{ "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" [ [ 0.572152 0.357306 0.35892 ] [ 0.427848 0.642694 0.64108 ] [ 0.279655 0.925692 0.926587 ] [ 0.720345 0.074308 0.073413 ] [ 0.359719 0.788449 0.281118 ] [ 0.640281 0.211551 0.718882 ] [ 0.070134 0.36202 0.855528 ] [ 0.787361 0.923815 0.431406 ] [ 0.212639 0.076185 0.568594 ] [ 0.5 0.5 1 ] [ 0.929866 0.63798 0.144472 ] [ 0.274362 0.522845 0.227624 ] [ 0.338662 0.332607 0.620426 ] [ 0.661338 0.667393 0.379574 ] [ 0.126052 0.810509 0.506764 ] [ 0.485778 0.044339 0.326001 ] [ 0.725638 0.477155 0.772376 ] [ 0.412454 0.233816 0.944661 ] [ 0.873948 0.189491 0.493236 ] [ 0.193655 0.615412 0.90358 ] [ 0.806345 0.384588 0.09642 ] [ 0.514222 0.955661 0.673999 ] [ 0.952278 0.105619 0.819168 ] [ 0.587546 0.766184 0.055339 ] [ 0.047722 0.894381 0.180832 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 4.9200306 "source-unit" "angstrom" } "b" { "source-value" 6.43202135 "source-unit" "angstrom" } "c" { "source-value" 7.65457935 "source-unit" "angstrom" } "alpha" { "source-value" 87.79653399 "source-unit" "degree" } "beta" { "source-value" 79.38053567 "source-unit" "degree" } "gamma" { "source-value" 83.73046759 "source-unit" "degree" } }