{ "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" [ [ 0.241315 0.91678 0.187542 ] [ 0.758685 0.41678 0.312458 ] [ 0.758685 0.08322 0.812458 ] [ 0.241315 0.58322 0.687542 ] [ 0.258886 0.287443 0.01813 ] [ 0.741114 0.787443 0.48187 ] [ 0.741114 0.712557 0.98187 ] [ 0.258886 0.212557 0.51813 ] [ 0.230543 0.921824 0.75065 ] [ 0.769457 0.421824 0.74935 ] [ 0.769457 0.078176 0.24935 ] [ 0.230543 0.578176 0.25065 ] [ 0.262303 0.033529 0.822424 ] [ 0.737697 0.533529 0.677576 ] [ 0.737697 0.966471 0.177576 ] [ 0.262303 0.466471 0.322424 ] [ 0.074421 0.848322 0.79096 ] [ 0.925579 0.348322 0.70904 ] [ 0.925579 0.151678 0.20904 ] [ 0.074421 0.651678 0.29096 ] [ 0.352122 0.884689 0.640432 ] [ 0.647878 0.384689 0.859568 ] [ 0.647878 0.115311 0.359568 ] [ 0.352122 0.615311 0.140432 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "C" "C" "C" "C" "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" 6.19410879 "source-unit" "angstrom" } "b" { "source-value" 10.5030881 "source-unit" "angstrom" } "c" { "source-value" 8.10866176 "source-unit" "angstrom" } "beta" { "source-value" 97.52463832 "source-unit" "degree" } }