{ "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" [ [ 0.290075 0.816678 0.103313 ] [ 0.318722 0.333205 0.425606 ] [ 0.681278 0.666795 0.574394 ] [ 0.709925 0.183322 0.896687 ] [ 0.152189 0.054335 0.692393 ] [ 0.192012 0.541794 0.784414 ] [ 0.807988 0.458206 0.215586 ] [ 0.847811 0.945665 0.307607 ] [ 0.241619 0.719693 0.43605 ] [ 0.221545 0.218556 0.082876 ] [ 0.778455 0.781444 0.917124 ] [ 0.758381 0.280307 0.56395 ] [ 0.052606 0.830407 0.517095 ] [ 0.038272 0.712135 0.930227 ] [ 0.12405 0.653696 0.267639 ] [ 0.266675 0.561784 0.539871 ] [ 0.16674 0.041683 0.172137 ] [ 0.42146 0.356698 0.184811 ] [ 0.333728 0.189791 0.913429 ] [ 0.521268 0.82836 0.419041 ] [ 0.478732 0.17164 0.580959 ] [ 0.666272 0.810209 0.086571 ] [ 0.57854 0.643302 0.815189 ] [ 0.83326 0.958317 0.827863 ] [ 0.733325 0.438216 0.460129 ] [ 0.87595 0.346304 0.732361 ] [ 0.961728 0.287865 0.069773 ] [ 0.947394 0.169593 0.482905 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 5.21548936 "source-unit" "angstrom" } "b" { "source-value" 7.74731971 "source-unit" "angstrom" } "c" { "source-value" 8.34986156 "source-unit" "angstrom" } "alpha" { "source-value" 92.54521296 "source-unit" "degree" } "beta" { "source-value" 89.56086578 "source-unit" "degree" } "gamma" { "source-value" 102.2333205 "source-unit" "degree" } }