{ "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" [ [ 0.706355 0.545675 0.283847 ] [ 0.293645 0.045675 0.216153 ] [ 0.293645 0.454325 0.716153 ] [ 0.706355 0.954325 0.783847 ] [ 0.556339 0.255943 0.020815 ] [ 0.443661 0.755943 0.479185 ] [ 0.443661 0.744057 0.979185 ] [ 0.556339 0.244057 0.520815 ] [ 0.937767 0.674623 0.652653 ] [ 0.062233 0.174623 0.847347 ] [ 0.062233 0.325377 0.347347 ] [ 0.937767 0.825377 0.152653 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "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" 5.01114338411 "source-unit" "angstrom" } "b" { "source-value" 5.06896328 "source-unit" "angstrom" } "c" { "source-value" 5.22874942829 "source-unit" "angstrom" } "beta" { "source-value" 99.7059283604 "source-unit" "degree" } }