perovskites_data/processed_data.csv

perovskite_formula,current_density,repetition_index,VRHE,RA,RB,t,mu,QA,Nd,XA,XB,mu_t
LaMnO3,0.05,rep1,1.679,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep2,1.678,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep3,1.68,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep4,1.68,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep5,1.682,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep6,1.68,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep7,1.679,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep8,1.678,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep9,1.9,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep10,1.802,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep11,1.806,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,0.05,rep12,1.8,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMn0.5Ni0.5O3,0.05,rep1,1.632,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep2,1.628,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep3,1.628,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep4,1.632,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep5,1.631,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep6,1.632,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep7,1.63,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep8,1.629,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep9,1.833,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep10,1.731,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep11,1.72,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,0.05,rep12,1.724,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaNiO3,0.05,rep1,1.64,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep2,1.642,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep3,1.64,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep4,1.641,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep5,1.636,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep6,1.639,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep7,1.638,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep8,1.639,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep9,1.804,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep10,1.691,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep11,1.7,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,0.05,rep12,1.717,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaMn0.5Cu0.5O3,0.05,rep1,1.689,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep2,1.687,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep3,1.69,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep4,1.687,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep5,1.692,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep6,1.689,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep7,1.69,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep8,1.693,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep9,1.901,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep10,1.771,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep11,1.765,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,0.05,rep12,1.783,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaNi0.9Fe0.1O3,0.05,rep1,1.6,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep2,1.596,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep3,1.597,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep4,1.604,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep5,1.6,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep6,1.596,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep7,1.602,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep8,1.597,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep9,1.855,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep10,1.788,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep11,1.77,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,0.05,rep12,1.79,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.8Fe0.2O3,0.05,rep1,1.588,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep2,1.591,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep3,1.591,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep4,1.587,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep5,1.588,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep6,1.592,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep7,1.592,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep8,1.59,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep9,1.833,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep10,1.756,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep11,1.77,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,0.05,rep12,1.748,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaFeO3,0.05,rep1,1.629,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep2,1.63,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep3,1.628,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep4,1.63,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep5,1.631,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep6,1.629,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep7,1.631,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep8,1.631,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep9,1.787,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep10,1.759,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep11,1.765,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,0.05,rep12,1.752,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
La0.5Pr0.5FeO3,0.05,rep1,1.611,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep2,1.611,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep3,1.608,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep4,1.611,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep5,1.61,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep6,1.612,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep7,1.61,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep8,1.609,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep9,1.777,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep10,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep11,1.722,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,0.05,rep12,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
PrFeO3,0.05,rep1,1.619,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep2,1.621,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep3,1.619,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep4,1.619,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep5,1.621,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep6,1.619,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep7,1.62,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep8,1.621,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep9,1.798,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep10,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep11,1.76,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,0.05,rep12,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
LaCoO3,0.05,rep1,1.598,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep2,1.603,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep3,1.597,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep4,1.6,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep5,1.597,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep6,1.602,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep7,1.6,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep8,1.602,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep9,1.799,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep10,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep11,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,0.05,rep12,1.73,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
La0.5Ca0.5CoO3,0.05,rep1,1.562,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep2,1.56,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep3,1.561,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep4,1.562,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep5,1.562,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep6,1.561,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep7,1.561,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep8,1.56,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep9,1.74,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep10,1.679,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep11,1.68,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,0.05,rep12,1.683,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.8Sr0.2CoO3,0.05,rep1,1.57,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep2,1.569,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep3,1.571,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep4,1.568,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep5,1.571,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep6,1.569,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep7,1.567,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep8,1.567,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep9,1.769,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep10,1.681,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep11,1.698,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,0.05,rep12,1.686,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep1,1.555,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep2,1.545,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep3,1.555,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep4,1.548,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep5,1.549,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep6,1.545,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep7,1.55,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep8,1.546,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep9,1.769,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep10,1.714,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep11,1.728,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,0.05,rep12,1.71,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
