{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.268273 0.217246 0.162542 ] [ 0.731727 0.782754 0.837458 ] [ 0.28883 0.804498 0.352782 ] [ 0.71117 0.195502 0.647218 ] [ 0.753284 0.144736 0.082621 ] [ 0.246716 0.855264 0.917379 ] [ 0.668214 0.89144 0.606378 ] [ 0.712545 0.491953 0.691838 ] [ 0.331786 0.10856 0.393622 ] [ 0.287455 0.508047 0.308162 ] [ 0.840105 0.754566 0.146714 ] [ 0.159895 0.245434 0.853286 ] ] } "species" { "source-value" [ "Nb" "Nb" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.84027247609 "source-unit" "angstrom" } "b" { "source-value" 6.65684444652 "source-unit" "angstrom" } "c" { "source-value" 6.7974566357 "source-unit" "angstrom" } "alpha" { "source-value" 112.736931691 "source-unit" "degree" } "beta" { "source-value" 99.6117681818 "source-unit" "degree" } "gamma" { "source-value" 86.6022523316 "source-unit" "degree" } }