{ "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" [ [ 0.070568 0.583339 0.700118 ] [ 0.158005 0.109765 0.582164 ] [ 0.070568 0.916661 0.200118 ] [ 0.372187 0.33339 0.893801 ] [ 0.158005 0.390235 0.082164 ] [ 0.423423 0.817262 0.789592 ] [ 0.372187 0.16661 0.393801 ] [ 0.423423 0.682738 0.289592 ] [ 0.576577 0.317262 0.710408 ] [ 0.627813 0.83339 0.606199 ] [ 0.576577 0.182738 0.210408 ] [ 0.841995 0.609765 0.917836 ] [ 0.627813 0.66661 0.106199 ] [ 0.929432 0.083339 0.799882 ] [ 0.841995 0.890235 0.417836 ] [ 0.929432 0.416661 0.299882 ] [ 0.241777 0.877471 0.990241 ] [ 0.241777 0.622529 0.490241 ] [ 0.758223 0.377471 0.509759 ] [ 0.758223 0.122529 0.009759 ] [ 0.07063 0.759696 0.973376 ] [ 0.07063 0.740304 0.473376 ] [ 0.215059 0.021929 0.825794 ] [ 0.315119 0.457364 0.652496 ] [ 0.215059 0.478071 0.325794 ] [ 0.369232 0.839093 0.512623 ] [ 0.315119 0.042636 0.152496 ] [ 0.630768 0.339093 0.987377 ] [ 0.369232 0.660907 0.012623 ] [ 0.684881 0.957364 0.847504 ] [ 0.630768 0.160907 0.487377 ] [ 0.784941 0.521929 0.674206 ] [ 0.684881 0.542636 0.347504 ] [ 0.784941 0.978071 0.174206 ] [ 0.92937 0.259696 0.526624 ] [ 0.92937 0.240304 0.026624 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "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" 11.51072144 "source-unit" "angstrom" } "b" { "source-value" 7.21497395 "source-unit" "angstrom" } "c" { "source-value" 11.52555573 "source-unit" "angstrom" } "beta" { "source-value" 111.01656589 "source-unit" "degree" } }