{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.726986 0.781543 0.749901 ] [ 0.273014 0.218457 0.250099 ] [ 0.908767 0.200906 0.371307 ] [ 0.091233 0.799094 0.628693 ] [ 0.541538 0.850783 0.37432 ] [ 0.458462 0.149217 0.62568 ] [ 0.358639 0.750835 0.87345 ] [ 0.641361 0.249165 0.12655 ] [ 0.711744 0.045386 0.875383 ] [ 0.288256 0.954614 0.124617 ] [ 0.989021 0.419428 0.870878 ] [ 0.010979 0.580572 0.129122 ] [ 0.752524 0.507031 0.625985 ] [ 0.247476 0.492969 0.374015 ] ] } "species" { "source-value" [ "Cu" "Cu" "Pt" "Pt" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02854647003 "source-unit" "angstrom" } "b" { "source-value" 5.04458692441 "source-unit" "angstrom" } "c" { "source-value" 9.72806976707 "source-unit" "angstrom" } "alpha" { "source-value" 76.103225228 "source-unit" "degree" } "beta" { "source-value" 76.0487662951 "source-unit" "degree" } "gamma" { "source-value" 60.8511366504 "source-unit" "degree" } }