{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.580056 0.246534 0.878825 ] [ 0.419944 0.746534 0.121175 ] [ 0.919944 0.246534 0.378825 ] [ 0.080056 0.746534 0.621175 ] [ 0.404045 0.237051 0.801712 ] [ 0.595955 0.737051 0.198288 ] [ 0.095955 0.237051 0.301712 ] [ 0.904045 0.737051 0.698288 ] [ 0.375227 0.512779 0.811895 ] [ 0.624773 0.012779 0.188105 ] [ 0.124773 0.512779 0.311895 ] [ 0.875227 0.012779 0.688105 ] [ 0.60722 0.446301 0.908101 ] [ 0.39278 0.946301 0.091899 ] [ 0.89278 0.446301 0.408101 ] [ 0.10722 0.946301 0.591899 ] [ 0.71328 0.074766 0.921799 ] [ 0.28672 0.574766 0.078201 ] [ 0.78672 0.074766 0.421799 ] [ 0.21328 0.574766 0.578201 ] [ 0.869308 0.254782 0.0085 ] [ 0.130692 0.754782 0.9915 ] [ 0.630692 0.254782 0.5085 ] [ 0.369308 0.754782 0.4915 ] [ 0.533571 0.910186 0.828025 ] [ 0.466429 0.410186 0.171975 ] [ 0.966429 0.910186 0.328025 ] [ 0.033571 0.410186 0.671975 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" "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" 4.8194707 "source-unit" "angstrom" } "b" { "source-value" 8.70662465 "source-unit" "angstrom" } "c" { "source-value" 21.49395103 "source-unit" "angstrom" } }