{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.237614 0.150612 0.291951 ] [ 0.762386 0.150612 0.208049 ] [ 0.237614 0.849388 0.791951 ] [ 0.762386 0.849388 0.708049 ] [ 0.737614 0.650612 0.291951 ] [ 0.262386 0.650612 0.208049 ] [ 0.737614 0.349388 0.791951 ] [ 0.262386 0.349388 0.708049 ] [ 0.126916 0.047243 0.9717 ] [ 0.873084 0.047243 0.5283 ] [ 0.873084 0.952757 0.0283 ] [ 0 0.790902 0.25 ] [ 0 0.209098 0.75 ] [ 0.126916 0.952757 0.4717 ] [ 0.626916 0.547243 0.9717 ] [ 0.373084 0.547243 0.5283 ] [ 0.373084 0.452757 0.0283 ] [ 0.5 0.290902 0.25 ] [ 0.5 0.709098 0.75 ] [ 0.626916 0.452757 0.4717 ] [ 0 0.361627 0.25 ] [ 0 0.638373 0.75 ] [ 0.5 0.861627 0.25 ] [ 0.5 0.138373 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.44821541679 "source-unit" "angstrom" } "b" { "source-value" 9.65132844139 "source-unit" "angstrom" } "c" { "source-value" 8.18268890517 "source-unit" "angstrom" } "beta" { "source-value" 101.182483521 "source-unit" "degree" } }