{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.224087 0.752171 0.085494 ] [ 0.742289 0.509824 0.274098 ] [ 0.258059 0.49099 0.726264 ] [ 0.259027 0.009256 0.726613 ] [ 0.776878 0.249088 0.915748 ] [ 0.746063 0.994839 0.281311 ] [ 0.218823 0.246848 0.343938 ] [ 0.779709 0.750299 0.654376 ] [ 0.279025 0.752179 0.415523 ] [ 0.717349 0.245986 0.580346 ] [ 0.292732 0.247448 0.060957 ] [ 0.71121 0.754248 0.942546 ] [ 0.682997 0.761733 0.088239 ] [ 0.0639 0.250346 0.116792 ] [ 0.490318 0.241514 0.157465 ] [ 0.192497 0.935153 0.316382 ] [ 0.20912 0.561912 0.316845 ] [ 0.850699 0.235956 0.425217 ] [ 0.578345 0.761654 0.446295 ] [ 0.419706 0.248659 0.548874 ] [ 0.14358 0.74958 0.569279 ] [ 0.796796 0.435662 0.677436 ] [ 0.79211 0.06325 0.683108 ] [ 0.512867 0.750105 0.846836 ] [ 0.938611 0.750369 0.884217 ] [ 0.323202 0.250929 0.9158 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "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" 5.19011074 "source-unit" "angstrom" } "b" { "source-value" 6.61625364 "source-unit" "angstrom" } "c" { "source-value" 8.77295396 "source-unit" "angstrom" } "alpha" { "source-value" 90.52801115 "source-unit" "degree" } "beta" { "source-value" 91.94246067 "source-unit" "degree" } "gamma" { "source-value" 90.1132972 "source-unit" "degree" } }