{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.84959 0.177111 0.729183 ] [ 0.15041 0.822889 0.229183 ] [ 0.15041 0.177111 0.229183 ] [ 0.84959 0.822889 0.729183 ] [ 0.34959 0.677111 0.729183 ] [ 0.65041 0.322889 0.229183 ] [ 0.65041 0.677111 0.229183 ] [ 0.34959 0.322889 0.729183 ] [ 0.876624 0.219544 0.385105 ] [ 0.123376 0.780456 0.885105 ] [ 0.123376 0.219544 0.885105 ] [ 0.876624 0.780456 0.385105 ] [ 0.376624 0.719544 0.385105 ] [ 0.623376 0.280456 0.885105 ] [ 0.623376 0.719544 0.885105 ] [ 0.376624 0.280456 0.385105 ] [ 0.79068 0 0.778703 ] [ 0.20932 0 0.278703 ] [ 0.29068 0.5 0.778703 ] [ 0.70932 0.5 0.278703 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.54583203595 "source-unit" "angstrom" } "b" { "source-value" 8.9646659656 "source-unit" "angstrom" } "c" { "source-value" 4.8952927 "source-unit" "angstrom" } }