{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.17471 0.25 ] [ 0 0.82529 0.75 ] [ 0.5 0.046988 0.25 ] [ 0.5 0.953012 0.75 ] [ 0.5 0.84736 0.25 ] [ 0.5 0.15264 0.75 ] [ 0 0.941144 0.25 ] [ 0 0.058856 0.75 ] [ 0.5 0.67471 0.25 ] [ 0.5 0.32529 0.75 ] [ 0 0.546988 0.25 ] [ 0 0.453012 0.75 ] [ 0 0.34736 0.25 ] [ 0 0.65264 0.75 ] [ 0.5 0.441144 0.25 ] [ 0.5 0.558856 0.75 ] [ 0.5 0.249813 0.25 ] [ 0.5 0.750187 0.75 ] [ 0 0.749813 0.25 ] [ 0 0.250187 0.75 ] [ 0.231365 0.878477 0.518584 ] [ 0.768635 0.121523 0.018584 ] [ 0.231365 0.121523 0.481416 ] [ 0.768635 0.878477 0.981416 ] [ 0.768635 0.121523 0.481416 ] [ 0.231365 0.878477 0.981416 ] [ 0.768635 0.878477 0.518584 ] [ 0.231365 0.121523 0.018584 ] [ 0.227311 0 0.5 ] [ 0.772689 0 0 ] [ 0.5 0.062695 0.75 ] [ 0.5 0.937305 0.25 ] [ 0.227311 0 0 ] [ 0.772689 0 0.5 ] [ 0.731365 0.378477 0.518584 ] [ 0.268635 0.621523 0.018584 ] [ 0.731365 0.621523 0.481416 ] [ 0.268635 0.378477 0.981416 ] [ 0.268635 0.621523 0.481416 ] [ 0.731365 0.378477 0.981416 ] [ 0.268635 0.378477 0.518584 ] [ 0.731365 0.621523 0.018584 ] [ 0.727311 0.5 0.5 ] [ 0.272689 0.5 0 ] [ 0 0.562695 0.75 ] [ 0 0.437305 0.25 ] [ 0.727311 0.5 0 ] [ 0.272689 0.5 0.5 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 6.1663108522 "source-unit" "angstrom" } "b" { "source-value" 25.4316811928 "source-unit" "angstrom" } "c" { "source-value" 6.07885165 "source-unit" "angstrom" } }