{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.504189 0.75 0.224833 ] [ 0.495811 0.25 0.775167 ] [ 0.979368 0.25 0.278133 ] [ 0.020632 0.75 0.721867 ] [ 0.409508 0.25 0.096887 ] [ 0.919327 0.75 0.411966 ] [ 0.080673 0.25 0.588034 ] [ 0.590492 0.75 0.903113 ] [ 0.721697 0.75 0.037205 ] [ 0.73114 0.25 0.100977 ] [ 0.280308 0.04196 0.165908 ] [ 0.280308 0.45804 0.165908 ] [ 0.784517 0.546054 0.336922 ] [ 0.784517 0.953946 0.336922 ] [ 0.237693 0.75 0.415791 ] [ 0.210591 0.25 0.456872 ] [ 0.789409 0.75 0.543128 ] [ 0.762307 0.25 0.584209 ] [ 0.215483 0.046054 0.663078 ] [ 0.215483 0.453946 0.663078 ] [ 0.719692 0.54196 0.834092 ] [ 0.719692 0.95804 0.834092 ] [ 0.26886 0.75 0.899023 ] [ 0.278303 0.25 0.962795 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.78327946 "source-unit" "angstrom" } "b" { "source-value" 5.97993895 "source-unit" "angstrom" } "c" { "source-value" 10.69967871 "source-unit" "angstrom" } "beta" { "source-value" 91.74562395 "source-unit" "degree" } }