{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.539602 0.616522 0.633707 ] [ 0.039602 0.883478 0.366293 ] [ 0.460398 0.116522 0.866293 ] [ 0.960398 0.383478 0.133707 ] [ 0.460398 0.383478 0.366293 ] [ 0.960398 0.116522 0.633707 ] [ 0.539602 0.883478 0.133707 ] [ 0.039602 0.616522 0.866293 ] [ 0.136774 0.073849 0.101513 ] [ 0.636774 0.426151 0.898487 ] [ 0.863226 0.573849 0.398487 ] [ 0.363226 0.926151 0.601513 ] [ 0.863226 0.926151 0.898487 ] [ 0.363226 0.573849 0.101513 ] [ 0.136774 0.426151 0.601513 ] [ 0.636774 0.073849 0.398487 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "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" 5.74960626 "source-unit" "angstrom" } "b" { "source-value" 7.33919281 "source-unit" "angstrom" } "c" { "source-value" 7.65920913 "source-unit" "angstrom" } }