{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.816423 0.999237 ] [ 0.75 0.183577 0.000763 ] [ 0.25 0.683577 0.499237 ] [ 0.75 0.316423 0.500763 ] [ 0.75 0.915558 0.324672 ] [ 0.25 0.084442 0.675328 ] [ 0.75 0.584442 0.824672 ] [ 0.25 0.415558 0.175328 ] [ 0.25 0.400283 0.815415 ] [ 0.75 0.599717 0.184585 ] [ 0.25 0.099717 0.315415 ] [ 0.75 0.900283 0.684585 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.70091345 "source-unit" "angstrom" } "b" { "source-value" 7.68612704 "source-unit" "angstrom" } "c" { "source-value" 8.4750816 "source-unit" "angstrom" } }