{ "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" [ [ 0.51684 0.007795 0.744621 ] [ 0.48316 0.992205 0.255379 ] [ 0.266854 0.508 0.876886 ] [ 0.733146 0.492 0.123114 ] [ 0.741555 0.540523 0.632737 ] [ 0.258445 0.459477 0.367263 ] [ 0 1 0.5 ] [ 0 0 0 ] [ 0.464028 0.627795 0.179121 ] [ 0.535972 0.372205 0.820879 ] [ 0.276095 0.944484 0.946211 ] [ 0.723905 0.055516 0.053789 ] [ 0.276379 0.941732 0.520167 ] [ 0.723621 0.058268 0.479833 ] [ 0.533444 0.343204 0.358221 ] [ 0.466556 0.656796 0.641779 ] [ 0.889618 0.698631 0.961425 ] [ 0.110382 0.301369 0.038575 ] [ 0.107373 0.301563 0.614958 ] [ 0.892627 0.698437 0.385042 ] [ 0.904781 0.927772 0.731515 ] [ 0.095219 0.072228 0.268485 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Sb" "Sb" "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" 6.69533366546 "source-unit" "angstrom" } "b" { "source-value" 7.03391445096 "source-unit" "angstrom" } "c" { "source-value" 7.70499888951 "source-unit" "angstrom" } "alpha" { "source-value" 106.250514833 "source-unit" "degree" } "beta" { "source-value" 89.5112798336 "source-unit" "degree" } "gamma" { "source-value" 103.130646322 "source-unit" "degree" } }