{ "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" [ [ 0.743224 0.385905 0.18262 ] [ 0.004649 0.003347 0.993746 ] [ 0.001108 0.998432 0.502437 ] [ 0.678449 0.36067 0.756774 ] [ 0.318107 0.64405 0.242501 ] [ 0.357053 0.220913 0.910253 ] [ 0.75177 0.22191 0.599673 ] [ 0.694692 0.65927 0.66293 ] [ 0.116868 0.669208 0.123314 ] [ 0.848091 0.31237 0.900532 ] [ 0.315147 0.343182 0.336414 ] [ 0.261012 0.791298 0.393585 ] [ 0.638757 0.766971 0.085908 ] [ 0.881771 0.064597 0.261216 ] [ 0.118429 0.942402 0.73704 ] ] } "species" { "source-value" [ "Li" "V" "Cr" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16152115 "source-unit" "angstrom" } "b" { "source-value" 5.34133227 "source-unit" "angstrom" } "c" { "source-value" 7.32677812 "source-unit" "angstrom" } "alpha" { "source-value" 109.59474722 "source-unit" "degree" } "beta" { "source-value" 106.04766577 "source-unit" "degree" } "gamma" { "source-value" 97.96970204 "source-unit" "degree" } }