{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.308365 0.439679 ] [ 0.25 0.808365 0.060321 ] [ 0.75 0.691635 0.560321 ] [ 0.75 0.191635 0.939679 ] [ 0.25 0.637257 0.395819 ] [ 0.25 0.137257 0.104181 ] [ 0.75 0.362743 0.604181 ] [ 0.75 0.862743 0.895819 ] [ 0.25 0.946517 0.62489 ] [ 0.25 0.446517 0.87511 ] [ 0.75 0.053483 0.37511 ] [ 0.75 0.553483 0.12489 ] [ 0.25 0.078775 0.727239 ] [ 0.25 0.578775 0.772761 ] [ 0.75 0.921225 0.272761 ] [ 0.75 0.421225 0.227239 ] [ 0.25 0.846658 0.55377 ] [ 0.25 0.346658 0.94623 ] [ 0.75 0.153342 0.44623 ] [ 0.75 0.653342 0.05377 ] [ 0.25 0.392878 0.496044 ] [ 0.25 0.892878 0.003956 ] [ 0.75 0.607122 0.503956 ] [ 0.75 0.107122 0.996044 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "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" 4.29224578 "source-unit" "angstrom" } "b" { "source-value" 8.74748639 "source-unit" "angstrom" } "c" { "source-value" 11.28014118 "source-unit" "angstrom" } }