{ "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" [ [ 0.337329 0.666719 0.123916 ] [ 0.020281 0.980892 0.012764 ] [ 0.004942 0.981694 0.492692 ] [ 0.68645 0.334543 0.595953 ] [ 0.316844 0.681767 0.491437 ] [ 0.626579 0.337731 0.028821 ] [ 0.176117 0.836381 0.785672 ] [ 0.825271 0.66344 0.284561 ] [ 0.335632 0.174251 0.287409 ] [ 0.664394 0.829227 0.784073 ] [ 0.167765 0.340413 0.782657 ] [ 0.82638 0.172928 0.285678 ] [ 0.674668 0.864081 0.400806 ] [ 0.512939 0.536587 0.659381 ] [ 0.362741 0.68753 0.899294 ] [ 0.97579 0.975016 0.679688 ] [ 0.986162 0.011007 0.193243 ] [ 0.139019 0.324206 0.403611 ] [ 0.501158 0.963752 0.664559 ] [ 0.048537 0.527526 0.653616 ] [ 0.818644 0.13083 0.898436 ] [ 0.167094 0.83886 0.398389 ] [ 0.955835 0.45983 0.157853 ] [ 0.529956 0.037201 0.163326 ] [ 0.677058 0.329454 0.39441 ] [ 0.822872 0.679218 0.89797 ] [ 0.51102 0.48314 0.160829 ] [ 0.328822 0.152074 0.911115 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "Te" "Te" "Te" "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" 6.11584817 "source-unit" "angstrom" } "b" { "source-value" 6.15008974 "source-unit" "angstrom" } "c" { "source-value" 9.72599147 "source-unit" "angstrom" } "alpha" { "source-value" 89.70959451 "source-unit" "degree" } "beta" { "source-value" 90.88658464 "source-unit" "degree" } "gamma" { "source-value" 119.010261 "source-unit" "degree" } }