{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.830384 0 ] [ 0 0.169616 0 ] [ 0.5 0.330384 0 ] [ 0.5 0.669616 0 ] [ 0.5 0.781712 0.5 ] [ 0.5 0.057078 0 ] [ 0.5 0.218288 0.5 ] [ 0.5 0.942922 0 ] [ 0 0.05742 0.5 ] [ 0 0.94258 0.5 ] [ 0 0.281712 0.5 ] [ 0 0.557078 0 ] [ 0 0.718288 0.5 ] [ 0 0.442922 0 ] [ 0.5 0.55742 0.5 ] [ 0.5 0.44258 0.5 ] [ 0.5 0.887839 0.5 ] [ 0.5 0.112161 0.5 ] [ 0 0.387839 0.5 ] [ 0 0.612161 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.86338170545 "source-unit" "angstrom" } "b" { "source-value" 20.7534596733 "source-unit" "angstrom" } "c" { "source-value" 3.82000589 "source-unit" "angstrom" } }