{ "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" [ [ 0.248938 0.819263 0.320431 ] [ 0.751062 0.180737 0.679569 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.275105 0.244389 0.839622 ] [ 0.778197 0.241205 0.338006 ] [ 0.221803 0.758795 0.661994 ] [ 0.724895 0.755611 0.160378 ] [ 0.413052 0.602525 0.7651 ] [ 0.293068 0.911389 0.563086 ] [ 0.203727 0.086433 0.929796 ] [ 0.337806 0.33879 0.98103 ] [ 0.080481 0.396346 0.734837 ] [ 0.836154 0.334189 0.486573 ] [ 0.014634 0.895987 0.768349 ] [ 0.481375 0.118603 0.724355 ] [ 0.518625 0.881397 0.275645 ] [ 0.985366 0.104013 0.231651 ] [ 0.163846 0.665811 0.513427 ] [ 0.919519 0.603654 0.265163 ] [ 0.662194 0.66121 0.01897 ] [ 0.796273 0.913567 0.070204 ] [ 0.706932 0.088611 0.436914 ] [ 0.586948 0.397475 0.2349 ] [ 0.765678 0.262918 0.905823 ] [ 0.731126 0.738596 0.584198 ] [ 0.268874 0.261404 0.415802 ] [ 0.234322 0.737082 0.094177 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "Cr" "Cr" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "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" 6.87950588 "source-unit" "angstrom" } "b" { "source-value" 7.32622708 "source-unit" "angstrom" } "c" { "source-value" 7.93949467 "source-unit" "angstrom" } "alpha" { "source-value" 87.31985197 "source-unit" "degree" } "beta" { "source-value" 87.9691993 "source-unit" "degree" } "gamma" { "source-value" 62.23224883 "source-unit" "degree" } }