{ "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" [ [ 0.087672 0.245537 0.116377 ] [ 0.912328 0.745537 0.383623 ] [ 0.912328 0.754463 0.883623 ] [ 0.087672 0.254463 0.616377 ] [ 0.612471 0.25568 0.150183 ] [ 0.387529 0.75568 0.349817 ] [ 0.387529 0.74432 0.849817 ] [ 0.612471 0.24432 0.650183 ] [ 0.369442 0.369643 0.264316 ] [ 0.630558 0.869643 0.235684 ] [ 0.630558 0.630357 0.735684 ] [ 0.369442 0.130357 0.764316 ] [ 0.809095 0.091097 0.948771 ] [ 0.190905 0.591097 0.551229 ] [ 0.190905 0.908903 0.051229 ] [ 0.809095 0.408903 0.448771 ] [ 0.932836 0.566877 0.139689 ] [ 0.067164 0.066877 0.360311 ] [ 0.067164 0.433123 0.860311 ] [ 0.932836 0.933123 0.639689 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "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" 7.69950495104 "source-unit" "angstrom" } "b" { "source-value" 5.76238904 "source-unit" "angstrom" } "c" { "source-value" 7.97431024949 "source-unit" "angstrom" } "beta" { "source-value" 112.911277707 "source-unit" "degree" } }