{ "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" [ [ 0.448955 0.903136 0.885743 ] [ 0.31522 0.427149 0.668008 ] [ 0.267874 0.503194 0.391473 ] [ 0.694332 0.573544 0.3378 ] [ 0.071319 0.752285 0.548852 ] [ 0.279096 0.808216 0.27967 ] [ 0.015989 0.005679 0.014237 ] [ 0.660857 0.569868 0.913316 ] [ 0.347301 0.428514 0.084722 ] [ 0.724766 0.200211 0.718499 ] [ 0.918327 0.254168 0.456599 ] [ 0.09805 0.590205 0.830744 ] [ 0.236385 0.149534 0.773257 ] [ 0.599704 0.770252 0.628902 ] [ 0.397846 0.229536 0.374679 ] [ 0.765325 0.852293 0.227841 ] [ 0.903792 0.405322 0.163912 ] [ 0.125364 0.778921 0.913074 ] [ 0.077722 0.556803 0.662422 ] [ 0.248699 0.964563 0.724413 ] [ 0.035049 0.186081 0.669273 ] [ 0.220362 0.177692 0.934192 ] [ 0.309074 0.539182 0.90463 ] [ 0.118056 0.533532 0.168739 ] [ 0.377007 0.755109 0.501824 ] [ 0.251139 0.290899 0.461967 ] [ 0.450525 0.269984 0.775176 ] [ 0.543244 0.638908 0.711974 ] [ 0.691912 0.94989 0.748348 ] [ 0.278699 0.05492 0.250188 ] [ 0.453735 0.372222 0.299884 ] [ 0.549489 0.731737 0.225716 ] [ 0.752191 0.726583 0.543202 ] [ 0.606216 0.216679 0.490799 ] [ 0.894788 0.467603 0.840161 ] [ 0.695733 0.458912 0.093518 ] [ 0.770876 0.824554 0.062144 ] [ 0.962601 0.800248 0.323294 ] [ 0.771695 0.037429 0.285757 ] [ 0.931013 0.439405 0.334507 ] [ 0.893593 0.223982 0.080464 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "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" 6.63916816 "source-unit" "angstrom" } "b" { "source-value" 8.30625621 "source-unit" "angstrom" } "c" { "source-value" 9.7470481 "source-unit" "angstrom" } "alpha" { "source-value" 102.62277257 "source-unit" "degree" } "beta" { "source-value" 106.48256961 "source-unit" "degree" } "gamma" { "source-value" 101.13725103 "source-unit" "degree" } }