{ "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" [ [ 0.498741 0.834104 0.666704 ] [ 0.521138 0.47095 0.000212 ] [ 0.500666 0.166322 0.333179 ] [ 0.000312 0.333681 0.667325 ] [ 0.999978 0.666389 0.33301 ] [ 0.997849 0.013698 0.000224 ] [ 0.025978 0.299934 0.99904 ] [ 0.027102 0.632384 0.666582 ] [ 0.024265 0.965717 0.333302 ] [ 0.552832 0.934788 0.862956 ] [ 0.468997 0.734934 0.469406 ] [ 0.464836 0.400498 0.803014 ] [ 0.537484 0.595576 0.196767 ] [ 0.531253 0.264944 0.530713 ] [ 0.44382 0.072299 0.136112 ] [ 0.974686 0.03395 0.666289 ] [ 0.955108 0.71224 0.000895 ] [ 0.974956 0.367589 0.334272 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "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" 3.27614083 "source-unit" "angstrom" } "b" { "source-value" 6.43031124 "source-unit" "angstrom" } "c" { "source-value" 10.39573413 "source-unit" "angstrom" } "alpha" { "source-value" 107.12494793 "source-unit" "degree" } "beta" { "source-value" 93.56757844 "source-unit" "degree" } "gamma" { "source-value" 94.23240776 "source-unit" "degree" } }