{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.779312 0.16752 0.558715 ] [ 0.220688 0.66752 0.941285 ] [ 0.220688 0.83248 0.441285 ] [ 0.779312 0.33248 0.058715 ] [ 0.242364 0.450233 0.654904 ] [ 0.757636 0.950233 0.845096 ] [ 0.757636 0.549767 0.345096 ] [ 0.242364 0.049767 0.154904 ] [ 0.337646 0.00898 0.678189 ] [ 0.167497 0.901755 0.035345 ] [ 0.167497 0.598245 0.535345 ] [ 0.832503 0.098245 0.964655 ] [ 0.277693 0.198472 0.26015 ] [ 0.722307 0.698472 0.23985 ] [ 0.722307 0.801528 0.73985 ] [ 0.662354 0.50898 0.821811 ] [ 0.662354 0.99102 0.321811 ] [ 0.337646 0.49102 0.178189 ] [ 0.277693 0.301528 0.76015 ] [ 0.832503 0.401755 0.464655 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.27680597482 "source-unit" "angstrom" } "b" { "source-value" 13.88051056 "source-unit" "angstrom" } "c" { "source-value" 8.96519415322 "source-unit" "angstrom" } "beta" { "source-value" 100.145287724 "source-unit" "degree" } }