{ "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" [ [ 0.630595 0.195038 0.582745 ] [ 0.896966 0.616727 0.756998 ] [ 0.369405 0.804962 0.417255 ] [ 0.103034 0.383273 0.243002 ] [ 0.355903 0.886801 0.954399 ] [ 0.644097 0.113199 0.045601 ] [ 0.134615 0.120524 0.648472 ] [ 0.865385 0.879476 0.351528 ] [ 0.376399 0.521441 0.816452 ] [ 0.623601 0.478559 0.183548 ] [ 0.276999 0.147616 0.497223 ] [ 0.378874 0.071312 0.102312 ] [ 0.198576 0.53026 0.938698 ] [ 0.065234 0.936195 0.6761 ] [ 0.801424 0.46974 0.061302 ] [ 0.729029 0.889914 0.220733 ] [ 0.038568 0.708781 0.347354 ] [ 0.531797 0.298657 0.198085 ] [ 0.550628 0.349041 0.855534 ] [ 0.670675 0.477309 0.343386 ] [ 0.621126 0.928688 0.897688 ] [ 0.468203 0.701343 0.801915 ] [ 0.449372 0.650959 0.144466 ] [ 0.723001 0.852384 0.502777 ] [ 0.270971 0.110086 0.779267 ] [ 0.961432 0.291219 0.652646 ] [ 0.934766 0.063805 0.3239 ] [ 0.329325 0.522691 0.656614 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Te" "Te" "P" "P" "P" "P" "O" "O" "O" "O" "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" 7.06439338179 "source-unit" "angstrom" } "b" { "source-value" 7.51544342127 "source-unit" "angstrom" } "c" { "source-value" 9.03956798921 "source-unit" "angstrom" } "alpha" { "source-value" 76.8405768693 "source-unit" "degree" } "beta" { "source-value" 80.0159816988 "source-unit" "degree" } "gamma" { "source-value" 75.4764311365 "source-unit" "degree" } }