{ "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" [ [ 0.1767 0.276219 0.27519 ] [ 0.584733 0.753497 0.262921 ] [ 0.415267 0.246503 0.737079 ] [ 0.8233 0.723781 0.72481 ] [ 0.676836 0.216371 0.273079 ] [ 0.104031 0.761459 0.33273 ] [ 0.895969 0.238541 0.66727 ] [ 0.323164 0.783629 0.726921 ] [ 0.715838 0.679566 0.00175 ] [ 0.842409 0.334752 0.294334 ] [ 0.226842 0.933985 0.321118 ] [ 0.215778 0.609623 0.253099 ] [ 0.693961 0.063888 0.17304 ] [ 0.485583 0.28237 0.369974 ] [ 0.895357 0.742135 0.418187 ] [ 0.104643 0.257865 0.581813 ] [ 0.514417 0.71763 0.630026 ] [ 0.306039 0.936112 0.82696 ] [ 0.784222 0.390377 0.746901 ] [ 0.773158 0.066015 0.678882 ] [ 0.157591 0.665248 0.705666 ] [ 0.284162 0.320434 0.99825 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "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" 6.39148278 "source-unit" "angstrom" } "b" { "source-value" 6.60235628 "source-unit" "angstrom" } "c" { "source-value" 7.43190108 "source-unit" "angstrom" } "alpha" { "source-value" 79.55572261 "source-unit" "degree" } "beta" { "source-value" 81.17109973 "source-unit" "degree" } "gamma" { "source-value" 87.4140623 "source-unit" "degree" } }