{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.268234 0.866785 ] [ 0 0.731766 0.866785 ] [ 0.5 0.731766 0.133215 ] [ 0 0.268234 0.133215 ] [ 0 0.768234 0.366785 ] [ 0.5 0.231766 0.366785 ] [ 0 0.231766 0.633215 ] [ 0.5 0.768234 0.633215 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0 0.839151 0.09925 ] [ 0.5 0.160849 0.09925 ] [ 0 0.160849 0.90075 ] [ 0.5 0.839151 0.90075 ] [ 0.25 0 0.222375 ] [ 0.75 0 0.222375 ] [ 0.25 0 0.777625 ] [ 0.75 0 0.777625 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.339151 0.59925 ] [ 0 0.660849 0.59925 ] [ 0.5 0.660849 0.40075 ] [ 0 0.339151 0.40075 ] [ 0.75 0.5 0.722375 ] [ 0.25 0.5 0.722375 ] [ 0.75 0.5 0.277625 ] [ 0.25 0.5 0.277625 ] [ 0.75 0 0 ] [ 0 0.892924 0.64051 ] [ 0.5 0.892924 0.35949 ] [ 0 0.107076 0.35949 ] [ 0.25 0 0 ] [ 0.5 0.107076 0.64051 ] [ 0.25 0.5 0.5 ] [ 0.5 0.392924 0.14051 ] [ 0 0.392924 0.85949 ] [ 0.5 0.607076 0.85949 ] [ 0.75 0.5 0.5 ] [ 0 0.607076 0.14051 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07166545766 "source-unit" "angstrom" } "b" { "source-value" 10.1991478093 "source-unit" "angstrom" } "c" { "source-value" 12.1305992474 "source-unit" "angstrom" } }