{ "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" [ [ 0.405343 0.25 0.86346 ] [ 0.594657 0.75 0.13654 ] [ 0.129527 0.61359 0.624395 ] [ 0.129527 0.88641 0.624395 ] [ 0.058414 0.120449 0.177498 ] [ 0.941586 0.620449 0.822502 ] [ 0.227579 0.114089 0.395 ] [ 0.972187 0.25 0.514872 ] [ 0.26107 0.25 0.186328 ] [ 0.772421 0.885911 0.605 ] [ 0.772421 0.614089 0.605 ] [ 0.227579 0.385911 0.395 ] [ 0.73893 0.75 0.813672 ] [ 0.870473 0.38641 0.375605 ] [ 0.027813 0.75 0.485128 ] [ 0.941586 0.879551 0.822502 ] [ 0.870473 0.11359 0.375605 ] [ 0.058414 0.379551 0.177498 ] [ 0.144534 0.25 0.362004 ] [ 0.855466 0.75 0.637996 ] [ 0.046848 0.75 0.591389 ] [ 0.953152 0.25 0.408611 ] [ 0.56561 0.25 0.108315 ] [ 0.035572 0.25 0.868331 ] [ 0.43439 0.75 0.891685 ] [ 0.530836 0.25 0.646808 ] [ 0.469164 0.75 0.353192 ] [ 0.964428 0.75 0.131669 ] [ 0.871512 0.75 0.783327 ] [ 0.128488 0.25 0.216673 ] ] } "species" { "source-value" [ "Hg" "Hg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "Br" "Br" "Br" "Br" "Br" "Br" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.18162996292 "source-unit" "angstrom" } "b" { "source-value" 6.52002685 "source-unit" "angstrom" } "c" { "source-value" 10.4286913306 "source-unit" "angstrom" } "beta" { "source-value" 97.5864220462 "source-unit" "degree" } }