{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.162429 0.5 0.894747 ] [ 0.998436 0 0.995752 ] [ 0.004045 0 0.498155 ] [ 0.834134 0.5 0.39511 ] [ 0.662429 0 0.894747 ] [ 0.498436 0.5 0.995752 ] [ 0.504045 0.5 0.498155 ] [ 0.334134 0 0.39511 ] [ 0.173136 0.5 0.492263 ] [ 0.832077 0.5 0.986015 ] [ 0.673136 0 0.492263 ] [ 0.332077 0 0.986015 ] [ 0.083146 0.253257 0.213008 ] [ 0.083146 0.746743 0.213008 ] [ 0.170384 0 0.712927 ] [ 0.583146 0.753257 0.213008 ] [ 0.583146 0.246743 0.213008 ] [ 0.670384 0.5 0.712927 ] [ 0.829639 0 0.213763 ] [ 0.916073 0.253937 0.714673 ] [ 0.916073 0.746063 0.714673 ] [ 0.329639 0.5 0.213763 ] [ 0.416073 0.753937 0.714673 ] [ 0.416073 0.246063 0.714673 ] [ 0.092445 0.239328 0.601297 ] [ 0.019212 0.5 0.329186 ] [ 0.160736 0.5 0.108485 ] [ 0.003039 0 0.309326 ] [ 0.005003 0 0.806291 ] [ 0.092445 0.760672 0.601297 ] [ 0.236543 0.274073 0.332131 ] [ 0.236543 0.725927 0.332131 ] [ 0.158204 0 0.109502 ] [ 0.843829 0 0.600017 ] [ 0.250091 0.78155 0.83903 ] [ 0.250091 0.21845 0.83903 ] [ 0.831563 0.5 0.611994 ] [ 0.922208 0.247133 0.1043 ] [ 0.979728 0.5 0.835781 ] [ 0.922208 0.752867 0.1043 ] [ 0.592445 0.739328 0.601297 ] [ 0.519212 0 0.329186 ] [ 0.660736 0 0.108485 ] [ 0.503039 0.5 0.309326 ] [ 0.505003 0.5 0.806291 ] [ 0.592445 0.260672 0.601297 ] [ 0.736543 0.774073 0.332131 ] [ 0.736543 0.225927 0.332131 ] [ 0.658204 0.5 0.109502 ] [ 0.343829 0.5 0.600017 ] [ 0.750091 0.28155 0.83903 ] [ 0.750091 0.71845 0.83903 ] [ 0.331563 0 0.611994 ] [ 0.422208 0.747133 0.1043 ] [ 0.479728 0 0.835781 ] [ 0.422208 0.252867 0.1043 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.05547712 "source-unit" "angstrom" } "b" { "source-value" 5.69493862 "source-unit" "angstrom" } "c" { "source-value" 9.41408496 "source-unit" "angstrom" } "beta" { "source-value" 91.60972101 "source-unit" "degree" } }