{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.944963 0 0.637105 ] [ 0.05815 0 0.342995 ] [ 0.444963 0.5 0.637105 ] [ 0.55815 0.5 0.342995 ] [ 0.791807 0.5 0.719937 ] [ 0.291807 0 0.719937 ] [ 0.109571 0.5 0.702732 ] [ 0.890788 0.5 0.31211 ] [ 0.204966 0.5 0.272479 ] [ 0.609571 0 0.702732 ] [ 0.390788 0 0.31211 ] [ 0.704966 0 0.272479 ] [ 0.879655 0 0.327598 ] [ 0.778139 0 0.667988 ] [ 0.148738 0.5 0.993078 ] [ 0.060429 0.5 0.36713 ] [ 0.935673 0.5 0.645131 ] [ 0.850278 0.5 0.997942 ] [ 0.228655 0 0.344757 ] [ 0.118191 0 0.669016 ] [ 0.379655 0.5 0.327598 ] [ 0.278139 0.5 0.667988 ] [ 0.648738 0 0.993078 ] [ 0.560429 0 0.36713 ] [ 0.435673 0 0.645131 ] [ 0.350278 0 0.997942 ] [ 0.728655 0.5 0.344757 ] [ 0.618191 0.5 0.669016 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "V" "V" "V" "V" "V" "V" "O" "O" "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" 12.28277658 "source-unit" "angstrom" } "b" { "source-value" 4.11180079 "source-unit" "angstrom" } "c" { "source-value" 6.72839096 "source-unit" "angstrom" } "beta" { "source-value" 107.42881566 "source-unit" "degree" } }