{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.387166 0.144831 0.75 ] [ 0.117717 0.584785 0.25 ] [ 0.293264 0.7325 0.25 ] [ 0.757995 0.828041 0.25 ] [ 0.070046 0.242005 0.25 ] [ 0.929954 0.757995 0.75 ] [ 0.586748 0.68009 0.25 ] [ 0.093342 0.413252 0.25 ] [ 0.171959 0.929954 0.25 ] [ 0.144831 0.757665 0.25 ] [ 0.68009 0.093342 0.75 ] [ 0.413252 0.31991 0.75 ] [ 0.242335 0.387166 0.25 ] [ 0.560764 0.293264 0.75 ] [ 0.706736 0.2675 0.75 ] [ 0.2675 0.560764 0.25 ] [ 0.855169 0.242335 0.75 ] [ 0.439236 0.706736 0.25 ] [ 0.584785 0.467067 0.75 ] [ 0.882283 0.415215 0.75 ] [ 0.7325 0.439236 0.75 ] [ 0.31991 0.906658 0.25 ] [ 0.415215 0.532933 0.25 ] [ 0.532933 0.117717 0.75 ] [ 0.612834 0.855169 0.25 ] [ 0.828041 0.070046 0.75 ] [ 0.906658 0.586748 0.75 ] [ 0.242005 0.171959 0.75 ] [ 0.467067 0.882283 0.25 ] [ 0.757665 0.612834 0.75 ] [ 0.652659 0.788358 0.75 ] [ 0.800683 0.757702 0.75 ] [ 0.370128 0.3895 0.25 ] [ 0.307949 0.493466 0.75 ] [ 0.359864 0.840381 0.75 ] [ 0.543616 0.536671 0.25 ] [ 0.199317 0.242298 0.25 ] [ 0.006946 0.543616 0.75 ] [ 0.114204 0.174565 0.75 ] [ 0.957019 0.199317 0.75 ] [ 0.934221 0.035404 0.75 ] [ 0.135698 0.347341 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.042981 0.800683 0.25 ] [ 0.456384 0.463329 0.75 ] [ 0.035404 0.101183 0.25 ] [ 0.536671 0.993054 0.75 ] [ 0.101183 0.065779 0.75 ] [ 0.964596 0.898817 0.75 ] [ 0.640136 0.159619 0.25 ] [ 0.814483 0.307949 0.25 ] [ 0.316276 0.031046 0.25 ] [ 0.242298 0.042981 0.75 ] [ 0.347341 0.211642 0.25 ] [ 0.031046 0.71477 0.75 ] [ 0.493466 0.185517 0.25 ] [ 0.519483 0.359864 0.25 ] [ 0.993054 0.456384 0.25 ] [ 0.3895 0.019372 0.75 ] [ 0.463329 0.006946 0.25 ] [ 0.71477 0.683724 0.25 ] [ 0.980628 0.370128 0.75 ] [ 0.060361 0.885796 0.75 ] [ 0.159619 0.519483 0.75 ] [ 0.019372 0.629872 0.25 ] [ 0.864302 0.652659 0.25 ] [ 0.692051 0.506534 0.25 ] [ 0.825435 0.939639 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.968954 0.28523 0.25 ] [ 0.788358 0.135698 0.25 ] [ 0.939639 0.114204 0.25 ] [ 0.211642 0.864302 0.75 ] [ 0.185517 0.692051 0.75 ] [ 0.885796 0.825435 0.25 ] [ 0.6105 0.980628 0.25 ] [ 0.174565 0.060361 0.25 ] [ 0.065779 0.964596 0.25 ] [ 0.757702 0.957019 0.25 ] [ 0.28523 0.316276 0.75 ] [ 0.898817 0.934221 0.25 ] [ 0.683724 0.968954 0.75 ] [ 0.629872 0.6105 0.75 ] [ 0.840381 0.480517 0.25 ] [ 0.506534 0.814483 0.75 ] [ 0.480517 0.640136 0.75 ] [ 0.572751 0.920231 0.75 ] [ 0.920231 0.34748 0.25 ] [ 0.053384 0.479021 0.75 ] [ 0.82291 0.716842 0.25 ] [ 0.861902 0.868629 0.75 ] [ 0.479021 0.425637 0.25 ] [ 0.131371 0.993273 0.75 ] [ 0.625318 0.399586 0.25 ] [ 0.893933 0.17709 0.25 ] [ 0.716842 0.893933 0.75 ] [ 0.520979 0.574363 0.75 ] [ 0.79791 0.545283 0.25 ] [ 0.868629 0.006727 0.25 ] [ 0.399586 0.774268 0.75 ] [ 0.721703 0.030224 0.25 ] [ 0.374682 0.600414 0.75 ] [ 0.252627 0.79791 0.75 ] [ 0.747373 0.20209 0.25 ] [ 0.225732 0.625318 0.75 ] [ 0.946616 0.520979 0.25 ] [ 0.574363 0.053384 0.25 ] [ 0.454717 0.252627 0.25 ] [ 0.006727 0.138098 0.75 ] [ 0.278297 0.969776 0.75 ] [ 0.427249 0.079769 0.25 ] [ 0.17709 0.283158 0.75 ] [ 0.283158 0.106067 0.25 ] [ 0.425637 0.946616 0.75 ] [ 0.600414 0.225732 0.25 ] [ 0.34748 0.427249 0.75 ] [ 0.106067 0.82291 0.75 ] [ 0.030224 0.308521 0.75 ] [ 0.079769 0.65252 0.75 ] [ 0.774268 0.374682 0.25 ] [ 0.308521 0.278297 0.25 ] [ 0.20209 0.454717 0.75 ] [ 0.545283 0.747373 0.75 ] [ 0.993273 0.861902 0.25 ] [ 0.969776 0.691479 0.25 ] [ 0.691479 0.721703 0.75 ] [ 0.65252 0.572751 0.25 ] [ 0.138098 0.131371 0.25 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 24.0447068583 "source-unit" "angstrom" } "c" { "source-value" 3.82990891 "source-unit" "angstrom" } }