{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.945629 0.95351 0.982062 ] [ 0.135756 0.560843 0.789615 ] [ 0.359793 0.178471 0.598605 ] [ 0.592642 0.785084 0.405915 ] [ 0.770751 0.349069 0.1949 ] [ 0.222359 0.577738 0.934163 ] [ 0.669891 0.832969 0.552141 ] [ 0.830579 0.902852 0.836241 ] [ 0.443035 0.216175 0.744023 ] [ 0.92127 0.472144 0.35296 ] [ 0.050673 0.524215 0.644699 ] [ 0.974508 0.896872 0.124398 ] [ 0.289954 0.145058 0.45358 ] [ 0.224923 0.148123 0.264055 ] [ 0.557294 0.792156 0.262485 ] [ 0.308063 0.537395 0.123685 ] [ 0.60688 0.227328 0.036474 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Th" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.97016048 "source-unit" "angstrom" } "b" { "source-value" 4.09507764 "source-unit" "angstrom" } "c" { "source-value" 16.13171971 "source-unit" "angstrom" } "alpha" { "source-value" 90.41176623 "source-unit" "degree" } "beta" { "source-value" 96.38583693 "source-unit" "degree" } "gamma" { "source-value" 117.6131201 "source-unit" "degree" } }