{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.93564 0.088558 ] [ 0 0.56436 0.588558 ] [ 0 0.417446 0.884944 ] [ 0 0.582554 0.115056 ] [ 0 0.917446 0.615056 ] [ 0 0.082554 0.384944 ] [ 0 0.43564 0.411442 ] [ 0 0.06436 0.911442 ] [ 0.5 0.014536 0.757629 ] [ 0.5 0.247135 0.610253 ] [ 0.5 0.985464 0.242371 ] [ 0.5 0.485464 0.257629 ] [ 0.5 0.514536 0.742371 ] [ 0.5 0.747135 0.889747 ] [ 0.5 0.252865 0.110253 ] [ 0.5 0.752865 0.389747 ] [ 0.5 0.488061 0.614629 ] [ 0.5 0.009665 0.629454 ] [ 0.5 0.990335 0.370546 ] [ 0.5 0.988061 0.885371 ] [ 0.5 0.490335 0.129454 ] [ 0.5 0.509665 0.870546 ] [ 0.5 0.011939 0.114629 ] [ 0.5 0.511939 0.385371 ] [ 0 0.739748 0.015123 ] [ 0 0.744834 0.226424 ] [ 0 0.755166 0.726424 ] [ 0 0.260252 0.984877 ] [ 0 0.760252 0.515123 ] [ 0 0.255166 0.773576 ] [ 0 0.244834 0.273576 ] [ 0 0.239748 0.484877 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 4.09921924 "source-unit" "angstrom" } "b" { "source-value" 10.16259971 "source-unit" "angstrom" } "c" { "source-value" 19.05441351 "source-unit" "angstrom" } }