{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.833183 0 0.260124 ] [ 0.333183 0.5 0.260124 ] [ 0.999323 0.5 0.994496 ] [ 0.001385 0.5 0.513473 ] [ 0.499323 0 0.994496 ] [ 0.501385 0 0.513473 ] [ 0.852414 0 0.763164 ] [ 0.658372 0.5 0.25247 ] [ 0.352414 0.5 0.763164 ] [ 0.158372 0 0.25247 ] [ 0.740933 0 0.959469 ] [ 0.464104 0.73597 0.770995 ] [ 0.964104 0.76403 0.770995 ] [ 0.754131 0 0.555473 ] [ 0.756288 0.5 0.456535 ] [ 0.539448 0.732204 0.24234 ] [ 0.039448 0.767796 0.24234 ] [ 0.768101 0.5 0.05894 ] [ 0.240933 0.5 0.959469 ] [ 0.964104 0.23597 0.770995 ] [ 0.464104 0.26403 0.770995 ] [ 0.254131 0.5 0.555473 ] [ 0.256288 0 0.456535 ] [ 0.039448 0.232204 0.24234 ] [ 0.539448 0.267796 0.24234 ] [ 0.268101 0 0.05894 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 8.1778987 "source-unit" "angstrom" } "b" { "source-value" 5.4216721 "source-unit" "angstrom" } "c" { "source-value" 6.34369416 "source-unit" "angstrom" } "beta" { "source-value" 90.71041131 "source-unit" "degree" } }