{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.641253 0.75 0.73324 ] [ 0.358747 0.25 0.26676 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.491835 0.25 0.760294 ] [ 0.508165 0.75 0.239706 ] [ 0.167604 0.75 0.755437 ] [ 0.832396 0.25 0.244563 ] [ 0.700797 0.45797 0.800107 ] [ 0.299203 0.95797 0.199893 ] [ 0.237566 0.25 0.936667 ] [ 0.700797 0.04203 0.800107 ] [ 0.677952 0.75 0.453526 ] [ 0.322048 0.25 0.546474 ] [ 0.299203 0.54203 0.199893 ] [ 0.762434 0.75 0.063333 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "As" "As" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.9183831325 "source-unit" "angstrom" } "b" { "source-value" 6.6601638 "source-unit" "angstrom" } "c" { "source-value" 6.93260527985 "source-unit" "angstrom" } "beta" { "source-value" 91.8292479533 "source-unit" "degree" } }