{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.013237 0.75 0.97377 ] [ 0.986763 0.25 0.02623 ] [ 0.305991 0.397613 0.42964 ] [ 0.955807 0.75 0.466326 ] [ 0.044193 0.25 0.533674 ] [ 0.741699 0.892062 0.874551 ] [ 0.694009 0.602387 0.57036 ] [ 0.824317 0.102398 0.269314 ] [ 0.694009 0.897613 0.57036 ] [ 0.741699 0.607938 0.874551 ] [ 0.175683 0.897602 0.730686 ] [ 0.258301 0.392062 0.125449 ] [ 0.175683 0.602398 0.730686 ] [ 0.824317 0.397602 0.269314 ] [ 0.305991 0.102387 0.42964 ] [ 0.258301 0.107938 0.125449 ] [ 0.167084 0.25 0.425895 ] [ 0.963299 0.25 0.276166 ] [ 0.832916 0.75 0.574105 ] [ 0.036701 0.75 0.723834 ] [ 0.130251 0.25 0.129042 ] [ 0.869749 0.75 0.870958 ] [ 0.369337 0.75 0.150097 ] [ 0.630663 0.25 0.849903 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.62436473579 "source-unit" "angstrom" } "b" { "source-value" 6.04354277 "source-unit" "angstrom" } "c" { "source-value" 8.37431547962 "source-unit" "angstrom" } "beta" { "source-value" 93.733423099 "source-unit" "degree" } }