{ "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 ] [ 0.438944 0.106738 0.759027 ] [ 0.561056 0.893262 0.240973 ] [ 0.240449 0.79914 0.124779 ] [ 0.703786 0.839875 0.073001 ] [ 0.667626 0.189107 0.409046 ] [ 0.64417 0.669523 0.336185 ] [ 0.296214 0.160125 0.926999 ] [ 0.332374 0.810893 0.590954 ] [ 0.35583 0.330477 0.663815 ] [ 0.759551 0.20086 0.875221 ] [ 0.151939 0.312155 0.266979 ] [ 0.848061 0.687845 0.733021 ] ] } "species" { "source-value" [ "Cu" "Cu" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.1350482334 "source-unit" "angstrom" } "b" { "source-value" 5.17325414193 "source-unit" "angstrom" } "c" { "source-value" 7.17523615364 "source-unit" "angstrom" } "alpha" { "source-value" 108.270081288 "source-unit" "degree" } "beta" { "source-value" 106.71288684 "source-unit" "degree" } "gamma" { "source-value" 96.4906664612 "source-unit" "degree" } }