{ "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" [ [ 0.999478 0.511634 0.995352 ] [ 0.54694 0.810274 0.832922 ] [ 0.49876 0.514382 0.511009 ] [ 0.50124 0.014382 0.488991 ] [ 0.45306 0.310274 0.167078 ] [ 0.000522 0.011634 0.004648 ] [ 0.98357 0.255736 0.70592 ] [ 0.01643 0.755736 0.29408 ] [ 0.022176 0.759529 0.653129 ] [ 0.977824 0.259529 0.346871 ] [ 0.50977 0.259368 0.847131 ] [ 0.49023 0.759368 0.152869 ] [ 0.679591 0.258551 0.952151 ] [ 0.269438 0.250319 0.881725 ] [ 0.92637 0.945409 0.745992 ] [ 0.956967 0.565337 0.743961 ] [ 0.578435 0.264889 0.70977 ] [ 0.309187 0.776926 0.629817 ] [ 0.880275 0.753048 0.501173 ] [ 0.119725 0.253048 0.498827 ] [ 0.690813 0.276926 0.370183 ] [ 0.421565 0.764889 0.29023 ] [ 0.043033 0.065337 0.256039 ] [ 0.07363 0.445409 0.254008 ] [ 0.730562 0.750319 0.118275 ] [ 0.320409 0.758551 0.047849 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mg" "Mg" "P" "P" "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" 5.30337111 "source-unit" "angstrom" } "b" { "source-value" 6.58475513 "source-unit" "angstrom" } "c" { "source-value" 9.02018654 "source-unit" "angstrom" } "beta" { "source-value" 90.28926044 "source-unit" "degree" } }