{ "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 ] [ 0.5 0 0.5 ] [ 0.046058 0.354176 0.227853 ] [ 0.953942 0.645824 0.772147 ] [ 0.451451 0.640417 0.267116 ] [ 0.548549 0.359583 0.732884 ] [ 0.170766 0.719707 0.151749 ] [ 0.31453 0.308373 0.33694 ] [ 0.757279 0.562316 0.062556 ] [ 0.257835 0.56486 0.566104 ] [ 0.560538 0.890881 0.224438 ] [ 0.048367 0.883489 0.72158 ] [ 0.951633 0.116511 0.27842 ] [ 0.439462 0.109119 0.775562 ] [ 0.242721 0.437684 0.937444 ] [ 0.742165 0.43514 0.433896 ] [ 0.68547 0.691627 0.66306 ] [ 0.829234 0.280293 0.848251 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "W" "W" "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" 5.13011693 "source-unit" "angstrom" } "b" { "source-value" 6.81762006 "source-unit" "angstrom" } "c" { "source-value" 7.35261347 "source-unit" "angstrom" } "alpha" { "source-value" 66.0261397 "source-unit" "degree" } "beta" { "source-value" 70.78037149 "source-unit" "degree" } "gamma" { "source-value" 79.15581967 "source-unit" "degree" } }