{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.220004 0 ] [ 0 0.779996 0 ] [ 0.5 0.720004 0 ] [ 0.5 0.279996 0 ] [ 0.8332 0.5 0.810802 ] [ 0.1668 0.5 0.189198 ] [ 0.19177 0 0.217533 ] [ 0.80823 0 0.782467 ] [ 0.021168 0.75557 0.757688 ] [ 0.978832 0.75557 0.242312 ] [ 0.978832 0.24443 0.242312 ] [ 0.021168 0.24443 0.757688 ] [ 0.3332 0 0.810802 ] [ 0.6668 0 0.189198 ] [ 0.69177 0.5 0.217533 ] [ 0.30823 0.5 0.782467 ] [ 0.521168 0.25557 0.757688 ] [ 0.478832 0.25557 0.242312 ] [ 0.478832 0.74443 0.242312 ] [ 0.521168 0.74443 0.757688 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.4552239528 "source-unit" "angstrom" } "b" { "source-value" 6.8969987308 "source-unit" "angstrom" } "c" { "source-value" 8.73878362657 "source-unit" "angstrom" } "beta" { "source-value" 131.96084333 "source-unit" "degree" } }