{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.764355 0.5 0.904138 ] [ 0.24797 0.270972 0.723773 ] [ 0.24797 0.729028 0.723773 ] [ 0.751399 0.771902 0.27633 ] [ 0.751399 0.228098 0.27633 ] [ 0.236817 0 0.09635 ] [ 0.204169 0.5 0.329624 ] [ 0.794062 0 0.665492 ] [ 0.719106 0.5 0.585948 ] [ 0.280034 0 0.413379 ] [ 0.70188 0 0.963469 ] [ 0.29865 0.5 0.037491 ] [ 0.949395 0 0.92704 ] [ 0.358751 0.5 0.889963 ] [ 0.510277 0 0.847839 ] [ 0.825398 0.312689 0.691071 ] [ 0.825398 0.687311 0.691071 ] [ 0.174419 0 0.581498 ] [ 0.405443 0.5 0.564721 ] [ 0.593951 0 0.433673 ] [ 0.827829 0.5 0.418905 ] [ 0.17515 0.188137 0.309128 ] [ 0.17515 0.811863 0.309128 ] [ 0.48831 0.5 0.153666 ] [ 0.640909 0 0.110659 ] [ 0.051804 0.5 0.075544 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Co" "P" "P" "C" "C" "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" 4.98670921 "source-unit" "angstrom" } "b" { "source-value" 6.41546076 "source-unit" "angstrom" } "c" { "source-value" 8.39748076 "source-unit" "angstrom" } "beta" { "source-value" 94.58970222 "source-unit" "degree" } }