{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.06818 0.821297 0.610064 ] [ 0.351386 0.065478 0.672299 ] [ 0.648614 0.934522 0.327701 ] [ 0.56818 0.678703 0.110064 ] [ 0.43182 0.321297 0.889936 ] [ 0.851386 0.434522 0.172299 ] [ 0.93182 0.178703 0.389936 ] [ 0.148614 0.565478 0.827701 ] [ 0.187449 0.908261 0.052566 ] [ 0.312551 0.408261 0.447434 ] [ 0.812551 0.091739 0.947434 ] [ 0.687449 0.591739 0.552566 ] [ 0.180607 0.968299 0.526536 ] [ 0.462749 0.828687 0.198466 ] [ 0.819393 0.031701 0.473464 ] [ 0.319393 0.468299 0.973464 ] [ 0.037251 0.328687 0.301534 ] [ 0.537251 0.171313 0.801534 ] [ 0.680607 0.531701 0.026536 ] [ 0.962749 0.671313 0.698466 ] [ 0.408636 0.697534 0.454617 ] [ 0.264217 0.927919 0.881828 ] [ 0.764217 0.572081 0.381828 ] [ 0.591364 0.302466 0.545383 ] [ 0.091364 0.197534 0.045383 ] [ 0.908636 0.802466 0.954617 ] [ 0.735783 0.072081 0.118172 ] [ 0.235783 0.427919 0.618172 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "Br" "Br" "Br" "Br" "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" 10.9630692537 "source-unit" "angstrom" } "b" { "source-value" 9.14531567 "source-unit" "angstrom" } "c" { "source-value" 13.6802010049 "source-unit" "angstrom" } "beta" { "source-value" 111.013044877 "source-unit" "degree" } }