{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.513784 0.746972 0.770444 ] [ 0.96798 0.720665 0.77929 ] [ 0.01234 0.746205 0.213792 ] [ 0.469403 0.226174 0.762316 ] [ 0.530597 0.773826 0.237684 ] [ 0.98766 0.253795 0.786208 ] [ 0.03202 0.279335 0.22071 ] [ 0.486216 0.253028 0.229556 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Ni" "Ni" "Ni" "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" 5.78742386 "source-unit" "angstrom" } "b" { "source-value" 5.82420586 "source-unit" "angstrom" } "c" { "source-value" 5.86459672 "source-unit" "angstrom" } "alpha" { "source-value" 119.32732927 "source-unit" "degree" } "beta" { "source-value" 91.08706951 "source-unit" "degree" } "gamma" { "source-value" 118.78992348 "source-unit" "degree" } }