{ "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" [ [ 0.663271 0.324312 0.899665 ] [ 0.99398 0.988151 0.984245 ] [ 0.002869 0.004232 0.496 ] [ 0.330799 0.665911 0.409042 ] [ 0.340863 0.183775 0.216895 ] [ 0.836722 0.175342 0.214042 ] [ 0.163166 0.343379 0.71903 ] [ 0.828741 0.659895 0.209285 ] [ 0.179755 0.838414 0.71046 ] [ 0.660467 0.83605 0.710469 ] [ 0.671183 0.34393 0.491131 ] [ 0.340835 0.681685 0.98206 ] [ 0.339254 0.173016 0.593236 ] [ 0.521282 0.042461 0.340217 ] [ 0.65483 0.310622 0.107404 ] [ 0.006301 0.007707 0.305524 ] [ 0.003194 0.011638 0.799226 ] [ 0.840722 0.181166 0.595535 ] [ 0.500211 0.467117 0.341585 ] [ 0.961508 0.467269 0.338864 ] [ 0.167908 0.33142 0.10529 ] [ 0.833655 0.663234 0.582999 ] [ 0.032228 0.506893 0.847929 ] [ 0.463685 0.500419 0.857092 ] [ 0.327284 0.641083 0.60787 ] [ 0.180732 0.839957 0.095121 ] [ 0.481459 0.963484 0.850135 ] [ 0.672796 0.84744 0.097491 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ni" "Ni" "Ni" "W" "W" "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" 5.94888252 "source-unit" "angstrom" } "b" { "source-value" 5.96820216 "source-unit" "angstrom" } "c" { "source-value" 9.74888102 "source-unit" "angstrom" } "alpha" { "source-value" 91.18679998 "source-unit" "degree" } "beta" { "source-value" 89.71358328 "source-unit" "degree" } "gamma" { "source-value" 119.64182983 "source-unit" "degree" } }