{ "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" [ [ 0.204747 0.894502 0.393971 ] [ 0.396214 0.295372 0.787937 ] [ 0.5 0.5 0.5 ] [ 0.603786 0.704628 0.212063 ] [ 0.795253 0.105498 0.606029 ] [ 0.095762 0.684205 0.690408 ] [ 0.904238 0.315795 0.309592 ] [ 0 0.5 0 ] [ 0.701016 0.890565 0.90093 ] [ 0.298984 0.109435 0.09907 ] [ 0.053529 0.043048 0.84875 ] [ 0.349598 0.668861 0.926822 ] [ 0.134719 0.315423 0.540632 ] [ 0.215478 0.529277 0.245497 ] [ 0.454928 0.886728 0.670132 ] [ 0.545072 0.113272 0.329868 ] [ 0.784522 0.470723 0.754503 ] [ 0.865281 0.684577 0.459368 ] [ 0.650402 0.331139 0.073178 ] [ 0.946471 0.956952 0.15125 ] ] } "species" { "source-value" [ "Li" "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" 5.07002592 "source-unit" "angstrom" } "b" { "source-value" 5.53122993 "source-unit" "angstrom" } "c" { "source-value" 7.65158833 "source-unit" "angstrom" } "alpha" { "source-value" 102.49188758 "source-unit" "degree" } "beta" { "source-value" 103.96234291 "source-unit" "degree" } "gamma" { "source-value" 105.70693213 "source-unit" "degree" } }