{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.999313 0.250569 0.997517 ] [ 0.999313 0.749431 0.997517 ] [ 0.499897 0.751415 0.502912 ] [ 0.499897 0.248585 0.502912 ] [ 0.475693 0 0.219456 ] [ 0.523609 0.5 0.779825 ] [ 0.973859 0.5 0.281699 ] [ 0.017189 0 0.72166 ] [ 0.083227 0.5 0.595266 ] [ 0.416156 0.5 0.094333 ] [ 0.581296 0 0.902997 ] [ 0.920403 0 0.408156 ] [ 0.206625 0.5 0.456608 ] [ 0.217463 0.293976 0.665045 ] [ 0.217463 0.706024 0.665045 ] [ 0.244044 0 0.404245 ] [ 0.256646 0 0.898246 ] [ 0.282899 0.296098 0.1647 ] [ 0.282899 0.703902 0.1647 ] [ 0.292604 0.5 0.955189 ] [ 0.702802 0 0.042329 ] [ 0.719373 0.797681 0.832501 ] [ 0.719373 0.202319 0.832501 ] [ 0.740261 0.5 0.096933 ] [ 0.758752 0.5 0.596868 ] [ 0.783988 0.79704 0.336684 ] [ 0.783988 0.20296 0.336684 ] [ 0.800968 0 0.547472 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Ni" "P" "P" "P" "P" "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" 4.74194444 "source-unit" "angstrom" } "b" { "source-value" 6.06379954 "source-unit" "angstrom" } "c" { "source-value" 10.37245274 "source-unit" "angstrom" } "beta" { "source-value" 90.3182411 "source-unit" "degree" } }