{ "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" [ [ 0.217948 0.904324 0.397915 ] [ 0.393637 0.294467 0.771536 ] [ 0.606363 0.705533 0.228464 ] [ 0.782052 0.095676 0.602085 ] [ 0.094069 0.678119 0.686846 ] [ 0.905931 0.321881 0.313154 ] [ 0 0.5 0 ] [ 0.696089 0.891478 0.902135 ] [ 0.303911 0.108522 0.097865 ] [ 0.050973 0.053106 0.85436 ] [ 0.337964 0.657799 0.91647 ] [ 0.112726 0.309448 0.53753 ] [ 0.449791 0.915454 0.685171 ] [ 0.211728 0.518987 0.236745 ] [ 0.788272 0.481013 0.763255 ] [ 0.550209 0.084546 0.314829 ] [ 0.887274 0.690552 0.46247 ] [ 0.662036 0.342201 0.08353 ] [ 0.949027 0.946894 0.14564 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Cu" "Cu" "Cu" "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" 5.02102204 "source-unit" "angstrom" } "b" { "source-value" 5.50173487 "source-unit" "angstrom" } "c" { "source-value" 7.65365798 "source-unit" "angstrom" } "alpha" { "source-value" 102.27115175 "source-unit" "degree" } "beta" { "source-value" 103.06189257 "source-unit" "degree" } "gamma" { "source-value" 106.53415949 "source-unit" "degree" } }