{ "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" [ [ 0.660675 0.841269 0.999971 ] [ 0.339325 0.158731 0.000029 ] [ 0.725006 0.073307 0.226458 ] [ 0.274994 0.926693 0.773542 ] [ 0.425736 0.427412 0.216767 ] [ 0.574264 0.572588 0.783233 ] [ 0.926904 0.219464 0.781304 ] [ 0.073096 0.780537 0.218696 ] ] } "species" { "source-value" [ "Ti" "Ti" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.48267275485 "source-unit" "angstrom" } "b" { "source-value" 6.48822598955 "source-unit" "angstrom" } "c" { "source-value" 7.78059506847 "source-unit" "angstrom" } "alpha" { "source-value" 114.504514482 "source-unit" "degree" } "beta" { "source-value" 90.1109724863 "source-unit" "degree" } "gamma" { "source-value" 119.660456922 "source-unit" "degree" } }