La0.4Sr0.6CoO3,0.05,rep1,1.522,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep2,1.524,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep3,1.514,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep4,1.512,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep5,1.526,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep6,1.512,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep7,1.525,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep8,1.517,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep9,1.742,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep10,1.726,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep11,1.714,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,0.05,rep12,1.713,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.2Sr0.8CoO3,0.05,rep1,1.551,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep2,1.554,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep3,1.554,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep4,1.554,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep5,1.554,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep6,1.546,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep7,1.552,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep8,1.555,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep9,1.75,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep10,1.698,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep11,1.667,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,0.05,rep12,1.664,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
SrCoO3,0.05,rep1,1.483,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep2,1.48,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep3,1.479,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep4,1.48,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep5,1.477,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep6,1.481,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep7,1.481,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep8,1.478,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep9,1.762,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep10,1.676,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep11,1.677,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,0.05,rep12,1.662,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep1,1.515,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep2,1.512,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep3,1.508,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep4,1.508,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep5,1.505,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep6,1.511,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep7,1.508,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep8,1.511,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep9,1.671,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep10,1.652,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep11,1.622,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,0.05,rep12,1.662,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
BaFeO3,0.05,rep1,1.402,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep2,1.402,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep3,1.4,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep4,1.398,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep5,1.401,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep6,1.4,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep7,1.402,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep8,1.401,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep9,1.739,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep10,1.69,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep11,1.678,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,0.05,rep12,1.964,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
LaMnO3,5.0,rep1,1.77,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep2,1.806,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep3,1.788,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep4,1.775,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep5,1.792,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep6,1.79,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep7,1.778,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep8,1.79,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep9,1.802,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep10,1.802,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep11,1.806,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,5.0,rep12,1.8,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMn0.5Ni0.5O3,5.0,rep1,1.712,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep2,1.732,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep3,1.722,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep4,1.719,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep5,1.726,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep6,1.732,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep7,1.716,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep8,1.722,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep9,1.717,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep10,1.731,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep11,1.72,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,5.0,rep12,1.724,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaNiO3,5.0,rep1,1.69,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep2,1.724,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep3,1.707,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep4,1.711,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep5,1.72,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep6,1.723,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep7,1.694,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep8,1.71,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep9,1.707,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep10,1.691,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep11,1.7,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,5.0,rep12,1.717,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaMn0.5Cu0.5O3,5.0,rep1,1.762,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep2,1.791,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep3,1.774,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep4,1.79,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep5,1.769,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep6,1.76,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep7,1.786,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep8,1.777,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep9,1.765,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep10,1.771,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep11,1.765,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,5.0,rep12,1.783,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaNi0.9Fe0.1O3,5.0,rep1,1.77,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep2,1.809,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep3,1.79,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep4,1.798,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep5,1.795,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep6,1.788,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep7,1.795,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep8,1.795,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep9,1.802,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep10,1.788,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep11,1.77,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,5.0,rep12,1.79,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.8Fe0.2O3,5.0,rep1,1.737,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep2,1.78,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep3,1.759,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep4,1.749,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep5,1.761,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep6,1.747,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep7,1.761,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep8,1.742,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep9,1.737,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep10,1.756,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep11,1.77,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,5.0,rep12,1.748,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaFeO3,5.0,rep1,1.75,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep2,1.766,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep3,1.758,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep4,1.76,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep5,1.764,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep6,1.757,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep7,1.759,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep8,1.755,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep9,1.764,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep10,1.759,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep11,1.765,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,5.0,rep12,1.752,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
La0.5Pr0.5FeO3,5.0,rep1,1.716,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep2,1.733,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep3,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep4,1.726,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep5,1.727,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep6,1.728,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep7,1.728,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep8,1.722,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep9,1.719,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep10,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep11,1.722,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,5.0,rep12,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
