{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.117714 0.289864 ] [ 0.75 0.882286 0.710136 ] [ 0.75 0.617714 0.210136 ] [ 0.25 0.382286 0.789864 ] [ 0.25 0.394533 0.072282 ] [ 0.75 0.605467 0.927718 ] [ 0.75 0.894533 0.427718 ] [ 0.25 0.105467 0.572282 ] [ 0.25 0.923704 0.90063 ] [ 0.75 0.076296 0.09937 ] [ 0.75 0.423704 0.59937 ] [ 0.25 0.576296 0.40063 ] [ 0.25 0.69437 0.650046 ] [ 0.75 0.30563 0.349954 ] [ 0.75 0.19437 0.849954 ] [ 0.25 0.80563 0.150046 ] [ 0.992307 0.171685 0.435965 ] [ 0.492307 0.828315 0.564035 ] [ 0.007693 0.671685 0.064035 ] [ 0.507693 0.328315 0.935965 ] [ 0.007693 0.828315 0.564035 ] [ 0.507693 0.171685 0.435965 ] [ 0.992307 0.328315 0.935965 ] [ 0.492307 0.671685 0.064035 ] [ 0.505229 0.353204 0.226152 ] [ 0.005229 0.646796 0.773848 ] [ 0.494771 0.853204 0.273848 ] [ 0.994771 0.146796 0.726152 ] [ 0.494771 0.646796 0.773848 ] [ 0.994771 0.353204 0.226152 ] [ 0.505229 0.146796 0.726152 ] [ 0.005229 0.853204 0.273848 ] [ 0.25 0.066378 0.098526 ] [ 0.75 0.933622 0.901474 ] [ 0.75 0.566378 0.401474 ] [ 0.25 0.433622 0.598526 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "O" "O" "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" 5.84281098 "source-unit" "angstrom" } "b" { "source-value" 7.30411495 "source-unit" "angstrom" } "c" { "source-value" 12.68675542 "source-unit" "angstrom" } }