{ "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" [ [ 0.001222 0.521708 0.255294 ] [ 0.001777 0.983292 0.981965 ] [ 0.498766 0.477101 0.498428 ] [ 0.004111 0.975731 0.493816 ] [ 0.496789 0.472866 0.981317 ] [ 0.69828 0.775707 0.428476 ] [ 0.875605 0.978137 0.737713 ] [ 0.69418 0.172504 0.04835 ] [ 0.814363 0.291775 0.421408 ] [ 0.189033 0.288466 0.926638 ] [ 0.626528 0.475317 0.739319 ] [ 0.37361 0.471706 0.239195 ] [ 0.810242 0.663666 0.050999 ] [ 0.186411 0.660109 0.545224 ] [ 0.305966 0.781358 0.927798 ] [ 0.109489 0.964299 0.23692 ] [ 0.313627 0.164858 0.54644 ] ] } "species" { "source-value" [ "Cu" "Te" "Te" "Te" "Te" "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" 5.21718558 "source-unit" "angstrom" } "b" { "source-value" 5.43144646 "source-unit" "angstrom" } "c" { "source-value" 7.54318097 "source-unit" "angstrom" } "alpha" { "source-value" 86.94718009 "source-unit" "degree" } "beta" { "source-value" 89.87712583 "source-unit" "degree" } "gamma" { "source-value" 89.89496164 "source-unit" "degree" } }