{ "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 0.323984 0 ] [ 0 0.676016 0.5 ] [ 0 0.676016 0 ] [ 0 0.323984 0.5 ] [ 0.133474 0 0.600338 ] [ 0.866526 0 0.100338 ] [ 0.133474 0 0.899662 ] [ 0.866526 0 0.399662 ] [ 0.209229 0.180638 0.25 ] [ 0.790771 0.819362 0.75 ] [ 0.209229 0.819362 0.25 ] [ 0.790771 0.180638 0.75 ] [ 0.5 0.823984 0 ] [ 0.5 0.176016 0.5 ] [ 0.5 0.176016 0 ] [ 0.5 0.823984 0.5 ] [ 0.633474 0.5 0.600338 ] [ 0.366526 0.5 0.100338 ] [ 0.633474 0.5 0.899662 ] [ 0.366526 0.5 0.399662 ] [ 0.709229 0.680638 0.25 ] [ 0.290771 0.319362 0.75 ] [ 0.709229 0.319362 0.25 ] [ 0.290771 0.680638 0.75 ] [ 0.543978 0 0.25 ] [ 0.456022 0 0.75 ] [ 0.043978 0.5 0.25 ] [ 0.956022 0.5 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Tc" "Tc" "Tc" "Tc" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60576268581 "source-unit" "angstrom" } "b" { "source-value" 7.63611875484 "source-unit" "angstrom" } "c" { "source-value" 9.01994371 "source-unit" "angstrom" } }