{ "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" [ [ 0.62817 0.526402 0.325176 ] [ 0.12817 0.973598 0.674824 ] [ 0.37183 0.026402 0.174824 ] [ 0.87183 0.473598 0.825176 ] [ 0.37183 0.473598 0.674824 ] [ 0.87183 0.026402 0.325176 ] [ 0.62817 0.973598 0.825176 ] [ 0.12817 0.526402 0.174824 ] [ 0.854609 0.248342 0.088078 ] [ 0.354609 0.251658 0.911922 ] [ 0.145391 0.748342 0.411922 ] [ 0.645391 0.751658 0.588078 ] [ 0.145391 0.751658 0.911922 ] [ 0.645391 0.748342 0.088078 ] [ 0.854609 0.251658 0.588078 ] [ 0.354609 0.248342 0.411922 ] [ 0.512235 0.888441 0.382848 ] [ 0.012235 0.611559 0.617152 ] [ 0.487765 0.388441 0.117152 ] [ 0.987765 0.111559 0.882848 ] [ 0.487765 0.111559 0.617152 ] [ 0.987765 0.388441 0.382848 ] [ 0.512235 0.611559 0.882848 ] [ 0.012235 0.888441 0.117152 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.02769126 "source-unit" "angstrom" } "b" { "source-value" 7.18515453 "source-unit" "angstrom" } "c" { "source-value" 12.14447294 "source-unit" "angstrom" } }