{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.184062 0.854059 ] [ 0 0.315938 0.354059 ] [ 0 0.684062 0.645941 ] [ 0.5 0.815938 0.145941 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.37499265 "source-unit" "angstrom" } "b" { "source-value" 5.96554314 "source-unit" "angstrom" } "c" { "source-value" 6.654611 "source-unit" "angstrom" } }