{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.113973 0 0.102587 ] [ 0.386027 0 0.602587 ] [ 0.613973 0 0.397413 ] [ 0.886027 0 0.897413 ] [ 0.613973 0.5 0.102587 ] [ 0.886027 0.5 0.602587 ] [ 0.113973 0.5 0.397413 ] [ 0.386027 0.5 0.897413 ] ] } "species" { "source-value" [ "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63995747306 "source-unit" "angstrom" } "b" { "source-value" 7.23504162461 "source-unit" "angstrom" } "c" { "source-value" 8.31724909 "source-unit" "angstrom" } }