PrFeO3,5.0,rep1,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep2,1.763,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep3,1.758,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep4,1.755,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep5,1.753,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep6,1.757,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep7,1.754,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep8,1.753,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep9,1.758,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep10,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep11,1.76,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,5.0,rep12,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
LaCoO3,5.0,rep1,1.708,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep2,1.734,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep3,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep4,1.728,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep5,1.718,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep6,1.712,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep7,1.716,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep8,1.722,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep9,1.716,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep10,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep11,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,5.0,rep12,1.73,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
La0.5Ca0.5CoO3,5.0,rep1,1.674,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep2,1.688,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep3,1.682,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep4,1.685,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep5,1.676,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep6,1.681,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep7,1.685,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep8,1.683,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep9,1.683,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep10,1.679,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep11,1.68,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,5.0,rep12,1.683,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.8Sr0.2CoO3,5.0,rep1,1.677,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep2,1.699,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep3,1.688,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep4,1.689,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep5,1.684,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep6,1.689,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep7,1.694,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep8,1.687,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep9,1.678,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep10,1.681,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep11,1.698,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,5.0,rep12,1.686,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep1,1.695,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep2,1.741,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep3,1.718,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep4,1.73,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep5,1.733,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep6,1.703,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep7,1.728,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep8,1.722,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep9,1.701,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep10,1.714,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep11,1.728,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,5.0,rep12,1.71,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
La0.4Sr0.6CoO3,5.0,rep1,1.66,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep2,1.73,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep3,1.695,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep4,1.694,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep5,1.691,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep6,1.663,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep7,1.715,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep8,1.706,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep9,1.685,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep10,1.726,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep11,1.714,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,5.0,rep12,1.713,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.2Sr0.8CoO3,5.0,rep1,1.661,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep2,1.7,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep3,1.681,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep4,1.675,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep5,1.691,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep6,1.662,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep7,1.683,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep8,1.699,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep9,1.682,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep10,1.698,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep11,1.667,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,5.0,rep12,1.664,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
SrCoO3,5.0,rep1,1.658,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep2,1.682,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep3,1.67,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep4,1.675,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep5,1.671,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep6,1.666,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep7,1.672,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep8,1.662,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep9,1.669,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep10,1.676,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep11,1.677,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,5.0,rep12,1.662,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep1,1.614,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep2,1.663,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep3,1.639,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep4,1.628,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep5,1.622,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep6,1.624,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep7,1.646,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep8,1.653,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep9,1.634,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep10,1.652,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep11,1.622,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,5.0,rep12,1.662,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
BaFeO3,5.0,rep1,1.676,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep2,1.696,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep3,1.686,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep4,1.69,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep5,1.686,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep6,1.69,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep7,1.679,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep8,1.687,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep9,1.688,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep10,1.69,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep11,1.678,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,5.0,rep12,1.964,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
LaMnO3,10.0,rep1,1.906,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep2,1.903,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep3,1.89,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep4,1.898,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep5,1.909,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep6,1.892,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep7,1.907,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep8,1.908,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep9,1.9,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep10,1.802,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep11,1.806,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,10.0,rep12,1.8,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMn0.5Ni0.5O3,10.0,rep1,1.833,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep2,1.833,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep3,1.824,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep4,1.824,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep5,1.834,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep6,1.83,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep7,1.833,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep8,1.835,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep9,1.833,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep10,1.731,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep11,1.72,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,10.0,rep12,1.724,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaNiO3,10.0,rep1,1.808,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep2,1.811,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep3,1.799,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep4,1.802,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep5,1.812,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep6,1.811,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep7,1.806,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep8,1.8,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep9,1.804,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep10,1.691,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep11,1.7,