{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.016886 0.6379 0.068689 ] [ 0.983114 0.3621 0.931311 ] [ 0.165342 0.657722 0.667721 ] [ 0.711085 0.812481 0.762557 ] [ 0.288915 0.187519 0.237443 ] [ 0.834658 0.342278 0.332279 ] [ 0.96903 0.618017 0.844794 ] [ 0.03097 0.381983 0.155206 ] [ 0.186268 0.685374 0.394703 ] [ 0.254673 0.216598 0.5042 ] [ 0.257037 0.889247 0.597844 ] [ 0.660234 0.663152 0.5923 ] [ 0.688121 0.444969 0.975795 ] [ 0.574783 0.116093 0.123457 ] [ 0.426622 0.468885 0.802805 ] [ 0.384913 0.370371 0.699024 ] [ 0.265757 0.944819 0.175992 ] [ 0.742963 0.110753 0.402156 ] [ 0.750462 0.367178 0.828396 ] [ 0.469432 0.499416 0.626269 ] [ 0.201519 0.955719 0.346648 ] [ 0.175647 0.094223 0.91023 ] [ 0.533012 0.687092 0.928328 ] [ 0.144608 0.211111 0.749385 ] [ 0.904101 0.439349 0.535638 ] [ 0.425217 0.883907 0.876543 ] [ 0.061513 0.96175 0.655132 ] [ 0.989964 0.758612 0.446361 ] [ 0.813732 0.314626 0.605297 ] [ 0.311879 0.555031 0.024205 ] [ 0.745327 0.783402 0.4958 ] [ 0.217597 0.751758 0.012094 ] [ 0.207228 0.865558 0.773498 ] [ 0.555971 0.817573 0.007481 ] [ 0.400636 0.881335 0.303021 ] [ 0.938487 0.03825 0.344868 ] [ 0.573378 0.531115 0.197195 ] [ 0.734243 0.055181 0.824008 ] [ 0.792772 0.134442 0.226502 ] [ 0.782403 0.248242 0.987906 ] [ 0.444029 0.182427 0.992519 ] [ 0.730846 0.782684 0.14246 ] [ 0.269154 0.217316 0.85754 ] [ 0.095899 0.560651 0.464362 ] [ 0.466988 0.312908 0.071672 ] [ 0.339766 0.336848 0.4077 ] [ 0.548168 0.859646 0.546126 ] [ 0.798481 0.044281 0.653352 ] [ 0.824353 0.905777 0.08977 ] [ 0.249538 0.632822 0.171604 ] [ 0.010036 0.241387 0.553639 ] [ 0.599364 0.118665 0.696979 ] [ 0.855392 0.788889 0.250615 ] [ 0.451832 0.140354 0.453874 ] [ 0.530568 0.500584 0.373731 ] [ 0.615087 0.629629 0.300976 ] [ 0.46454 0.202122 0.087619 ] [ 0.161288 0.20697 0.854731 ] [ 0.101074 0.666384 0.469844 ] [ 0.611635 0.523128 0.295661 ] [ 0.838712 0.79303 0.145269 ] [ 0.173485 0.869317 0.674357 ] [ 0.826515 0.130683 0.325643 ] [ 0.288549 0.965838 0.269701 ] [ 0.898926 0.333616 0.530156 ] [ 0.711451 0.034162 0.730299 ] [ 0.218844 0.643722 0.068827 ] [ 0.338771 0.225359 0.423543 ] [ 0.388365 0.476872 0.704339 ] [ 0.781156 0.356278 0.931173 ] [ 0.661229 0.774641 0.576457 ] [ 0.53546 0.797878 0.912381 ] ] } "species" { "source-value" [ "Al" "Al" "Sn" "Sn" "Sn" "Sn" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.7031729505 "source-unit" "angstrom" } "b" { "source-value" 10.0259687811 "source-unit" "angstrom" } "c" { "source-value" 10.2417181542 "source-unit" "angstrom" } "alpha" { "source-value" 76.8606897656 "source-unit" "degree" } "beta" { "source-value" 82.2492263221 "source-unit" "degree" } "gamma" { "source-value" 64.9901781858 "source-unit" "degree" } }