{ "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" [ [ 0.361751 0.932861 0.15575 ] [ 0.638249 0.067139 0.84425 ] [ 0.638249 0.432861 0.34425 ] [ 0.361751 0.567139 0.65575 ] [ 0.151293 0.600115 0.234734 ] [ 0.848707 0.100115 0.265266 ] [ 0.866015 0.778223 0.572195 ] [ 0.848707 0.399885 0.765266 ] [ 0.133985 0.278223 0.927805 ] [ 0.866015 0.721777 0.072195 ] [ 0.151293 0.899885 0.734734 ] [ 0.133985 0.221777 0.427805 ] [ 0.738659 0.666004 0.978917 ] [ 0.635108 0.781745 0.132771 ] [ 0.04796 0.454692 0.693584 ] [ 0.95204 0.954692 0.806416 ] [ 0.22632 0.73569 0.74939 ] [ 0.22632 0.76431 0.24939 ] [ 0.04796 0.045308 0.193584 ] [ 0.525826 0.553351 0.414117 ] [ 0.364892 0.281745 0.367229 ] [ 0.102663 0.83603 0.062782 ] [ 0.998127 0.581188 0.131381 ] [ 0.364892 0.218255 0.867229 ] [ 0.001873 0.418812 0.868619 ] [ 0.897337 0.33603 0.437218 ] [ 0.738659 0.833996 0.478917 ] [ 0.001873 0.081188 0.368619 ] [ 0.102663 0.66397 0.562782 ] [ 0.41198 0.002732 0.734407 ] [ 0.58802 0.502732 0.765593 ] [ 0.58802 0.997268 0.265593 ] [ 0.95204 0.545308 0.306416 ] [ 0.77368 0.26431 0.25061 ] [ 0.261341 0.166004 0.521083 ] [ 0.635108 0.718255 0.632771 ] [ 0.525826 0.946649 0.914117 ] [ 0.261341 0.333996 0.021083 ] [ 0.998127 0.918812 0.631381 ] [ 0.897337 0.16397 0.937218 ] [ 0.77368 0.23569 0.75061 ] [ 0.474174 0.053351 0.085883 ] [ 0.474174 0.446649 0.585883 ] [ 0.41198 0.497268 0.234407 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.77606624 "source-unit" "angstrom" } "b" { "source-value" 8.94663977 "source-unit" "angstrom" } "c" { "source-value" 14.34762844 "source-unit" "angstrom" } "beta" { "source-value" 93.93837988 "source-unit" "degree" } }