{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.708663 0.833596 0.282881 ] [ 0.208663 0.166404 0.217119 ] [ 0.208663 0.166404 0.782881 ] [ 0.708663 0.833596 0.717119 ] [ 0.871868 0.465696 0.288114 ] [ 0.371868 0.534304 0.211886 ] [ 0.371868 0.534304 0.788114 ] [ 0.871868 0.465696 0.711886 ] [ 0.161434 0.661495 0.5 ] [ 0.661434 0.338505 0 ] [ 0.876467 0.033302 0 ] [ 0.376467 0.966698 0.5 ] [ 0.390113 0.892999 0 ] [ 0.890113 0.107001 0.5 ] [ 0.998523 0.673423 0 ] [ 0.498523 0.326577 0.5 ] [ 0.700097 0.682127 0 ] [ 0.200097 0.317873 0.5 ] [ 0.093651 0.806835 0.20241 ] [ 0.593651 0.193165 0.29759 ] [ 0.593651 0.193165 0.70241 ] [ 0.093651 0.806835 0.79759 ] [ 0.577613 0.590321 0.5 ] [ 0.077613 0.409679 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Nb" "Nb" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.41650722 "source-unit" "angstrom" } "b" { "source-value" 9.2606881 "source-unit" "angstrom" } "c" { "source-value" 10.37270365 "source-unit" "angstrom" } }