{ "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" [ [ 0.249365 0.75 0.063976 ] [ 0.753449 0.009201 0.240287 ] [ 0.753449 0.490799 0.240287 ] [ 0.246551 0.509201 0.759713 ] [ 0.246551 0.990799 0.759713 ] [ 0.750635 0.25 0.936024 ] [ 0.229993 0.25 0.333903 ] [ 0.770007 0.75 0.666097 ] [ 0.266368 0.25 0.063474 ] [ 0.733632 0.75 0.936526 ] [ 0.289972 0.75 0.420599 ] [ 0.710028 0.25 0.579401 ] [ 0.711711 0.75 0.086771 ] [ 0.033041 0.25 0.136401 ] [ 0.476688 0.25 0.162486 ] [ 0.219031 0.92471 0.329321 ] [ 0.219031 0.57529 0.329321 ] [ 0.571961 0.75 0.452353 ] [ 0.8457 0.25 0.436148 ] [ 0.1543 0.75 0.563852 ] [ 0.428039 0.25 0.547647 ] [ 0.780969 0.42471 0.670679 ] [ 0.780969 0.07529 0.670679 ] [ 0.523312 0.75 0.837514 ] [ 0.966959 0.75 0.863599 ] [ 0.288289 0.25 0.913229 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "B" "B" "S" "S" "O" "O" "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" 5.26351701 "source-unit" "angstrom" } "b" { "source-value" 6.84818976 "source-unit" "angstrom" } "c" { "source-value" 8.9865077 "source-unit" "angstrom" } "beta" { "source-value" 91.23869467 "source-unit" "degree" } }