{ "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" [ [ 0.316929 0.380415 0.46176 ] [ 0.183071 0.880415 0.03824 ] [ 0.816929 0.119585 0.96176 ] [ 0.683071 0.619585 0.53824 ] [ 0.067087 0.826468 0.615401 ] [ 0.567087 0.673532 0.115401 ] [ 0.131477 0.568671 0.819005 ] [ 0.368523 0.068671 0.680995 ] [ 0.932913 0.173532 0.384599 ] [ 0.432913 0.326468 0.884599 ] [ 0.868523 0.431329 0.180995 ] [ 0.631477 0.931329 0.319005 ] [ 0.80399 0.030853 0.460073 ] [ 0.30399 0.469147 0.960073 ] [ 0.556984 0.182735 0.805555 ] [ 0.056984 0.317265 0.305555 ] [ 0.19601 0.969147 0.539927 ] [ 0.943016 0.682735 0.694445 ] [ 0.443016 0.817265 0.194445 ] [ 0.69601 0.530853 0.039927 ] [ 0.728512 0.055393 0.110293 ] [ 0.626967 0.336001 0.572558 ] [ 0.228512 0.444607 0.610293 ] [ 0.873033 0.836001 0.927442 ] [ 0.126967 0.163999 0.072558 ] [ 0.373033 0.663999 0.427442 ] [ 0.271488 0.944607 0.889707 ] [ 0.771488 0.555393 0.389707 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "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" 10.4563924014 "source-unit" "angstrom" } "b" { "source-value" 8.92768732 "source-unit" "angstrom" } "c" { "source-value" 14.415791655 "source-unit" "angstrom" } "beta" { "source-value" 110.6409994 "source-unit" "degree" } }