{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.133843 0.846467 ] [ 0.75 0.866157 0.153533 ] [ 0.75 0.801399 0.978391 ] [ 0.25 0.198601 0.021609 ] [ 0.75 0.698601 0.478391 ] [ 0.75 0.633843 0.653533 ] [ 0.25 0.301399 0.521609 ] [ 0.25 0.366157 0.346467 ] [ 0.25 0.064154 0.580493 ] [ 0.75 0.717766 0.244484 ] [ 0.25 0.217766 0.255516 ] [ 0.75 0.564154 0.919507 ] [ 0.75 0.935846 0.419507 ] [ 0.25 0.435846 0.080493 ] [ 0.25 0.282234 0.755516 ] [ 0.75 0.782234 0.744484 ] [ 0.25 0.378468 0.706087 ] [ 0.25 0.121532 0.206087 ] [ 0.75 0.082355 0.392472 ] [ 0.75 0.878468 0.793913 ] [ 0.25 0.582355 0.107528 ] [ 0.25 0.917645 0.607528 ] [ 0.75 0.621532 0.293913 ] [ 0.75 0.417645 0.892472 ] [ 0.75 0.50097 0.55849 ] [ 0.75 0.99903 0.05849 ] [ 0.25 0.49903 0.44151 ] [ 0.25 0.00097 0.94151 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" 4.22622004 "source-unit" "angstrom" } "b" { "source-value" 7.16279305 "source-unit" "angstrom" } "c" { "source-value" 19.09468672 "source-unit" "angstrom" } }