{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.037071 0.614743 0.752752 ] [ 0.537071 0.885257 0.252752 ] [ 0.462929 0.114743 0.747248 ] [ 0.962929 0.385257 0.247248 ] [ 0.935722 0.106718 0.564047 ] [ 0.064278 0.893282 0.435953 ] [ 0.564278 0.606718 0.935953 ] [ 0.435722 0.393282 0.064047 ] [ 0.877046 0.987706 0.765516 ] [ 0.323935 0.796226 0.550839 ] [ 0.176065 0.296226 0.949161 ] [ 0.676065 0.203774 0.449161 ] [ 0.661578 0.189135 0.064288 ] [ 0.838422 0.689135 0.435712 ] [ 0.338422 0.810865 0.935712 ] [ 0.161578 0.310865 0.564288 ] [ 0.622954 0.487706 0.734484 ] [ 0.122954 0.012294 0.234484 ] [ 0.377046 0.512294 0.265516 ] [ 0.823935 0.703774 0.050839 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.96027946578 "source-unit" "angstrom" } "b" { "source-value" 7.6084725 "source-unit" "angstrom" } "c" { "source-value" 9.72318848235 "source-unit" "angstrom" } "beta" { "source-value" 92.2350643541 "source-unit" "degree" } }