{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.494076 0.200493 ] [ 0.25 0.005924 0.700493 ] [ 0.75 0.994076 0.299507 ] [ 0.25 0.505924 0.799507 ] [ 0.25 0.180398 0.079456 ] [ 0.75 0.319602 0.579456 ] [ 0.25 0.680398 0.420544 ] [ 0.75 0.819602 0.920544 ] [ 0.25 0.793115 0.093412 ] [ 0.75 0.206885 0.906588 ] [ 0.25 0.293115 0.406588 ] [ 0.75 0.706885 0.593412 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "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" 4.60283901 "source-unit" "angstrom" } "b" { "source-value" 7.34507932 "source-unit" "angstrom" } "c" { "source-value" 7.78470382 "source-unit" "angstrom" } }