{ "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" [ [ 0.810228 0.052342 0.200538 ] [ 0.189772 0.552342 0.299462 ] [ 0.189772 0.947658 0.799462 ] [ 0.810228 0.447658 0.700538 ] [ 0.427971 0.333868 0.956495 ] [ 0.572029 0.666132 0.043505 ] [ 0.572029 0.833868 0.543505 ] [ 0.427971 0.166132 0.456495 ] [ 0.090264 0.273124 0.999268 ] [ 0.909736 0.773124 0.500732 ] [ 0.909736 0.726876 0.000732 ] [ 0.090264 0.226876 0.499268 ] [ 0.413279 0.883037 0.221635 ] [ 0.413279 0.616963 0.721635 ] [ 0.586721 0.116963 0.778365 ] [ 0.586721 0.383037 0.278365 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60557440751 "source-unit" "angstrom" } "b" { "source-value" 7.31786381 "source-unit" "angstrom" } "c" { "source-value" 6.94595598751 "source-unit" "angstrom" } "beta" { "source-value" 97.8920570692 "source-unit" "degree" } }