{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.765773 0.396284 0.42077 ] [ 0.765773 0.396284 0.07923 ] [ 0.734227 0.896284 0.57923 ] [ 0.734227 0.896284 0.92077 ] [ 0.265773 0.103716 0.07923 ] [ 0.265773 0.103716 0.42077 ] [ 0.234227 0.603716 0.57923 ] [ 0.234227 0.603716 0.92077 ] [ 0.778161 0.353487 0.75 ] [ 0.721839 0.853487 0.25 ] [ 0.278161 0.146513 0.75 ] [ 0.221839 0.646513 0.25 ] [ 0.988538 0.778058 0.114743 ] [ 0.988538 0.778058 0.385257 ] [ 0.846013 0.629797 0.75 ] [ 0.653987 0.129797 0.25 ] [ 0.511462 0.278058 0.885257 ] [ 0.511462 0.278058 0.614743 ] [ 0.488538 0.721942 0.114743 ] [ 0.488538 0.721942 0.385257 ] [ 0.346013 0.870203 0.75 ] [ 0.153987 0.370203 0.25 ] [ 0.011462 0.221942 0.614743 ] [ 0.011462 0.221942 0.885257 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "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" 5.39298747 "source-unit" "angstrom" } "b" { "source-value" 6.10639932 "source-unit" "angstrom" } "c" { "source-value" 9.37397219 "source-unit" "angstrom" } }