{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.249965 0 ] [ 0.5 0.749965 0 ] [ 0 0.874755 0 ] [ 0.5 0.374755 0 ] [ 0.707326 0.039633 0.409685 ] [ 0.292674 0.039633 0.590315 ] [ 0.207326 0.539633 0.409685 ] [ 0.792674 0.539633 0.590315 ] [ 0.16767 0.704678 0.255356 ] [ 0.87171 0.055178 0.710637 ] [ 0.748299 0.904073 0.197612 ] [ 0 0.473312 0.5 ] [ 0.251701 0.904073 0.802388 ] [ 0.83233 0.704678 0.744644 ] [ 0.12829 0.055178 0.289363 ] [ 0.66767 0.204678 0.255356 ] [ 0.37171 0.555178 0.710637 ] [ 0.248299 0.404073 0.197612 ] [ 0.5 0.973312 0.5 ] [ 0.751701 0.404073 0.802388 ] [ 0.33233 0.204678 0.744644 ] [ 0.62829 0.555178 0.289363 ] ] } "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" 6.59640066468 "source-unit" "angstrom" } "b" { "source-value" 8.21477668532 "source-unit" "angstrom" } "c" { "source-value" 4.55421269597 "source-unit" "angstrom" } "beta" { "source-value" 103.708580931 "source-unit" "degree" } }