{ "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" [ [ 0.00343 0.41867 0.718131 ] [ 0.993925 0.011125 0.024596 ] [ 0.503316 0.531594 0.495315 ] [ 0.007413 0.011094 0.501599 ] [ 0.496871 0.530394 0.014785 ] [ 0.716292 0.236816 0.586129 ] [ 0.856177 0.023073 0.265526 ] [ 0.681482 0.840401 0.944901 ] [ 0.821222 0.70206 0.589251 ] [ 0.18105 0.703253 0.081744 ] [ 0.641035 0.519227 0.257018 ] [ 0.357433 0.536073 0.757451 ] [ 0.814959 0.34286 0.943477 ] [ 0.172972 0.349672 0.474302 ] [ 0.310154 0.211667 0.076701 ] [ 0.108532 0.061299 0.763143 ] [ 0.333736 0.852121 0.446631 ] ] } "species" { "source-value" [ "Fe" "Sb" "Sb" "Sb" "Sb" "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" 5.15936324 "source-unit" "angstrom" } "b" { "source-value" 5.4816271 "source-unit" "angstrom" } "c" { "source-value" 7.57201872 "source-unit" "angstrom" } "alpha" { "source-value" 85.32388488 "source-unit" "degree" } "beta" { "source-value" 89.94920294 "source-unit" "degree" } "gamma" { "source-value" 89.93778735 "source-unit" "degree" } }