{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.003287 0.003287 0.003287 ] [ 0.496713 0.996713 0.503287 ] [ 0.503287 0.496713 0.996713 ] [ 0.996713 0.503287 0.496713 ] [ 0.623501 0.623501 0.623501 ] [ 0.876499 0.376499 0.123501 ] [ 0.123501 0.876499 0.376499 ] [ 0.376499 0.123501 0.876499 ] [ 0.378225 0.378225 0.378225 ] [ 0.121775 0.621775 0.878225 ] [ 0.878225 0.121775 0.621775 ] [ 0.621775 0.878225 0.121775 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.87065313 "source-unit" "angstrom" } }