{ "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" [ [ 0.801462 0.602935 0.898706 ] [ 0.198538 0.397065 0.101294 ] [ 0.595444 0.191823 0.296348 ] [ 0.404556 0.808177 0.703652 ] [ 0.888216 0.787077 0.195288 ] [ 0.111784 0.212923 0.804712 ] [ 0.5 0 0 ] [ 1 0 0.5 ] [ 0.708718 0.418402 0.605751 ] [ 0.291282 0.581598 0.394249 ] [ 0 0 0 ] [ 0.286085 0.573917 0.897965 ] [ 0.713915 0.426083 0.102035 ] [ 0.087137 0.173838 0.290976 ] [ 0.401535 0.797491 0.195555 ] [ 0.802125 0.604067 0.378416 ] [ 0.5 0 0.5 ] [ 0.912863 0.826162 0.709024 ] [ 0.197875 0.395933 0.621584 ] [ 0.598465 0.202509 0.804445 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "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" 4.25728181 "source-unit" "angstrom" } "b" { "source-value" 5.08270947 "source-unit" "angstrom" } "c" { "source-value" 9.62775918 "source-unit" "angstrom" } "alpha" { "source-value" 92.24117166 "source-unit" "degree" } "beta" { "source-value" 90.0011787 "source-unit" "degree" } "gamma" { "source-value" 114.74599758 "source-unit" "degree" } }