{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.477731 0 0.77928 ] [ 0.522269 0 0.22072 ] [ 0.977731 0.5 0.72072 ] [ 0.022269 0.5 0.27928 ] [ 0.354259 0 0.710582 ] [ 0.645741 0 0.289418 ] [ 0.854259 0.5 0.789418 ] [ 0.145741 0.5 0.210582 ] [ 0.214024 0 0.640142 ] [ 0.785976 0 0.359858 ] [ 0.714024 0.5 0.859858 ] [ 0.285976 0.5 0.140142 ] [ 0.27598 0.5 0.621104 ] [ 0.72402 0.5 0.378896 ] [ 0.77598 0 0.878896 ] [ 0.22402 0 0.121104 ] [ 0.299475 0.692444 0.430762 ] [ 0.700525 0.692444 0.569238 ] [ 0.799475 0.807556 0.069238 ] [ 0.200525 0.807556 0.930762 ] [ 0.700525 0.307556 0.569238 ] [ 0.299475 0.307556 0.430762 ] [ 0.200525 0.192444 0.930762 ] [ 0.799475 0.192444 0.069238 ] ] } "species" { "source-value" [ "Ag" "Ag" "Sb" "Sb" "H" "H" "H" "H" "C" "C" "C" "C" "N" "N" "N" "N" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32015364 "source-unit" "angstrom" } "b" { "source-value" 7.01065286 "source-unit" "angstrom" } "c" { "source-value" 12.52693495 "source-unit" "angstrom" } }