{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.623868 0.5 0.302924 ] [ 0.376132 0.5 0.697076 ] [ 0.144686 0 0.440927 ] [ 0.855314 0 0.559073 ] [ 0.5 0.5 0 ] [ 0.11868 0 0.275857 ] [ 0.88132 0 0.724143 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "B" "B" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72628294057 "source-unit" "angstrom" } "b" { "source-value" 3.79453864 "source-unit" "angstrom" } "c" { "source-value" 9.24489588926 "source-unit" "angstrom" } "beta" { "source-value" 99.9959940131 "source-unit" "degree" } }