{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.088131 0.985389 0.005782 ] [ 0.897329 0.404096 0.211714 ] [ 0.663325 0.816018 0.41668 ] [ 0.445586 0.310249 0.620806 ] [ 0.383336 0.724055 0.821214 ] [ 0.789099 0.339564 0.062663 ] [ 0.196727 0.047336 0.161539 ] [ 0.594919 0.762138 0.264689 ] [ 0.018109 0.473466 0.626364 ] [ 0.971114 0.46234 0.36792 ] [ 0.350568 0.167401 0.478045 ] [ 0.664401 0.792346 0.562863 ] [ 0.940226 0.851682 0.852445 ] [ 0.656112 0.7432 0.706541 ] [ 0.398256 0.133629 0.747186 ] [ 0.637275 0.19654 0.89166 ] [ 0.375487 0.610551 0.95189 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.40426792 "source-unit" "angstrom" } "b" { "source-value" 4.45307864 "source-unit" "angstrom" } "c" { "source-value" 17.84169921 "source-unit" "angstrom" } "alpha" { "source-value" 91.40573009 "source-unit" "degree" } "beta" { "source-value" 95.01309264 "source-unit" "degree" } "gamma" { "source-value" 119.10637899 "source-unit" "degree" } }