{ "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 0 ] [ 0 0 0.5 ] [ 0.6318 0.317835 0.771365 ] [ 0.3682 0.682165 0.228635 ] [ 0.178167 0.450552 0.790102 ] [ 0.548628 0.76691 0.681678 ] [ 0.451372 0.23309 0.318322 ] [ 0.821833 0.549448 0.209898 ] [ 0.209468 0.614458 0.963772 ] [ 0.311339 0.284192 0.811459 ] [ 0.583863 0.00081 0.792722 ] [ 0.723112 0.672815 0.791105 ] [ 0.274602 0.600774 0.656131 ] [ 0.912767 0.305155 0.682986 ] [ 0.423675 0.230119 0.505902 ] [ 0.576325 0.769881 0.494098 ] [ 0.087233 0.694845 0.317014 ] [ 0.725398 0.399226 0.343869 ] [ 0.276888 0.327185 0.208895 ] [ 0.416137 0.99919 0.207278 ] [ 0.688661 0.715808 0.188541 ] [ 0.790532 0.385542 0.036228 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "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" 6.15030383 "source-unit" "angstrom" } "b" { "source-value" 6.35321397 "source-unit" "angstrom" } "c" { "source-value" 7.8917945 "source-unit" "angstrom" } "alpha" { "source-value" 99.21696387 "source-unit" "degree" } "beta" { "source-value" 103.51647584 "source-unit" "degree" } "gamma" { "source-value" 108.87737771 "source-unit" "degree" } }