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,10.0,rep12,1.717,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaMn0.5Cu0.5O3,10.0,rep1,1.895,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep2,1.894,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep3,1.903,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep4,1.91,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep5,1.898,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep6,1.903,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep7,1.908,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep8,1.895,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep9,1.901,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep10,1.771,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep11,1.765,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,10.0,rep12,1.783,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaNi0.9Fe0.1O3,10.0,rep1,1.84,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep2,1.863,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep3,1.852,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep4,1.844,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep5,1.841,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep6,1.846,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep7,1.86,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep8,1.849,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep9,1.855,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep10,1.788,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep11,1.77,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,10.0,rep12,1.79,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.8Fe0.2O3,10.0,rep1,1.834,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep2,1.835,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep3,1.841,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep4,1.836,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep5,1.825,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep6,1.844,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep7,1.833,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep8,1.821,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep9,1.833,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep10,1.756,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep11,1.77,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,10.0,rep12,1.748,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaFeO3,10.0,rep1,1.791,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep2,1.789,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep3,1.787,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep4,1.796,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep5,1.787,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep6,1.796,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep7,1.792,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep8,1.791,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep9,1.787,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep10,1.759,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep11,1.765,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,10.0,rep12,1.752,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
La0.5Pr0.5FeO3,10.0,rep1,1.777,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep2,1.776,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep3,1.781,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep4,1.774,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep5,1.776,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep6,1.774,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep7,1.776,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep8,1.782,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep9,1.777,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep10,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep11,1.722,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,10.0,rep12,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
PrFeO3,10.0,rep1,1.796,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep2,1.796,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep3,1.8,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep4,1.799,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep5,1.797,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep6,1.796,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep7,1.798,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep8,1.799,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep9,1.798,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep10,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep11,1.76,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,10.0,rep12,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
LaCoO3,10.0,rep1,1.797,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep2,1.8,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep3,1.81,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep4,1.805,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep5,1.81,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep6,1.808,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep7,1.801,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep8,1.809,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep9,1.799,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep10,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep11,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,10.0,rep12,1.73,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
La0.5Ca0.5CoO3,10.0,rep1,1.744,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep2,1.738,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep3,1.742,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep4,1.74,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep5,1.737,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep6,1.738,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep7,1.74,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep8,1.741,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep9,1.74,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep10,1.679,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep11,1.68,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,10.0,rep12,1.683,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.8Sr0.2CoO3,10.0,rep1,1.768,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep2,1.766,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep3,1.77,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep4,1.767,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep5,1.765,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep6,1.768,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep7,1.77,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep8,1.758,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep9,1.769,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep10,1.681,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep11,1.698,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,10.0,rep12,1.686,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep1,1.773,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep2,1.767,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep3,1.767,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep4,1.776,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep5,1.766,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep6,1.781,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep7,1.771,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep8,1.773,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep9,1.769,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep10,1.714,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep11,1.728,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,10.0,rep12,1.71,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
La0.4Sr0.6CoO3,10.0,rep1,1.731,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep2,1.749,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep3,1.727,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep4,1.763,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep5,1.729,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep6,1.746,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep7,1.736,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep8,1.737,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep9,1.742,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep10,1.726,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep11,1.714,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,10.0,rep12,1.713,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.2Sr0.8CoO3,10.0,rep1,1.732,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep2,1.739,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep3,1.747,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep4,1.752,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep5,1.733,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep6,1.736,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep7,1.738,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep8,1.749,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep9,1.75,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep10,1.698,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep11,1.667,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,10.0,rep12,1.664,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
