{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.706282 0.5 0.009672 ] [ 0.659204 0.5 0.642513 ] [ 0.63393 0.5 0.348826 ] [ 0.206666 0.5 0.508092 ] [ 0.159908 0.5 0.142754 ] [ 0.134866 0.5 0.849251 ] [ 0.808207 0 0.820201 ] [ 0.863119 0 0.4957 ] [ 0.824984 0 0.18389 ] [ 0.362228 0 0.996163 ] [ 0.324553 0 0.683493 ] [ 0.311516 0 0.320064 ] [ 0.000087 0.5 0.333411 ] [ 0.0015 0 0.000219 ] [ 0.001116 0.5 0.665454 ] [ 0.497692 0.5 0.833784 ] [ 0.500093 0 0.499842 ] [ 0.500144 0.5 0.16666 ] [ 0.989639 0.5 0.568203 ] [ 0.98249 0.5 0.236109 ] [ 0.86333 0.5 0.390597 ] [ 0.861135 0.5 0.71933 ] [ 0.848251 0 0.04183 ] [ 0.651403 0.5 0.874829 ] [ 0.652117 0.5 0.209094 ] [ 0.639151 0 0.555134 ] [ 0.512933 0 0.402536 ] [ 0.487537 0.5 0.069453 ] [ 0.482273 0.5 0.736515 ] [ 0.361191 0.5 0.890813 ] [ 0.360764 0.5 0.221516 ] [ 0.347963 0 0.541875 ] [ 0.15465 0.5 0.373003 ] [ 0.152357 0.5 0.708817 ] [ 0.13948 0 0.056744 ] [ 0.017236 0 0.903608 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.2528895 "source-unit" "angstrom" } "b" { "source-value" 3.13674132 "source-unit" "angstrom" } "c" { "source-value" 14.26019778 "source-unit" "angstrom" } "beta" { "source-value" 90.06203762 "source-unit" "degree" } }