{ "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" [ [ 0.080163 0.791097 0.587466 ] [ 0.703794 0.601387 0.211847 ] [ 0.5 0.5 0.5 ] [ 0.296206 0.398613 0.788153 ] [ 0.919837 0.208903 0.412534 ] [ 0.307502 0.901189 0.308364 ] [ 0.692498 0.098811 0.691636 ] [ 0.5 0 0 ] [ 0.10084 0.307279 0.109583 ] [ 0.89916 0.692721 0.890417 ] [ 0.907745 0.947331 0.13996 ] [ 0.287914 0.657628 0.049638 ] [ 0.686187 0.856984 0.452091 ] [ 0.514294 0.773724 0.769825 ] [ 0.102688 0.54165 0.332917 ] [ 0.897312 0.45835 0.667083 ] [ 0.485706 0.226276 0.230175 ] [ 0.313813 0.143016 0.547909 ] [ 0.712086 0.342372 0.950362 ] [ 0.092255 0.052669 0.86004 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Co" "Co" "Co" "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" 5.15702449 "source-unit" "angstrom" } "b" { "source-value" 5.16593627 "source-unit" "angstrom" } "c" { "source-value" 7.782434 "source-unit" "angstrom" } "alpha" { "source-value" 103.92324599 "source-unit" "degree" } "beta" { "source-value" 108.44907031 "source-unit" "degree" } "gamma" { "source-value" 99.06327895 "source-unit" "degree" } }