{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.760055 0.844738 ] [ 0.5 0.239945 0.155262 ] [ 0 0.760055 0.155262 ] [ 0 0.239945 0.844738 ] [ 0 0.260055 0.344738 ] [ 0 0.739945 0.655262 ] [ 0.5 0.260055 0.655262 ] [ 0.5 0.739945 0.344738 ] [ 0 0.629514 0.890865 ] [ 0 0.370486 0.109135 ] [ 0.5 0.370486 0.890865 ] [ 0.5 0.629514 0.109135 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.5 0.129514 0.390865 ] [ 0.5 0.870486 0.609135 ] [ 0 0.870486 0.390865 ] [ 0 0.129514 0.609135 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.40563094221 "source-unit" "angstrom" } "b" { "source-value" 6.58610005042 "source-unit" "angstrom" } "c" { "source-value" 11.0968916532 "source-unit" "angstrom" } }