{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.553313 0.316632 0.34118 ] [ 0.446687 0.816632 0.15882 ] [ 0.053313 0.316632 0.65882 ] [ 0.446687 0.683368 0.65882 ] [ 0.053313 0.183368 0.15882 ] [ 0.946687 0.816632 0.84118 ] [ 0.553313 0.183368 0.84118 ] [ 0.946687 0.683368 0.34118 ] [ 0.25 0.5 0.019635 ] [ 0.25 0 0.519635 ] [ 0.75 0 0.480365 ] [ 0.75 0.5 0.980365 ] [ 0.75 0 0.325448 ] [ 0.25 0.5 0.174552 ] [ 0.805756 0.629865 0.057622 ] [ 0.305756 0.870135 0.442378 ] [ 0.694244 0.129865 0.557622 ] [ 0.75 0.5 0.825448 ] [ 0.194244 0.370135 0.942378 ] [ 0.694244 0.370135 0.057622 ] [ 0.805756 0.870135 0.557622 ] [ 0.25 0 0.674552 ] [ 0.305756 0.629865 0.942378 ] [ 0.194244 0.129865 0.442378 ] [ 0.100987 0.887173 0.113377 ] [ 0.600987 0.887173 0.886623 ] [ 0.899013 0.112827 0.886623 ] [ 0.399013 0.387173 0.613377 ] [ 0.600987 0.612827 0.386623 ] [ 0.899013 0.387173 0.386623 ] [ 0.100987 0.612827 0.613377 ] [ 0.399013 0.112827 0.113377 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.00141762 "source-unit" "angstrom" } "b" { "source-value" 8.17462591 "source-unit" "angstrom" } "c" { "source-value" 8.38976058 "source-unit" "angstrom" } }