{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2cb" } "basis-atom-coordinates" { "source-value" [ [ 0.492385 0.69367 0.436601 ] [ 0.492385 0.30633 0.563399 ] [ 0.492385 0.80633 0.936601 ] [ 0.492385 0.19367 0.063399 ] [ 0.248343 0.601976 0.17166 ] [ 0.248343 0.398024 0.82834 ] [ 0.248343 0.898024 0.67166 ] [ 0.248343 0.101976 0.32834 ] [ 0.773327 0.5 0.5 ] [ 0.773327 0 0 ] [ 0.165357 0.879363 0.374573 ] [ 0.165357 0.120637 0.625427 ] [ 0.165357 0.620637 0.874573 ] [ 0.165357 0.379363 0.125427 ] [ 0.4767 0.537409 0.29076 ] [ 0.4767 0.462591 0.70924 ] [ 0.565752 0.336549 0.915092 ] [ 0.565752 0.663451 0.084908 ] [ 0.565752 0.163451 0.415092 ] [ 0.565752 0.836549 0.584908 ] [ 0.4767 0.037409 0.20924 ] [ 0.4767 0.962591 0.79076 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "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" 4.29759924 "source-unit" "angstrom" } "b" { "source-value" 7.25735962 "source-unit" "angstrom" } "c" { "source-value" 11.5875028 "source-unit" "angstrom" } }