{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.404296 0 0.297185 ] [ 0 0 0.5 ] [ 0.595704 0 0.702815 ] [ 0.899434 0 0.29721 ] [ 0.5 0 0.5 ] [ 0.100566 0 0.70279 ] [ 0.678459 0 0.898235 ] [ 0.5 0.5 0 ] [ 0.321541 0 0.101765 ] [ 0.083484 0.5 0.192487 ] [ 0.701575 0.5 0.399352 ] [ 0.298425 0.5 0.600648 ] [ 0.916516 0.5 0.807513 ] [ 0.479917 0.5 0.907743 ] [ 0.718597 0 0.990314 ] [ 0.281403 0 0.009686 ] [ 0.100151 0.5 0.101171 ] [ 0.520083 0.5 0.092257 ] [ 0.893812 0 0.197975 ] [ 0.317493 0 0.191917 ] [ 0.127923 0.5 0.288918 ] [ 0.679659 0.5 0.305273 ] [ 0.900559 0 0.399171 ] [ 0.502327 0 0.398642 ] [ 0.722975 0.5 0.493314 ] [ 0.277025 0.5 0.506686 ] [ 0.099441 0 0.600829 ] [ 0.497673 0 0.601358 ] [ 0.872077 0.5 0.711082 ] [ 0.320341 0.5 0.694727 ] [ 0.106188 0 0.802025 ] [ 0.682507 0 0.808083 ] [ 0.899849 0.5 0.898829 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "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" 6.19013337 "source-unit" "angstrom" } "b" { "source-value" 2.9840494 "source-unit" "angstrom" } "c" { "source-value" 20.04924634 "source-unit" "angstrom" } "beta" { "source-value" 97.76938444 "source-unit" "degree" } }