{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.022763 0.501986 0.000021 ] [ 0.462036 0.182887 0.82765 ] [ 0.44924 0.437625 0.49398 ] [ 0.55076 0.937625 0.50602 ] [ 0.537964 0.682887 0.17235 ] [ 0.977237 0.001986 0.999979 ] [ 0.015795 0.750639 0.710372 ] [ 0.984205 0.250639 0.289628 ] [ 0.967897 0.246415 0.672853 ] [ 0.032103 0.746415 0.327147 ] [ 0.50411 0.741299 0.861752 ] [ 0.49589 0.241299 0.138248 ] [ 0.325743 0.724042 0.969857 ] [ 0.748884 0.770586 0.906355 ] [ 0.101023 0.069206 0.770198 ] [ 0.005429 0.441447 0.77225 ] [ 0.439311 0.733772 0.711147 ] [ 0.672403 0.200718 0.635534 ] [ 0.118305 0.273979 0.513841 ] [ 0.881695 0.773979 0.486159 ] [ 0.327597 0.700718 0.364466 ] [ 0.560689 0.233772 0.288853 ] [ 0.994571 0.941447 0.22775 ] [ 0.898977 0.569206 0.229802 ] [ 0.251116 0.270586 0.093645 ] [ 0.674257 0.224042 0.030143 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.07136971 "source-unit" "angstrom" } "b" { "source-value" 6.55896815 "source-unit" "angstrom" } "c" { "source-value" 8.39244495 "source-unit" "angstrom" } "beta" { "source-value" 91.55696491 "source-unit" "degree" } }