{ "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 0.149137 0.845868 ] [ 0.25 0.850863 0.154132 ] [ 0.25 0.350863 0.345868 ] [ 0.75 0.649137 0.654132 ] [ 0.25 0.998576 0.676162 ] [ 0.75 0.501424 0.176162 ] [ 0.75 0.001424 0.323838 ] [ 0.25 0.498576 0.823838 ] [ 0.75 0.343127 0.549505 ] [ 0.25 0.656873 0.450495 ] [ 0.75 0.843127 0.950495 ] [ 0.25 0.156873 0.049505 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51838908 "source-unit" "angstrom" } "b" { "source-value" 8.95723072 "source-unit" "angstrom" } "c" { "source-value" 10.87950155 "source-unit" "angstrom" } }