{ "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" [ [ 0.129172 0.505106 0.869774 ] [ 0.129172 0.994894 0.369774 ] [ 0.870828 0.005106 0.630226 ] [ 0.870828 0.494894 0.130226 ] [ 0.319015 0.820558 0.616756 ] [ 0.319015 0.679442 0.116756 ] [ 0.680985 0.320558 0.883244 ] [ 0.680985 0.179442 0.383244 ] [ 0.041679 0.668904 0.68707 ] [ 0.041679 0.831096 0.18707 ] [ 0.158734 0.152193 0.558504 ] [ 0.158734 0.347807 0.058504 ] [ 0.308678 0.814176 0.933384 ] [ 0.308678 0.685824 0.433384 ] [ 0.377277 0.328435 0.794698 ] [ 0.377277 0.171565 0.294698 ] [ 0.622723 0.828435 0.705302 ] [ 0.622723 0.671565 0.205302 ] [ 0.691322 0.314176 0.566616 ] [ 0.691322 0.185824 0.066616 ] [ 0.841266 0.652193 0.941496 ] [ 0.841266 0.847807 0.441496 ] [ 0.958321 0.168904 0.81293 ] [ 0.958321 0.331096 0.31293 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.74522372 "source-unit" "angstrom" } "b" { "source-value" 7.85183923 "source-unit" "angstrom" } "c" { "source-value" 15.52750129 "source-unit" "angstrom" } "beta" { "source-value" 93.02815566 "source-unit" "degree" } }