{ "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" [ [ 0.402221 0.65747 0.215588 ] [ 0.097779 0.15747 0.284412 ] [ 0.597779 0.34253 0.784412 ] [ 0.902221 0.84253 0.715588 ] [ 0.88917 0.661026 0.19705 ] [ 0.61083 0.161026 0.30295 ] [ 0.11083 0.338974 0.80295 ] [ 0.38917 0.838974 0.69705 ] [ 0.791104 0.711199 0.373977 ] [ 0.708896 0.211199 0.126023 ] [ 0.208896 0.288801 0.626023 ] [ 0.291104 0.788801 0.873977 ] [ 0.693248 0.602159 0.029967 ] [ 0.806752 0.102159 0.470033 ] [ 0.306752 0.397841 0.970033 ] [ 0.193248 0.897841 0.529967 ] [ 0.561095 0.994917 0.750566 ] [ 0.938905 0.494917 0.749434 ] [ 0.438905 0.005083 0.249434 ] [ 0.061095 0.505083 0.250566 ] [ 0.501774 0.669706 0.618862 ] [ 0.998226 0.169706 0.881138 ] [ 0.498226 0.330294 0.381138 ] [ 0.001774 0.830294 0.118862 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "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" 6.48784101876 "source-unit" "angstrom" } "b" { "source-value" 7.08696247 "source-unit" "angstrom" } "c" { "source-value" 6.88805510618 "source-unit" "angstrom" } "beta" { "source-value" 103.844333799 "source-unit" "degree" } }