{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.392695 0.176845 0.5 ] [ 0.892695 0.823155 0 ] [ 0.408523 0.326311 0.120617 ] [ 0.93112 0.172987 0.751223 ] [ 0.43112 0.827013 0.748777 ] [ 0.908523 0.673689 0.379383 ] [ 0.908523 0.673689 0.620617 ] [ 0.408523 0.326311 0.879383 ] [ 0.93112 0.172987 0.248777 ] [ 0.43112 0.827013 0.251223 ] [ 0.072195 0.266971 0.865162 ] [ 0.572195 0.733029 0.634838 ] [ 0.480148 0.644395 0.141704 ] [ 0.980148 0.355605 0.358296 ] [ 0.980148 0.355605 0.641704 ] [ 0.480148 0.644395 0.858296 ] [ 0.575976 0.132933 0.220897 ] [ 0.075976 0.867067 0.279103 ] [ 0.075976 0.867067 0.720897 ] [ 0.575976 0.132933 0.779103 ] [ 0.516552 0.233003 0 ] [ 0.016552 0.766997 0.5 ] [ 0.072195 0.266971 0.134838 ] [ 0.572195 0.733029 0.365162 ] ] } "species" { "source-value" [ "Hg" "Hg" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "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" 4.2418023 "source-unit" "angstrom" } "b" { "source-value" 4.44825599 "source-unit" "angstrom" } "c" { "source-value" 10.831686 "source-unit" "angstrom" } }