{ "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" [ [ 0.220637 0.272426 0.070522 ] [ 0.703217 0.200101 0.569218 ] [ 0.245569 0.995814 0.752606 ] [ 0.248923 0.498239 0.74679 ] [ 0.755344 0.503542 0.249331 ] [ 0.751451 0.000469 0.249061 ] [ 0.24054 0.754152 0.084254 ] [ 0.261875 0.24414 0.418851 ] [ 0.740483 0.754653 0.583909 ] [ 0.759904 0.246279 0.918116 ] [ 0.14667 0.87732 0.97075 ] [ 0.073054 0.638653 0.224114 ] [ 0.230113 0.741713 0.670075 ] [ 0.283934 0.585915 0.984284 ] [ 0.191451 0.390682 0.520228 ] [ 0.060741 0.084585 0.310971 ] [ 0.452923 0.922784 0.173682 ] [ 0.265279 0.255083 0.829911 ] [ 0.654188 0.887506 0.472247 ] [ 0.429983 0.369521 0.279118 ] [ 0.566098 0.632286 0.717714 ] [ 0.363144 0.128826 0.532753 ] [ 0.733668 0.744753 0.169553 ] [ 0.555186 0.080172 0.816744 ] [ 0.947319 0.920268 0.681121 ] [ 0.794576 0.596958 0.481485 ] [ 0.699578 0.399724 0.019278 ] [ 0.767849 0.257314 0.329104 ] [ 0.922959 0.361277 0.773062 ] [ 0.867245 0.135447 0.032049 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 6.69799839 "source-unit" "angstrom" } "b" { "source-value" 6.97364066 "source-unit" "angstrom" } "c" { "source-value" 7.97266311 "source-unit" "angstrom" } "alpha" { "source-value" 89.85291293 "source-unit" "degree" } "beta" { "source-value" 91.02688779 "source-unit" "degree" } "gamma" { "source-value" 116.69209547 "source-unit" "degree" } }