SrCoO3,10.0,rep1,1.755,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep2,1.76,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep3,1.762,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep4,1.759,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep5,1.765,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep6,1.762,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep7,1.754,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep8,1.753,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep9,1.762,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep10,1.676,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep11,1.677,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,10.0,rep12,1.662,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep1,1.649,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep2,1.664,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep3,1.678,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep4,1.672,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep5,1.662,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep6,1.659,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep7,1.666,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep8,1.668,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep9,1.671,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep10,1.652,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep11,1.622,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,10.0,rep12,1.662,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
BaFeO3,10.0,rep1,1.746,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep2,1.737,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep3,1.746,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep4,1.739,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep5,1.739,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep6,1.746,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep7,1.746,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep8,1.738,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep9,1.739,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep10,1.69,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep11,1.678,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,10.0,rep12,1.964,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
LaMnO3,15.0,rep1,2.337,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep2,2.334,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep3,2.342,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep4,2.348,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep5,2.341,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep6,2.339,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep7,2.336,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep8,2.343,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep9,2.335,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep10,2.338,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep11,2.342,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,15.0,rep12,2.339,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMn0.5Ni0.5O3,15.0,rep1,1.968,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep2,1.97,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep3,1.969,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep4,1.971,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep5,1.975,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep6,1.969,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep7,1.976,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep8,1.968,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep9,1.976,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep10,1.97,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep11,1.97,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,15.0,rep12,1.975,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaNiO3,15.0,rep1,1.947,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep2,1.937,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep3,1.943,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep4,1.942,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep5,1.943,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep6,1.938,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep7,1.934,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep8,1.949,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep9,1.938,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep10,1.948,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep11,1.937,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,15.0,rep12,1.947,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaMn0.5Cu0.5O3,15.0,rep1,2.124,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep2,2.133,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep3,2.131,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep4,2.134,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep5,2.125,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep6,2.125,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep7,2.126,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep8,2.126,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep9,2.132,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep10,2.136,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep11,2.128,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,15.0,rep12,2.131,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaNi0.9Fe0.1O3,15.0,rep1,1.895,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep2,1.896,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep3,1.9,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep4,1.892,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep5,1.898,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep6,1.89,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep7,1.901,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep8,1.895,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep9,1.898,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep10,1.902,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep11,1.887,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,15.0,rep12,1.889,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.8Fe0.2O3,15.0,rep1,1.866,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep2,1.861,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep3,1.871,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep4,1.863,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep5,1.877,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep6,1.87,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep7,1.86,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep8,1.864,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep9,1.878,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep10,1.868,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep11,1.869,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,15.0,rep12,1.867,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaFeO3,15.0,rep1,1.847,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep2,1.851,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep3,1.849,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep4,1.851,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep5,1.847,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep6,1.854,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep7,1.85,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep8,1.852,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep9,1.853,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep10,1.848,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep11,1.848,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,15.0,rep12,1.849,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
La0.5Pr0.5FeO3,15.0,rep1,1.835,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep2,1.832,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep3,1.834,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep4,1.834,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep5,1.835,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep6,1.833,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep7,1.835,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep8,1.832,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep9,1.832,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep10,1.836,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep11,1.837,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,15.0,rep12,1.831,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
PrFeO3,15.0,rep1,1.85,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep2,1.849,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep3,1.85,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep4,1.852,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep5,1.85,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep6,1.852,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep7,1.85,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep8,1.853,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep9,1.852,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep10,1.853,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep11,1.851,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,15.0,rep12,1.851,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
LaCoO3,15.0,rep1,1.896,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep2,1.895,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep3,1.888,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep4,1.899,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep5,1.897,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep6,1.898,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep7,1.887,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep8,1.891,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep9,1.895,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep10,1.888,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep11,1.893,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,15.0,rep12,1.895,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
