{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.336629 0.579079 0.45035 ] [ 0.663371 0.420921 0.54965 ] [ 0.663371 0.079079 0.04965 ] [ 0.336629 0.920921 0.95035 ] [ 0.421356 0.436183 0.604752 ] [ 0.578644 0.563817 0.395248 ] [ 0.421356 0.063817 0.104752 ] [ 0.578644 0.936183 0.895248 ] [ 0.134127 0.04686 0.839427 ] [ 0.742233 0.339873 0.025098 ] [ 0.865873 0.95314 0.160573 ] [ 0.257767 0.839873 0.474902 ] [ 0.865873 0.54686 0.660573 ] [ 0.742233 0.160127 0.525098 ] [ 0.257767 0.660127 0.974902 ] [ 0.134127 0.45314 0.339427 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "S" "S" "S" "S" "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" 6.72108309148 "source-unit" "angstrom" } "b" { "source-value" 6.41134068 "source-unit" "angstrom" } "c" { "source-value" 10.2651118796 "source-unit" "angstrom" } "beta" { "source-value" 101.081997432 "source-unit" "degree" } }