{ "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 ] [ 0 0 0 ] [ 0.721027 0.941896 0.35266 ] [ 0.778973 0.441896 0.64734 ] [ 0.221027 0.558104 0.35266 ] [ 0.278973 0.058104 0.64734 ] [ 0.569221 0.630372 0.331409 ] [ 0.930779 0.130372 0.668591 ] [ 0.069221 0.869628 0.331409 ] [ 0.430779 0.369628 0.668591 ] [ 0.914087 0.343532 0.144624 ] [ 0.414087 0.156468 0.144624 ] [ 0.585913 0.843532 0.855376 ] [ 0.085913 0.656468 0.855376 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 5.68942544 "source-unit" "angstrom" } "b" { "source-value" 5.89533022 "source-unit" "angstrom" } "c" { "source-value" 5.9588573 "source-unit" "angstrom" } "beta" { "source-value" 116.56814213 "source-unit" "degree" } }