{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.771632 0.746777 0.5 ] [ 0.228368 0.746777 0.5 ] [ 0.271632 0.253223 0 ] [ 0.728368 0.253223 0 ] [ 0 0.895835 0.350484 ] [ 0 0.447656 0.5 ] [ 0 0.895835 0.649516 ] [ 0 0.39476 0.859286 ] [ 0 0.970619 0 ] [ 0 0.39476 0.140714 ] [ 0.5 0.60524 0.359286 ] [ 0.5 0.029381 0.5 ] [ 0.5 0.60524 0.640714 ] [ 0.5 0.104165 0.850484 ] [ 0.5 0.552344 0 ] [ 0.5 0.104165 0.149516 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.12339568 "source-unit" "angstrom" } "b" { "source-value" 7.20561999 "source-unit" "angstrom" } "c" { "source-value" 12.51584357 "source-unit" "angstrom" } }