{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.142463 0.343847 0.182236 ] [ 0.142463 0.656153 0.682236 ] [ 0.857537 0.343847 0.317764 ] [ 0.857537 0.656153 0.817764 ] [ 0.642463 0.843847 0.182236 ] [ 0.642463 0.156153 0.682236 ] [ 0.357537 0.843847 0.317764 ] [ 0.357537 0.156153 0.817764 ] [ 0 0.869113 0.25 ] [ 0 0.130887 0.75 ] [ 0.5 0.369113 0.25 ] [ 0.5 0.630887 0.75 ] [ 0.849738 0.076514 0.322405 ] [ 0.849738 0.923486 0.822405 ] [ 0.118308 0.66376 0.116177 ] [ 0.118308 0.33624 0.616177 ] [ 0.881692 0.66376 0.383823 ] [ 0.881692 0.33624 0.883823 ] [ 0.150262 0.076514 0.177595 ] [ 0.150262 0.923486 0.677595 ] [ 0.349738 0.576514 0.322405 ] [ 0.349738 0.423486 0.822405 ] [ 0.618308 0.16376 0.116177 ] [ 0.618308 0.83624 0.616177 ] [ 0.381692 0.16376 0.383823 ] [ 0.381692 0.83624 0.883823 ] [ 0.650262 0.576514 0.177595 ] [ 0.650262 0.423486 0.677595 ] [ 0.859653 0.981943 0.340715 ] [ 0.859653 0.018057 0.840715 ] [ 0.806782 0.12737 0.485173 ] [ 0.806782 0.87263 0.985173 ] [ 0.744025 0.094856 0.15035 ] [ 0.744025 0.905144 0.65035 ] [ 0.169845 0.749885 0.178495 ] [ 0.169845 0.250115 0.678495 ] [ 0.059743 0.349176 0.426252 ] [ 0 0.116202 0.25 ] [ 0 0.626039 0.25 ] [ 0.059743 0.650824 0.926252 ] [ 0.940257 0.349176 0.073748 ] [ 0 0.373961 0.75 ] [ 0 0.883798 0.75 ] [ 0.940257 0.650824 0.573748 ] [ 0.830155 0.749885 0.321505 ] [ 0.830155 0.250115 0.821505 ] [ 0.255975 0.094856 0.34965 ] [ 0.255975 0.905144 0.84965 ] [ 0.193218 0.12737 0.014827 ] [ 0.193218 0.87263 0.514827 ] [ 0.140347 0.981943 0.159285 ] [ 0.140347 0.018057 0.659285 ] [ 0.359653 0.481943 0.340715 ] [ 0.359653 0.518057 0.840715 ] [ 0.306782 0.62737 0.485173 ] [ 0.306782 0.37263 0.985173 ] [ 0.244025 0.594856 0.15035 ] [ 0.244025 0.405144 0.65035 ] [ 0.669845 0.249885 0.178495 ] [ 0.669845 0.750115 0.678495 ] [ 0.559743 0.849176 0.426252 ] [ 0.5 0.616202 0.25 ] [ 0.5 0.126039 0.25 ] [ 0.559743 0.150824 0.926252 ] [ 0.440257 0.849176 0.073748 ] [ 0.5 0.873961 0.75 ] [ 0.5 0.383798 0.75 ] [ 0.440257 0.150824 0.573748 ] [ 0.330155 0.249885 0.321505 ] [ 0.330155 0.750115 0.821505 ] [ 0.755975 0.594856 0.34965 ] [ 0.755975 0.405144 0.84965 ] [ 0.693218 0.62737 0.014827 ] [ 0.693218 0.37263 0.514827 ] [ 0.640347 0.481943 0.159285 ] [ 0.640347 0.518057 0.659285 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.24838692 "source-unit" "angstrom" } "b" { "source-value" 15.8263405 "source-unit" "angstrom" } "c" { "source-value" 7.39143712 "source-unit" "angstrom" } "beta" { "source-value" 91.79481573 "source-unit" "degree" } }