La0.5Ca0.5CoO3,15.0,rep1,1.82,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep2,1.825,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep3,1.822,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep4,1.821,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep5,1.824,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep6,1.823,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep7,1.826,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep8,1.823,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep9,1.824,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep10,1.821,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep11,1.821,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,15.0,rep12,1.821,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.8Sr0.2CoO3,15.0,rep1,1.915,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep2,1.906,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep3,1.913,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep4,1.91,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep5,1.91,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep6,1.913,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep7,1.915,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep8,1.912,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep9,1.908,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep10,1.912,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep11,1.913,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,15.0,rep12,1.915,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep1,1.84,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep2,1.84,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep3,1.843,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep4,1.857,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep5,1.853,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep6,1.85,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep7,1.846,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep8,1.859,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep9,1.859,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep10,1.841,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep11,1.852,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,15.0,rep12,1.848,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
La0.4Sr0.6CoO3,15.0,rep1,1.815,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep2,1.829,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep3,1.827,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep4,1.838,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep5,1.831,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep6,1.843,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep7,1.83,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep8,1.821,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep9,1.815,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep10,1.828,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep11,1.822,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,15.0,rep12,1.844,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.2Sr0.8CoO3,15.0,rep1,1.823,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep2,1.83,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep3,1.829,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep4,1.822,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep5,1.815,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep6,1.819,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep7,1.829,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep8,1.814,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep9,1.824,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep10,1.821,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep11,1.82,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,15.0,rep12,1.83,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
SrCoO3,15.0,rep1,1.875,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep2,1.875,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep3,1.868,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep4,1.872,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep5,1.866,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep6,1.869,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep7,1.87,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep8,1.867,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep9,1.867,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep10,1.874,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep11,1.873,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,15.0,rep12,1.87,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep1,1.695,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep2,1.692,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep3,1.704,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep4,1.711,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep5,1.701,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep6,1.699,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep7,1.697,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep8,1.706,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep9,1.693,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep10,1.709,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep11,1.702,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,15.0,rep12,1.69,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
BaFeO3,15.0,rep1,1.8,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep2,1.797,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep3,1.804,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep4,1.802,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep5,1.8,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep6,1.797,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep7,1.804,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep8,1.8,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep9,1.8,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep10,1.804,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep11,1.805,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,15.0,rep12,1.8,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
LaMnO3,20.0,rep1,2.656,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep2,2.66,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep3,2.65,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep4,2.651,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep5,2.657,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep6,2.652,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep7,2.657,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep8,2.652,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep9,1.9,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep10,1.802,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep11,1.806,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMnO3,20.0,rep12,1.8,1.36,0.58,0.992880506,0.42962963,3.0,4.0,1.1,1.55,0.432710308
LaMn0.5Ni0.5O3,20.0,rep1,2.14,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep2,2.142,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep3,2.143,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep4,2.141,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep5,2.143,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep6,2.141,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep7,2.146,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep8,2.143,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep9,1.833,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep10,1.731,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep11,1.72,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaMn0.5Ni0.5O3,20.0,rep12,1.724,1.36,0.57,0.998051759,0.422222222,3.0,5.5,1.1,1.73,0.423046419
LaNiO3,20.0,rep1,2.106,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep2,2.113,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep3,2.111,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep4,2.11,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep5,2.111,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep6,2.108,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep7,2.117,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep8,2.115,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep9,1.804,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep10,1.691,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep11,1.7,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaNiO3,20.0,rep12,1.717,1.36,0.56,1.003277161,0.414814815,3.0,7.0,1.1,1.91,0.41345984
LaMn0.5Cu0.5O3,20.0,rep1,2.347,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep2,2.344,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep3,2.348,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep4,2.352,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep5,2.345,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep6,2.353,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep7,2.344,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep8,2.347,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep9,1.901,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep10,1.771,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep11,1.765,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaMn0.5Cu0.5O3,20.0,rep12,1.783,1.36,0.59,0.987762565,0.437037037,3.0,6.0,1.1,1.725,0.442451508
LaNi0.9Fe0.1O3,20.0,rep1,1.955,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep2,1.957,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep3,1.953,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep4,1.953,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep5,1.959,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep6,1.957,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep7,1.946,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep8,1.947,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep9,1.855,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep10,1.788,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep11,1.77,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.9Fe0.1O3,20.0,rep12,1.79,1.36,0.559,1.003802712,0.414074074,3.0,6.8,1.1,1.902,0.412505435
LaNi0.8Fe0.2O3,20.0,rep1,1.93,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep2,1.93,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep3,1.926,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep4,1.932,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep5,1.935,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep6,1.937,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep7,1.939,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep8,1.929,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep9,1.833,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep10,1.756,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep11,1.77,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaNi0.8Fe0.2O3,20.0,rep12,1.748,1.36,0.558,1.004328814,0.413333333,3.0,6.6,1.1,1.894,0.411551802
