{ "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" [ [ 0.486839 0.452617 0.752941 ] [ 0.013161 0.952617 0.747059 ] [ 0.986839 0.047383 0.252941 ] [ 0.513161 0.547383 0.247059 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.103905 0.4561 0.233521 ] [ 0.396095 0.9561 0.266479 ] [ 0.896095 0.5439 0.766479 ] [ 0.603905 0.0439 0.733521 ] [ 0.217339 0.188509 0.548991 ] [ 0.282661 0.688509 0.951009 ] [ 0.782661 0.811491 0.451009 ] [ 0.717339 0.311491 0.048991 ] [ 0.813608 0.779094 0.061794 ] [ 0.686392 0.279094 0.438206 ] [ 0.186392 0.220906 0.938206 ] [ 0.313608 0.720906 0.561794 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "U" "U" "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" 5.97358516716 "source-unit" "angstrom" } "b" { "source-value" 6.13709503 "source-unit" "angstrom" } "c" { "source-value" 8.53458022311 "source-unit" "angstrom" } "beta" { "source-value" 90.2207332543 "source-unit" "degree" } }