{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.762412 0.383056 0.269105 ] [ 0.237588 0.616944 0.730895 ] [ 0.334697 0.560714 0.229695 ] [ 0.665303 0.439286 0.770305 ] [ 0.680611 0.93804 0.15251 ] [ 0.319389 0.06196 0.84749 ] [ 0.629239 0.680282 0.364012 ] [ 0.239234 0.670843 0.049803 ] [ 0.826727 0.073496 0.242868 ] [ 0.849549 0.410785 0.617672 ] [ 0.65814 0.702862 0.856266 ] [ 0.34186 0.297138 0.143734 ] [ 0.150451 0.589215 0.382328 ] [ 0.173273 0.926504 0.757132 ] [ 0.760766 0.329157 0.950197 ] [ 0.370761 0.319718 0.635988 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "P" "P" "H" "H" "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" 5.38484434 "source-unit" "angstrom" } "b" { "source-value" 6.06150022 "source-unit" "angstrom" } "c" { "source-value" 6.62209387 "source-unit" "angstrom" } "alpha" { "source-value" 105.39948036 "source-unit" "degree" } "beta" { "source-value" 104.02586217 "source-unit" "degree" } "gamma" { "source-value" 99.28008021 "source-unit" "degree" } }