{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.253923 0.262977 0.734119 ] [ 0.253923 0.737023 0.734119 ] [ 0.745638 0.759166 0.267651 ] [ 0.745638 0.240834 0.267651 ] [ 0.222694 0 0.080185 ] [ 0.777416 0 0.65407 ] [ 0.221633 0.5 0.345632 ] [ 0.721386 0.5 0.580755 ] [ 0.28216 0 0.417193 ] [ 0.711245 0 0.936622 ] [ 0.287637 0.5 0.068248 ] [ 0.316832 0.5 0.926807 ] [ 0.936771 0 0.87704 ] [ 0.510943 0 0.844164 ] [ 0.788216 0.312308 0.675754 ] [ 0.788216 0.687692 0.675754 ] [ 0.142285 0 0.568881 ] [ 0.423876 0.5 0.540858 ] [ 0.579094 0 0.45109 ] [ 0.864786 0.5 0.428488 ] [ 0.210357 0.81497 0.317121 ] [ 0.210357 0.18503 0.317121 ] [ 0.480279 0.5 0.166512 ] [ 0.061695 0.5 0.127831 ] [ 0.686053 0 0.081377 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "P" "P" "C" "C" "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" 5.18796804 "source-unit" "angstrom" } "b" { "source-value" 6.66840753 "source-unit" "angstrom" } "c" { "source-value" 8.82797775 "source-unit" "angstrom" } "beta" { "source-value" 91.62806509 "source-unit" "degree" } }