{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.236921 0.75 0.078296 ] [ 0.778704 0.986472 0.270156 ] [ 0.778704 0.513528 0.270156 ] [ 0.221296 0.486472 0.729844 ] [ 0.221296 0.013528 0.729844 ] [ 0.763079 0.25 0.921704 ] [ 0.223286 0.25 0.326272 ] [ 0.776714 0.75 0.673728 ] [ 0.307012 0.75 0.420107 ] [ 0.692988 0.25 0.579893 ] [ 0.309144 0.25 0.022981 ] [ 0.690856 0.75 0.977019 ] [ 0.694399 0.75 0.128471 ] [ 0.088059 0.25 0.087991 ] [ 0.527112 0.25 0.106216 ] [ 0.195463 0.950485 0.297705 ] [ 0.195463 0.549515 0.297705 ] [ 0.645496 0.75 0.44468 ] [ 0.801158 0.25 0.398255 ] [ 0.198842 0.75 0.601745 ] [ 0.354504 0.25 0.55532 ] [ 0.804537 0.450485 0.702295 ] [ 0.804537 0.049515 0.702295 ] [ 0.472888 0.75 0.893784 ] [ 0.911941 0.75 0.912009 ] [ 0.305601 0.25 0.871529 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "As" "As" "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" 5.15793752 "source-unit" "angstrom" } "b" { "source-value" 6.44072792 "source-unit" "angstrom" } "c" { "source-value" 8.58423586 "source-unit" "angstrom" } "beta" { "source-value" 94.70393378 "source-unit" "degree" } }