{ "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" [ [ 0.5 0.5 0.5 ] [ 0.725764 0.944611 0.741597 ] [ 0.274236 0.444611 0.758403 ] [ 0.5 0 0 ] [ 0.725764 0.555389 0.241597 ] [ 0.274236 0.055389 0.258403 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.107837 0.441543 0.224965 ] [ 0.756303 0.224948 0.925336 ] [ 0.334981 0.176017 0.550013 ] [ 0.665019 0.676017 0.949987 ] [ 0.243697 0.724948 0.574664 ] [ 0.892163 0.941543 0.275035 ] [ 0.107837 0.058457 0.724965 ] [ 0.756303 0.275052 0.425336 ] [ 0.334981 0.323983 0.050013 ] [ 0.665019 0.823983 0.449987 ] [ 0.243697 0.775052 0.074664 ] [ 0.892163 0.558457 0.775035 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "W" "W" "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" 5.60329067 "source-unit" "angstrom" } "b" { "source-value" 5.87336068 "source-unit" "angstrom" } "c" { "source-value" 9.83542997 "source-unit" "angstrom" } "beta" { "source-value" 124.25128974 "source-unit" "degree" } }