{ "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" [ [ 0.768382 0.25 0.079268 ] [ 0.245337 0.008082 0.251106 ] [ 0.245337 0.491918 0.251106 ] [ 0.754663 0.508082 0.748894 ] [ 0.754663 0.991918 0.748894 ] [ 0.231618 0.75 0.920732 ] [ 0.766968 0.75 0.356837 ] [ 0.233032 0.25 0.643163 ] [ 0.708752 0.25 0.399205 ] [ 0.291248 0.75 0.600795 ] [ 0.730447 0.75 0.049347 ] [ 0.269553 0.25 0.950653 ] [ 0.274756 0.25 0.085204 ] [ 0.946409 0.75 0.118012 ] [ 0.521976 0.75 0.117557 ] [ 0.813395 0.067539 0.305491 ] [ 0.813395 0.432461 0.305491 ] [ 0.386872 0.25 0.394673 ] [ 0.194864 0.75 0.425479 ] [ 0.805136 0.25 0.574521 ] [ 0.613128 0.75 0.605327 ] [ 0.186605 0.567539 0.694509 ] [ 0.186605 0.932461 0.694509 ] [ 0.478024 0.25 0.882443 ] [ 0.053591 0.25 0.881988 ] [ 0.725244 0.75 0.914796 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "As" "As" "C" "C" "O" "O" "O" "O" "O" "O" "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" 5.34704075 "source-unit" "angstrom" } "b" { "source-value" 7.4531471 "source-unit" "angstrom" } "c" { "source-value" 9.59757553 "source-unit" "angstrom" } "beta" { "source-value" 91.41101041 "source-unit" "degree" } }