{ "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" [ [ 0.998176 0.25 0.653078 ] [ 0.001824 0.75 0.346922 ] [ 0.730817 0.25 0.110105 ] [ 0.269183 0.75 0.889895 ] [ 0.383023 0.406195 0.042424 ] [ 0.616977 0.906195 0.957576 ] [ 0.616977 0.593805 0.957576 ] [ 0.383023 0.093805 0.042424 ] [ 0.282128 0.471818 0.405673 ] [ 0.717872 0.971818 0.594327 ] [ 0.717872 0.528182 0.594327 ] [ 0.282128 0.028182 0.405673 ] ] } "species" { "source-value" [ "Lu" "Lu" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.90548075 "source-unit" "angstrom" } "b" { "source-value" 9.32544212 "source-unit" "angstrom" } "c" { "source-value" 5.29574049 "source-unit" "angstrom" } "beta" { "source-value" 102.42788767 "source-unit" "degree" } }