{ "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" [ [ 0.758545 0.644334 0.924375 ] [ 0.257625 0.498458 0.737967 ] [ 0.241455 0.144334 0.075625 ] [ 0.742375 0.998458 0.262033 ] [ 0.744542 0.998189 0.740211 ] [ 0.255458 0.498189 0.259789 ] [ 0.275774 0.821463 0.976059 ] [ 0.784485 0.677712 0.473219 ] [ 0.215515 0.177712 0.526781 ] [ 0.724226 0.321463 0.023941 ] [ 0.438884 0.855506 0.795847 ] [ 0.928175 0.628164 0.289629 ] [ 0.611002 0.426975 0.854236 ] [ 0.680745 0.144925 0.978735 ] [ 0.200023 0.356885 0.50307 ] [ 0.486125 0.625131 0.450302 ] [ 0.513875 0.125131 0.549698 ] [ 0.388998 0.926975 0.145764 ] [ 0.031114 0.355446 0.065947 ] [ 0.319255 0.644925 0.021265 ] [ 0.071825 0.128164 0.710371 ] [ 0.561116 0.355506 0.204153 ] [ 0.799977 0.856885 0.49693 ] [ 0.919988 0.609498 0.66783 ] [ 0.080012 0.109498 0.33217 ] [ 0.968886 0.855446 0.934053 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "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" 4.96785387 "source-unit" "angstrom" } "b" { "source-value" 8.64610936 "source-unit" "angstrom" } "c" { "source-value" 6.77786342 "source-unit" "angstrom" } "beta" { "source-value" 94.96031517 "source-unit" "degree" } }