{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.975939 0.248992 0.989983 ] [ 0.357187 0.782963 0.83144 ] [ 0.652309 0.245946 0.673485 ] [ 0.975939 0.751008 0.489983 ] [ 0.357187 0.217037 0.33144 ] [ 0.652309 0.754054 0.173485 ] [ 0.640914 0.074092 0.832319 ] [ 0.640914 0.925908 0.332319 ] [ 0.289054 0.966501 0.987037 ] [ 0.07033 0.485516 0.84573 ] [ 0.365178 0.570126 0.667529 ] [ 0.934731 0.959857 0.652851 ] [ 0.289054 0.033499 0.487037 ] [ 0.714355 0.443436 0.519627 ] [ 0.07033 0.514484 0.34573 ] [ 0.934731 0.040143 0.152851 ] [ 0.365178 0.429874 0.167529 ] [ 0.714355 0.556564 0.019627 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "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" 4.59164136 "source-unit" "angstrom" } "b" { "source-value" 4.59601983 "source-unit" "angstrom" } "c" { "source-value" 10.31189973 "source-unit" "angstrom" } "beta" { "source-value" 111.75339822 "source-unit" "degree" } }