{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.949379 0.676222 0.81212 ] [ 0.550621 0.176222 0.68788 ] [ 0.449379 0.823778 0.31212 ] [ 0.050621 0.323778 0.18788 ] [ 0.813354 0.627174 0.985295 ] [ 0.679771 0.109159 0.886278 ] [ 0.273938 0.639327 0.839829 ] [ 0.927574 0.857825 0.792193 ] [ 0.572426 0.357825 0.707807 ] [ 0.226062 0.139327 0.660171 ] [ 0.820229 0.609159 0.613722 ] [ 0.686646 0.127174 0.514705 ] [ 0.313354 0.872826 0.485295 ] [ 0.179771 0.390841 0.386278 ] [ 0.773938 0.860673 0.339829 ] [ 0.427574 0.642175 0.292193 ] [ 0.072426 0.142175 0.207807 ] [ 0.726062 0.360673 0.160171 ] [ 0.320229 0.890841 0.113722 ] [ 0.186646 0.372826 0.014705 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "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" 4.76625762956 "source-unit" "angstrom" } "b" { "source-value" 8.61227672 "source-unit" "angstrom" } "c" { "source-value" 7.07022224956 "source-unit" "angstrom" } "beta" { "source-value" 99.9308189032 "source-unit" "degree" } }