{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pca2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.501388 0.493371 0.239085 ] [ 0.501388 0.993371 0.760915 ] [ 0.001388 0.006629 0.239085 ] [ 0.001388 0.506629 0.760915 ] [ 0.383089 0.878898 0.37058 ] [ 0.883089 0.621102 0.37058 ] [ 0.383089 0.378898 0.62942 ] [ 0.883089 0.121102 0.62942 ] [ 0.622523 0.118711 0.12932 ] [ 0.122523 0.381289 0.12932 ] [ 0.122523 0.881289 0.87068 ] [ 0.622523 0.618711 0.87068 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "As" "As" "As" "As" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.57938872 "source-unit" "angstrom" } "b" { "source-value" 5.58590337 "source-unit" "angstrom" } "c" { "source-value" 5.5904416 "source-unit" "angstrom" } }