{ "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" [ [ 0.729289 0.452153 0.599038 ] [ 0.270711 0.547847 0.400962 ] [ 0.614991 0.675726 0.926979 ] [ 0.385009 0.324274 0.073021 ] [ 0.407189 0.431558 0.848681 ] [ 0.592811 0.568442 0.151319 ] [ 0.254488 0.095509 0.434486 ] [ 0.745512 0.904491 0.565514 ] [ 0.149578 0.231369 0.580319 ] [ 0.850422 0.768631 0.419681 ] [ 0.706018 0.322182 0.26419 ] [ 0.293982 0.677818 0.73581 ] [ 0.805395 0.122547 0.264267 ] [ 0.194605 0.877453 0.735733 ] [ 0.897197 0.172779 0.872608 ] [ 0.102803 0.827221 0.127392 ] [ 0.842145 0.175954 0.68535 ] [ 0.157855 0.824046 0.31465 ] [ 0.213232 0.16737 0.883244 ] [ 0.786768 0.83263 0.116756 ] [ 0.508376 0.579158 0.829828 ] [ 0.491624 0.420842 0.170172 ] [ 0.289498 0.252283 0.509871 ] [ 0.710502 0.747717 0.490129 ] [ 0.823832 0.283052 0.322109 ] [ 0.176168 0.716948 0.677891 ] ] } "species" { "source-value" [ "Na" "Na" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Br" "Br" "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" 5.52612441939 "source-unit" "angstrom" } "b" { "source-value" 6.48748754857 "source-unit" "angstrom" } "c" { "source-value" 9.08716109957 "source-unit" "angstrom" } "alpha" { "source-value" 107.366010229 "source-unit" "degree" } "beta" { "source-value" 87.843694087 "source-unit" "degree" } "gamma" { "source-value" 109.407850759 "source-unit" "degree" } }