{ "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" [ [ 0.62142 0.39025 0.745631 ] [ 0.14225 0.877282 0.084397 ] [ 0.343673 0.831408 0.548953 ] [ 0.096864 0.357486 0.732852 ] [ 0.85775 0.122718 0.915603 ] [ 0.37858 0.60975 0.254369 ] [ 0.903136 0.642514 0.267148 ] [ 0.656327 0.168592 0.451047 ] [ 0.132953 0.231706 0.351517 ] [ 0.501184 0.288084 0.086063 ] [ 0.867047 0.768294 0.648483 ] [ 0.498816 0.711916 0.913937 ] [ 0.497128 0.881998 0.805924 ] [ 0.379218 0.176084 0.491449 ] [ 0.225823 0.305297 0.968606 ] [ 0.774177 0.694703 0.031394 ] [ 0.623527 0.489866 0.248037 ] [ 0.660562 0.279126 0.960073 ] [ 0.00647 0.93144 0.843618 ] [ 0.376473 0.510134 0.751963 ] [ 0.806032 0.225808 0.709618 ] [ 0.99353 0.06856 0.156382 ] [ 0.030217 0.770657 0.524185 ] [ 0.193968 0.774192 0.290382 ] [ 0.339438 0.720874 0.039927 ] [ 0.502872 0.118002 0.194076 ] [ 0.170186 0.440804 0.315615 ] [ 0.829814 0.559196 0.684385 ] [ 0.969783 0.229343 0.475815 ] [ 0.620782 0.823916 0.508551 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "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" 6.46449875666 "source-unit" "angstrom" } "b" { "source-value" 7.83313349252 "source-unit" "angstrom" } "c" { "source-value" 8.36564372871 "source-unit" "angstrom" } "alpha" { "source-value" 98.6697667552 "source-unit" "degree" } "beta" { "source-value" 112.228463256 "source-unit" "degree" } "gamma" { "source-value" 97.8281228044 "source-unit" "degree" } }