{ "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" [ [ 0.395563 0.019577 0.78524 ] [ 0.626043 0.751907 0.758344 ] [ 0.203779 0.585361 0.095913 ] [ 0.796221 0.414639 0.904087 ] [ 0.373957 0.248093 0.241656 ] [ 0.604437 0.980423 0.21476 ] [ 0.622622 0.894622 0.481284 ] [ 0.828636 0.120254 0.820021 ] [ 0.171364 0.879746 0.179979 ] [ 0.377378 0.105378 0.518716 ] [ 0.461242 0.18231 0.025305 ] [ 0.557596 0.389681 0.67844 ] [ 0.177245 0.426059 0.858781 ] [ 0.033283 0.986592 0.344209 ] [ 0.712087 0.232192 0.408218 ] [ 0.039638 0.797737 0.901964 ] [ 0.287913 0.767808 0.591782 ] [ 0.960362 0.202263 0.098036 ] [ 0.966717 0.013408 0.655791 ] [ 0.822755 0.573941 0.141219 ] [ 0.442404 0.610319 0.32156 ] [ 0.538758 0.81769 0.974695 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.93884737 "source-unit" "angstrom" } "b" { "source-value" 7.95767844 "source-unit" "angstrom" } "c" { "source-value" 11.20498169 "source-unit" "angstrom" } "alpha" { "source-value" 87.03728833 "source-unit" "degree" } "beta" { "source-value" 100.63524926 "source-unit" "degree" } "gamma" { "source-value" 114.19874608 "source-unit" "degree" } }