{ "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" [ [ 0.763482 0.24472 0.902355 ] [ 0.248618 0.462515 0.717877 ] [ 0.751382 0.962515 0.282123 ] [ 0.236518 0.74472 0.097645 ] [ 0.798368 0.754648 0.676239 ] [ 0.201632 0.254648 0.323761 ] [ 0.721773 0.250071 0.580623 ] [ 0.278227 0.750071 0.419377 ] [ 0.699371 0.750991 0.958833 ] [ 0.300629 0.250991 0.041167 ] [ 0.946396 0.750867 0.920506 ] [ 0.365184 0.277479 0.899629 ] [ 0.521309 0.727007 0.834743 ] [ 0.782625 0.065058 0.698807 ] [ 0.827623 0.438067 0.688268 ] [ 0.143355 0.728648 0.575983 ] [ 0.417566 0.277943 0.538734 ] [ 0.582434 0.777943 0.461266 ] [ 0.856645 0.228648 0.424017 ] [ 0.217375 0.565058 0.301193 ] [ 0.172377 0.938067 0.311732 ] [ 0.478691 0.227007 0.165257 ] [ 0.634816 0.777479 0.100371 ] [ 0.053604 0.250867 0.079494 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 5.05976878 "source-unit" "angstrom" } "b" { "source-value" 6.39882535 "source-unit" "angstrom" } "c" { "source-value" 8.30505935 "source-unit" "angstrom" } "beta" { "source-value" 95.5491158 "source-unit" "degree" } }