{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.892538 0.25 ] [ 0 0.107462 0.75 ] [ 0.5 0.392538 0.25 ] [ 0.5 0.607462 0.75 ] [ 0.5 0.048912 0.25 ] [ 0.5 0.951088 0.75 ] [ 0.5 0.248777 0.75 ] [ 0.5 0.751223 0.25 ] [ 0 0.548912 0.25 ] [ 0 0.451088 0.75 ] [ 0 0.748777 0.75 ] [ 0 0.251223 0.25 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17545186199 "source-unit" "angstrom" } "b" { "source-value" 16.9107277979 "source-unit" "angstrom" } "c" { "source-value" 4.03193916 "source-unit" "angstrom" } }