{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.670893 0.225892 0.555306 ] [ 0.842848 0.271444 0.946954 ] [ 0.325631 0.105261 0.782034 ] [ 0.675263 0.562566 0.893739 ] [ 0.482746 0.161031 0.163868 ] [ 0.832465 0.60726 0.282737 ] [ 0.324737 0.437434 0.106261 ] [ 0.167218 0.053523 0.383541 ] [ 0.674369 0.894739 0.217966 ] [ 0.5 0.5 0.5 ] [ 0.99786 0.323958 0.32666 ] [ 0.832782 0.946477 0.616459 ] [ 0.329107 0.774108 0.444694 ] [ 0.167535 0.39274 0.717263 ] [ 0.517254 0.838969 0.836132 ] [ 0.00214 0.676042 0.67334 ] [ 0.157152 0.728556 0.053046 ] [ 0.902968 0.121946 0.456067 ] [ 0.577586 0.038325 0.694104 ] [ 0.925249 0.473469 0.805507 ] [ 0.727048 0.079209 0.09777 ] [ 0.577224 0.350418 0.006736 ] [ 0.754767 0.411091 0.419005 ] [ 0.273826 0.275835 0.264737 ] [ 0.912319 0.806096 0.1528 ] [ 0.600337 0.709467 0.358796 ] [ 0.399663 0.290533 0.641204 ] [ 0.245233 0.588909 0.580995 ] [ 0.087681 0.193904 0.8472 ] [ 0.726174 0.724165 0.735263 ] [ 0.422776 0.649582 0.993264 ] [ 0.272952 0.920791 0.90223 ] [ 0.074751 0.526531 0.194493 ] [ 0.422414 0.961675 0.305896 ] [ 0.097032 0.878054 0.543933 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83429538 "source-unit" "angstrom" } "b" { "source-value" 8.18172277 "source-unit" "angstrom" } "c" { "source-value" 8.23081672 "source-unit" "angstrom" } "alpha" { "source-value" 110.9337265 "source-unit" "degree" } "beta" { "source-value" 94.52320457 "source-unit" "degree" } "gamma" { "source-value" 114.2420194 "source-unit" "degree" } }