{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.790792 0.272443 ] [ 0.5 0.209208 0.772443 ] [ 0 0.059349 0.306504 ] [ 0 0.940651 0.806504 ] [ 0 0.290792 0.272443 ] [ 0 0.709208 0.772443 ] [ 0.5 0.559349 0.306504 ] [ 0.5 0.440651 0.806504 ] [ 0 0.913678 0.17906 ] [ 0 0.086322 0.67906 ] [ 0 0.83042 0.549273 ] [ 0 0.16958 0.049273 ] [ 0.5 0.822681 0.903263 ] [ 0.5 0.177319 0.403263 ] [ 0.5 0.964716 0.501457 ] [ 0.5 0.035284 0.001457 ] [ 0.5 0.413678 0.17906 ] [ 0.5 0.586322 0.67906 ] [ 0.5 0.33042 0.549273 ] [ 0.5 0.66958 0.049273 ] [ 0 0.322681 0.903263 ] [ 0 0.677319 0.403263 ] [ 0 0.464716 0.501457 ] [ 0 0.535284 0.001457 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" 3.38993676601 "source-unit" "angstrom" } "b" { "source-value" 18.1086322664 "source-unit" "angstrom" } "c" { "source-value" 6.99468808 "source-unit" "angstrom" } }