{ "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" [ [ 0.678516 0.841951 0.494607 ] [ 0.82555 0.147768 0.008761 ] [ 0.164497 0.842919 0.004879 ] [ 0.322749 0.148162 0.490357 ] [ 0.920588 0.840277 0.25008 ] [ 0.238123 0.492234 0.249882 ] [ 0.741225 0.481481 0.749844 ] [ 0.085842 0.1714 0.750196 ] [ 0.504477 0.511485 0.004808 ] [ 0.003944 0.508643 0.496407 ] [ 0.420656 0.842512 0.750052 ] [ 0.585889 0.161563 0.250606 ] [ 0.206561 0.186646 0.130927 ] [ 0.981209 0.182135 0.370523 ] [ 0.380863 0.495371 0.630895 ] [ 0.116555 0.499563 0.869823 ] [ 0.525206 0.818094 0.133375 ] [ 0.285103 0.807697 0.371235 ] [ 0.708302 0.189982 0.620132 ] [ 0.483269 0.192301 0.879071 ] [ 0.89301 0.503873 0.130823 ] [ 0.606789 0.491443 0.362695 ] [ 0.034417 0.820333 0.634519 ] [ 0.786662 0.822167 0.865502 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.26038366 "source-unit" "angstrom" } "b" { "source-value" 5.28992633 "source-unit" "angstrom" } "c" { "source-value" 10.26072003 "source-unit" "angstrom" } "alpha" { "source-value" 84.75201016 "source-unit" "degree" } "beta" { "source-value" 101.24019043 "source-unit" "degree" } "gamma" { "source-value" 119.53465629 "source-unit" "degree" } }