{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.071518 0.277023 0.186384 ] [ 0.928482 0.777023 0.813616 ] [ 0.268511 0.755433 0.604072 ] [ 0.64405 0.286622 0.861258 ] [ 0.35595 0.786622 0.138742 ] [ 0.731489 0.255433 0.395928 ] [ 0.066241 0.925671 0.590031 ] [ 0.222193 0.586537 0.726321 ] [ 0.163872 0.5978 0.066597 ] [ 0.26909 0.890415 0.264655 ] [ 0.489666 0.887777 0.656698 ] [ 0.663966 0.471345 0.97494 ] [ 0.336034 0.971345 0.02506 ] [ 0.510334 0.387777 0.343302 ] [ 0.73091 0.390415 0.735345 ] [ 0.836128 0.0978 0.933403 ] [ 0.777807 0.086537 0.273679 ] [ 0.933759 0.425671 0.409969 ] ] } "species" { "source-value" [ "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" "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" 5.83140352 "source-unit" "angstrom" } "b" { "source-value" 5.61723739 "source-unit" "angstrom" } "c" { "source-value" 9.4485862 "source-unit" "angstrom" } "beta" { "source-value" 100.85644545 "source-unit" "degree" } }