{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.724699 0 0.561397 ] [ 0.275301 0 0.438603 ] [ 0.224699 0.5 0.561397 ] [ 0.775301 0.5 0.438603 ] [ 0.729997 0.5 0.779322 ] [ 0.890458 0 0.093833 ] [ 0.270003 0.5 0.220678 ] [ 0.109542 0 0.906167 ] [ 0.229997 0 0.779322 ] [ 0.390458 0.5 0.093833 ] [ 0.770003 0 0.220678 ] [ 0.609542 0.5 0.906167 ] [ 0.863618 0.5 0.651199 ] [ 0.685039 0 0.867334 ] [ 0.815215 0 0.77934 ] [ 0.919199 0.5 0.018609 ] [ 0.184785 0 0.22066 ] [ 0.136382 0.5 0.348801 ] [ 0.314961 0 0.132666 ] [ 0.080801 0.5 0.981391 ] [ 0.363618 0 0.651199 ] [ 0.185039 0.5 0.867334 ] [ 0.315215 0.5 0.77934 ] [ 0.419199 0 0.018609 ] [ 0.684785 0.5 0.22066 ] [ 0.636382 0 0.348801 ] [ 0.814961 0.5 0.132666 ] [ 0.580801 0 0.981391 ] [ 0.920309 0 0.525128 ] [ 0.079691 0 0.474872 ] [ 0.420309 0.5 0.525128 ] [ 0.579691 0.5 0.474872 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.2359753064 "source-unit" "angstrom" } "b" { "source-value" 3.89216915071 "source-unit" "angstrom" } "c" { "source-value" 17.8833451738 "source-unit" "angstrom" } "beta" { "source-value" 144.524430829 "source-unit" "degree" } }