{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.673903 0 0.734707 ] [ 0 0 0.5 ] [ 0.826097 0.5 0.265293 ] [ 0.173903 0.5 0.734707 ] [ 0.5 0.5 0.5 ] [ 0.326097 0 0.265293 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.854932 0.5 0.763655 ] [ 0.645068 0 0.236345 ] [ 0.354932 0 0.763655 ] [ 0.145068 0.5 0.236345 ] [ 0.031856 0.731021 0.237099 ] [ 0.753749 0 0.035037 ] [ 0.750254 0.5 0.559902 ] [ 0.746251 0.5 0.964963 ] [ 0.749746 0 0.440098 ] [ 0.531856 0.768979 0.237099 ] [ 0.968144 0.731021 0.762901 ] [ 0.468144 0.768979 0.762901 ] [ 0.531856 0.231021 0.237099 ] [ 0.253749 0.5 0.035037 ] [ 0.250254 0 0.559902 ] [ 0.246251 0 0.964963 ] [ 0.249746 0.5 0.440098 ] [ 0.031856 0.268979 0.237099 ] [ 0.468144 0.231021 0.762901 ] [ 0.968144 0.268979 0.762901 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "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" 8.2587169017 "source-unit" "angstrom" } "b" { "source-value" 5.42270807 "source-unit" "angstrom" } "c" { "source-value" 6.25501705632 "source-unit" "angstrom" } "beta" { "source-value" 90.0960155954 "source-unit" "degree" } }