{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.185017 ] [ 0 0 0.814983 ] [ 0.5 0 0 ] [ 0.5 0.5 0.685017 ] [ 0.5 0.5 0.314983 ] [ 0 0.5 0.5 ] [ 0 0.5 0.9357 ] [ 0 0.5 0.0643 ] [ 0.5 0.5 0.867927 ] [ 0.5 0.5 0.132073 ] [ 0.5 0 0.4357 ] [ 0.5 0 0.5643 ] [ 0 0 0.367927 ] [ 0 0 0.632073 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.15443720545 "source-unit" "angstrom" } "b" { "source-value" 3.32098236259 "source-unit" "angstrom" } "c" { "source-value" 14.1748391828 "source-unit" "angstrom" } }