{ "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 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.812684 ] [ 0 0 0.312684 ] [ 0.5 0.5 0.187316 ] [ 0 0 0.687316 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.514572 0.258003 0.326071 ] [ 0.485428 0.741997 0.326071 ] [ 0.985428 0.758003 0.826071 ] [ 0.014572 0.241997 0.826071 ] [ 0.985428 0.758003 0.173929 ] [ 0.514572 0.258003 0.673929 ] [ 0.014572 0.241997 0.173929 ] [ 0.485428 0.741997 0.673929 ] [ 0 0.5 0.640931 ] [ 0.5 0 0.140931 ] [ 0 0.5 0.359069 ] [ 0.5 0 0.859069 ] [ 0.026244 0.24458 0.5 ] [ 0.973756 0.75542 0.5 ] [ 0.473756 0.74458 0 ] [ 0.526244 0.25542 0 ] [ 0.359891 0.316746 0.889081 ] [ 0.640109 0.683253 0.889081 ] [ 0.140109 0.816747 0.389081 ] [ 0.859891 0.183254 0.389081 ] [ 0.359891 0.316746 0.110919 ] [ 0.640109 0.683253 0.110919 ] [ 0.140109 0.816747 0.610919 ] [ 0.859891 0.183254 0.610919 ] [ 0.349433 0.087324 0 ] [ 0.650567 0.912676 0 ] [ 0.150567 0.587324 0.5 ] [ 0.849433 0.412676 0.5 ] [ 0.774056 0.353902 0 ] [ 0.225944 0.646098 0 ] [ 0.725944 0.853902 0.5 ] [ 0.274056 0.146098 0.5 ] [ 0.312269 0.080253 0.768912 ] [ 0.687731 0.919747 0.768912 ] [ 0.187731 0.580253 0.268912 ] [ 0.812269 0.419747 0.268912 ] [ 0.312269 0.080253 0.231088 ] [ 0.687731 0.919747 0.231088 ] [ 0.187731 0.580253 0.731088 ] [ 0.812269 0.419747 0.731088 ] [ 0.196451 0.36337 0.60841 ] [ 0.80355 0.63663 0.60841 ] [ 0.30355 0.86337 0.10841 ] [ 0.69645 0.13663 0.10841 ] [ 0.69645 0.13663 0.89159 ] [ 0.80355 0.63663 0.39159 ] [ 0.30355 0.86337 0.89159 ] [ 0.196451 0.36337 0.39159 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.98296269 "source-unit" "angstrom" } "b" { "source-value" 10.95570579 "source-unit" "angstrom" } "c" { "source-value" 12.62809382 "source-unit" "angstrom" } }