{ "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" [ [ 0.7566 0.195757 0.731017 ] [ 0.2566 0.304243 0.731017 ] [ 0.2434 0.195757 0.268983 ] [ 0.750955 0.397776 0.759043 ] [ 0.7434 0.304243 0.268983 ] [ 0.735513 0 0.764185 ] [ 0.249045 0.397776 0.240957 ] [ 0.250955 0.102224 0.759043 ] [ 0.264487 0 0.235815 ] [ 0.749045 0.102224 0.240957 ] [ 0.2566 0.695757 0.731017 ] [ 0.7566 0.804243 0.731017 ] [ 0.7434 0.695757 0.268983 ] [ 0.250955 0.897776 0.759043 ] [ 0.2434 0.804243 0.268983 ] [ 0.235513 0.5 0.764185 ] [ 0.749045 0.897776 0.240957 ] [ 0.750955 0.602224 0.759043 ] [ 0.764487 0.5 0.235815 ] [ 0.249045 0.602224 0.240957 ] [ 0 0.199661 0.5 ] [ 0.5 0.300339 0.5 ] [ 0 0.398976 0.5 ] [ 0.5 0.399174 0 ] [ 0.5 0.101024 0.5 ] [ 0.5 0 0 ] [ 0 0.100826 0 ] [ 0.5 0.699661 0.5 ] [ 0 0.800339 0.5 ] [ 0.5 0.898976 0.5 ] [ 0 0.899174 0 ] [ 0 0.601024 0.5 ] [ 0 0.5 0 ] [ 0.5 0.600826 0 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.4975045822 "source-unit" "angstrom" } "b" { "source-value" 15.755090479 "source-unit" "angstrom" } "c" { "source-value" 5.51004364461 "source-unit" "angstrom" } "beta" { "source-value" 109.716907479 "source-unit" "degree" } }