{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.028696 0.033738 0.397166 ] [ 0.300391 0.277658 0.915905 ] [ 0.487108 0.507756 0.660619 ] [ 0.97881 0.003327 0.660852 ] [ 0.762801 0.749259 0.158783 ] [ 0.021 0.359846 0.375417 ] [ 0.266682 0.922776 0.881172 ] [ 0.485019 0.156864 0.629431 ] [ 0.239721 0.565368 0.136147 ] [ 0.772706 0.446894 0.878621 ] [ 0.529102 0.844985 0.388703 ] [ 0.963807 0.651273 0.628846 ] [ 0.74811 0.069458 0.127022 ] [ 0.027639 0.684681 0.375491 ] [ 0.267156 0.599672 0.875981 ] [ 0.479228 0.820446 0.637647 ] [ 0.235882 0.887755 0.127391 ] [ 0.514602 0.185984 0.376952 ] [ 0.763016 0.104642 0.875867 ] [ 0.971838 0.310636 0.618553 ] [ 0.733135 0.407058 0.132455 ] [ 0.023507 0.086761 0.863401 ] [ 0.112303 0.708433 0.840863 ] [ 0.167688 0.50032 0.92887 ] [ 0.083073 0.170916 0.611121 ] [ 0.090507 0.420215 0.582155 ] [ 0.241072 0.852964 0.679794 ] [ 0.255757 0.654913 0.32775 ] [ 0.513164 0.588045 0.85455 ] [ 0.622808 0.220114 0.844746 ] [ 0.420209 0.069532 0.41282 ] [ 0.368128 0.307341 0.371293 ] [ 0.638052 0.00843 0.91985 ] [ 0.350211 0.977763 0.074042 ] [ 0.594523 0.686304 0.633182 ] [ 0.588881 0.929226 0.597998 ] [ 0.39134 0.775205 0.160844 ] [ 0.462941 0.397827 0.111935 ] [ 0.738641 0.344131 0.661622 ] [ 0.767673 0.176547 0.348212 ] [ 0.938987 0.581558 0.423908 ] [ 0.897865 0.815214 0.371386 ] [ 0.855729 0.520135 0.099887 ] [ 0.880086 0.307168 0.179063 ] [ 0.987441 0.904202 0.147647 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.21850947 "source-unit" "angstrom" } "b" { "source-value" 9.11761349 "source-unit" "angstrom" } "c" { "source-value" 11.33062943 "source-unit" "angstrom" } "alpha" { "source-value" 112.35037586 "source-unit" "degree" } "beta" { "source-value" 102.55130263 "source-unit" "degree" } "gamma" { "source-value" 90.02449499 "source-unit" "degree" } }