{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.181425 0.639918 ] [ 0.5 0.818575 0.360082 ] [ 0.5 0.681425 0.860082 ] [ 0.5 0.318575 0.139918 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.292922 0.392753 ] [ 0.5 0.707078 0.607247 ] [ 0.5 0.792922 0.107247 ] [ 0.5 0.207078 0.892753 ] [ 0 0.428609 0.730918 ] [ 0 0.571391 0.269082 ] [ 0 0.928609 0.769082 ] [ 0 0.071391 0.230918 ] [ 0 0.5 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "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" 4.00528463 "source-unit" "angstrom" } "b" { "source-value" 5.46790763 "source-unit" "angstrom" } "c" { "source-value" 10.89304434 "source-unit" "angstrom" } }