{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.32639 0.82639 0.5 ] [ 0.82639 0.67361 0.5 ] [ 0.17361 0.32639 0.5 ] [ 0.67361 0.17361 0.5 ] [ 0.711584 0.428681 0 ] [ 0.428681 0.288416 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.788416 0.928681 0 ] [ 0.928681 0.211584 0 ] [ 0.071319 0.788416 0 ] [ 0.211584 0.071319 0 ] [ 0.571319 0.711584 0 ] [ 0.288416 0.571319 0 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.874143 0.374143 0.670688 ] [ 0.125857 0.625857 0.670688 ] [ 0.874143 0.374143 0.329312 ] [ 0.374143 0.125857 0.329312 ] [ 0.625857 0.874143 0.329312 ] [ 0.125857 0.625857 0.329312 ] [ 0.625857 0.874143 0.670688 ] [ 0.374143 0.125857 0.670688 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.14905917 "source-unit" "angstrom" } "c" { "source-value" 4.20164573 "source-unit" "angstrom" } }