{ "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" [ [ 0.484822 0.742216 0.236271 ] [ 0.507663 0.253702 0.759397 ] [ 0.007949 0.500075 0.507478 ] [ 0.991308 0.99235 0.997906 ] [ 0.613838 0.799726 0.802465 ] [ 0.028766 0.803256 0.83632 ] [ 0.996272 0.807925 0.198776 ] [ 0.000618 0.183633 0.806688 ] [ 0.990688 0.188944 0.188087 ] [ 0.394185 0.202847 0.206245 ] [ 0.148217 0.872642 0.759224 ] [ 0.497738 0.821731 0.642985 ] [ 0.497223 0.651675 0.841811 ] [ 0.941371 0.615633 0.818887 ] [ 0.205931 0.329084 0.868022 ] [ 0.200742 0.857467 0.3273 ] [ 0.8351 0.171274 0.650962 ] [ 0.830729 0.668047 0.206213 ] [ 0.494329 0.364957 0.349837 ] [ 0.002955 0.160941 0.346857 ] [ 0.001936 0.350339 0.161874 ] [ 0.527302 0.163067 0.184886 ] ] } "species" { "source-value" [ "K" "K" "Ba" "Ni" "N" "N" "N" "N" "N" "N" "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" 7.62441625 "source-unit" "angstrom" } "b" { "source-value" 7.8102429 "source-unit" "angstrom" } "c" { "source-value" 7.92741612 "source-unit" "angstrom" } "alpha" { "source-value" 94.21306659 "source-unit" "degree" } "beta" { "source-value" 116.71286127 "source-unit" "degree" } "gamma" { "source-value" 117.35472054 "source-unit" "degree" } }