{ "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" [ [ 0.358246 0.801012 0.178975 ] [ 0.641754 0.198988 0.821025 ] [ 0.06715 0.145285 0.795609 ] [ 0.93285 0.854715 0.204391 ] [ 0.230062 0.731073 0.784162 ] [ 0.813962 0.621376 0.549965 ] [ 0.67579 0.744605 0.825523 ] [ 0.32421 0.255395 0.174477 ] [ 0.186038 0.378624 0.450035 ] [ 0.769938 0.268927 0.215838 ] [ 0.175708 0.870318 0.87295 ] [ 0.709641 0.720063 0.644454 ] [ 0.267416 0.482766 0.962282 ] [ 0.849298 0.36351 0.689423 ] [ 0.804612 0.926299 0.894415 ] [ 0.038032 0.74158 0.56455 ] [ 0.428215 0.814972 0.723622 ] [ 0.69451 0.713942 0.2933 ] [ 0.30549 0.286058 0.7067 ] [ 0.571785 0.185028 0.276378 ] [ 0.961968 0.25842 0.43545 ] [ 0.195388 0.073701 0.105585 ] [ 0.150702 0.63649 0.310577 ] [ 0.732584 0.517234 0.037718 ] [ 0.290359 0.279937 0.355546 ] [ 0.824292 0.129682 0.12705 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.09449786 "source-unit" "angstrom" } "b" { "source-value" 7.12342391 "source-unit" "angstrom" } "c" { "source-value" 7.71648102 "source-unit" "angstrom" } "alpha" { "source-value" 116.4853388 "source-unit" "degree" } "beta" { "source-value" 107.51817991 "source-unit" "degree" } "gamma" { "source-value" 97.96630305 "source-unit" "degree" } }