{ "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" [ [ 0.458935 0 0.478924 ] [ 0.96326 0.5 0.062392 ] [ 0.922635 0 0.765234 ] [ 0.958935 0.5 0.478924 ] [ 0.46326 0 0.062392 ] [ 0.422635 0.5 0.765234 ] [ 0.194415 0 0.414862 ] [ 0.694415 0.5 0.414862 ] [ 0.701132 0.5 0.835609 ] [ 0.223623 0.5 0.12798 ] [ 0.201132 0 0.835609 ] [ 0.723623 0 0.12798 ] ] } "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" 22.9548775028 "source-unit" "angstrom" } "b" { "source-value" 4.60263128627 "source-unit" "angstrom" } "c" { "source-value" 12.3855624198 "source-unit" "angstrom" } "beta" { "source-value" 161.355114237 "source-unit" "degree" } }