{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.816379 0 0.478805 ] [ 0.796814 0.5 0.889951 ] [ 0.201706 0.5 0.105107 ] [ 0.316379 0.5 0.478805 ] [ 0.296814 0 0.889951 ] [ 0.701706 0 0.105107 ] [ 0.999336 0 0.997731 ] [ 0.499336 0.5 0.997731 ] [ 0.944747 0.5 0.352009 ] [ 0.186019 0 0.600397 ] [ 0.444747 0 0.352009 ] [ 0.686019 0.5 0.600397 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "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" 7.92150832605 "source-unit" "angstrom" } "b" { "source-value" 4.4868211813 "source-unit" "angstrom" } "c" { "source-value" 12.1828030288 "source-unit" "angstrom" } "beta" { "source-value" 101.563309002 "source-unit" "degree" } }