{ "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" [ [ 0.5 0.317769 0 ] [ 0 0.182231 0 ] [ 0 0 0.5 ] [ 0 0.817769 0 ] [ 0.5 0.682231 0 ] [ 0.5 0.5 0.5 ] [ 0.671706 0.5 0.268086 ] [ 0.706935 0.33264 0.789877 ] [ 0.793065 0.83264 0.210123 ] [ 0.793065 0.16736 0.210123 ] [ 0.706935 0.66736 0.789877 ] [ 0.828294 0 0.731914 ] [ 0.171706 0 0.268086 ] [ 0.206935 0.83264 0.789877 ] [ 0.293065 0.33264 0.210123 ] [ 0.293065 0.66736 0.210123 ] [ 0.206935 0.16736 0.789877 ] [ 0.328294 0.5 0.731914 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "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" 6.23271894 "source-unit" "angstrom" } "b" { "source-value" 9.01994759 "source-unit" "angstrom" } "c" { "source-value" 5.80707765 "source-unit" "angstrom" } "beta" { "source-value" 121.50986233 "source-unit" "degree" } }