{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.883951 0.25 ] [ 0.5 0.616049 0.75 ] [ 0.5 0.383951 0.25 ] [ 0 0.116049 0.75 ] [ 0.692639 0.556403 0.260851 ] [ 0.807361 0.943597 0.739149 ] [ 0.807361 0.056403 0.239149 ] [ 0.692639 0.443597 0.760851 ] [ 0.192639 0.056403 0.260851 ] [ 0.307361 0.443597 0.739149 ] [ 0.307361 0.556403 0.239149 ] [ 0.192639 0.943597 0.760851 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Pb" "Pb" "Pb" "Pb" "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" 8.84343555443 "source-unit" "angstrom" } "b" { "source-value" 9.03851209845 "source-unit" "angstrom" } "c" { "source-value" 6.22081295759 "source-unit" "angstrom" } "beta" { "source-value" 131.50922658 "source-unit" "degree" } }