LaFeO3,20.0,rep1,1.902,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep2,1.901,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep3,1.901,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep4,1.9,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep5,1.899,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep6,1.902,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep7,1.905,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep8,1.902,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep9,1.787,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep10,1.759,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep11,1.765,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
LaFeO3,20.0,rep12,1.752,1.36,0.55,1.008557567,0.407407407,3.0,5.0,1.1,1.83,0.403950573
La0.5Pr0.5FeO3,20.0,rep1,1.891,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep2,1.893,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep3,1.893,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep4,1.891,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep5,1.892,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep6,1.89,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep7,1.891,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep8,1.891,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep9,1.777,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep10,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep11,1.722,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
La0.5Pr0.5FeO3,20.0,rep12,1.725,1.365,0.55,1.010418374,0.407407407,3.0,5.0,1.115,1.83,0.40320665
PrFeO3,20.0,rep1,1.903,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep2,1.9,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep3,1.901,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep4,1.9,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep5,1.9,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep6,1.902,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep7,1.901,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep8,1.901,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep9,1.798,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep10,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep11,1.76,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
PrFeO3,20.0,rep12,1.752,1.37,0.55,1.012279181,0.407407407,3.0,5.0,1.13,1.83,0.402465461
LaCoO3,20.0,rep1,1.988,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep2,1.992,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep3,1.99,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep4,1.99,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep5,1.987,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep6,1.992,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep7,1.987,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep8,1.989,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep9,1.799,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep10,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep11,1.721,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
LaCoO3,20.0,rep12,1.73,1.36,0.545,1.011218669,0.403703704,3.0,6.0,1.1,1.88,0.399224931
La0.5Ca0.5CoO3,20.0,rep1,1.898,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep2,1.899,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep3,1.901,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep4,1.899,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep5,1.902,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep6,1.901,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep7,1.901,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep8,1.901,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep9,1.74,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep10,1.679,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep11,1.68,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.5Ca0.5CoO3,20.0,rep12,1.683,1.35,0.5375,1.011490495,0.398148148,2.5,5.5,1.05,1.88,0.3936252
La0.8Sr0.2CoO3,20.0,rep1,2.095,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep2,2.089,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep3,2.093,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep4,2.094,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep5,2.092,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep6,2.093,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep7,2.092,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep8,2.088,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep9,1.769,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep10,1.681,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep11,1.698,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
La0.8Sr0.2CoO3,20.0,rep12,1.686,1.376,0.542,1.018801842,0.401481481,2.8,5.8,1.07,1.88,0.394072198
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep1,1.928,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep2,1.938,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep3,1.936,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep4,1.933,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep5,1.935,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep6,1.94,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep7,1.925,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep8,1.931,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep9,1.769,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep10,1.714,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep11,1.728,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
Sr0.25La0.75Fe0.5Co0.5O3,20.0,rep12,1.71,1.38,0.5415,1.020566488,0.401111111,2.75,5.25,1.0625,1.855,0.393027907
La0.4Sr0.6CoO3,20.0,rep1,1.924,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep2,1.91,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep3,1.914,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep4,1.918,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep5,1.913,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep6,1.906,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep7,1.909,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep8,1.907,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep9,1.742,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep10,1.726,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep11,1.714,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.4Sr0.6CoO3,20.0,rep12,1.713,1.408,0.536,1.034040563,0.397037037,2.4,5.4,1.01,1.88,0.383966598
La0.2Sr0.8CoO3,20.0,rep1,1.895,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep2,1.905,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep3,1.906,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep4,1.9,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep5,1.896,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep6,1.898,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep7,1.906,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep8,1.902,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep9,1.75,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep10,1.698,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep11,1.667,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
La0.2Sr0.8CoO3,20.0,rep12,1.664,1.424,0.533,1.041696341,0.394814815,2.2,5.2,0.98,1.88,0.379011425
SrCoO3,20.0,rep1,1.965,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep2,1.958,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep3,1.961,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep4,1.961,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep5,1.959,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep6,1.961,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep7,1.966,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep8,1.963,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep9,1.762,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep10,1.676,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep11,1.677,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
SrCoO3,20.0,rep12,1.662,1.44,0.53,1.049376553,0.392592593,2.0,5.0,0.95,1.88,0.374119844
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep1,1.732,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep2,1.735,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep3,1.736,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep4,1.737,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep5,1.742,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep6,1.727,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep7,1.74,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep8,1.737,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep9,1.671,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep10,1.652,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep11,1.622,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
Ba0.5Sr0.5Co0.8Fe0.2O3,20.0,rep12,1.662,1.525,0.528,1.0824984,0.391111111,2.0,4.8,0.92,1.87,0.361304101
BaFeO3,20.0,rep1,1.881,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep2,1.879,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep3,1.883,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep4,1.882,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep5,1.879,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep6,1.877,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep7,1.878,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep8,1.878,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep9,1.739,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep10,1.69,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep11,1.678,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456
BaFeO3,20.0,rep12,1.964,1.61,0.52,1.119270627,0.385185185,2.0,4.0,0.89,1.83,0.344139456