{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.058779 ] [ 0.666667 0.333333 0.392112 ] [ 0.333333 0.666667 0.725445 ] [ 0.655629 0.827814 0.345848 ] [ 0.322296 0.161148 0.679182 ] [ 0.988962 0.494481 0.012515 ] [ 0.172186 0.827814 0.345848 ] [ 0.838852 0.161148 0.679182 ] [ 0.505519 0.494481 0.012515 ] [ 0.172186 0.344371 0.345848 ] [ 0.838852 0.677704 0.679182 ] [ 0.505519 0.011038 0.012515 ] [ 0.972133 0.316147 0.497031 ] [ 0.638799 0.64948 0.830364 ] [ 0.305466 0.982813 0.163697 ] [ 0.344014 0.316147 0.497031 ] [ 0.010681 0.64948 0.830364 ] [ 0.677347 0.982813 0.163697 ] [ 0 0 0.333216 ] [ 0.666667 0.333333 0.666549 ] [ 0.333333 0.666667 0.999882 ] [ 0.683853 0.027867 0.497031 ] [ 0.35052 0.361201 0.830364 ] [ 0.017187 0.694534 0.163697 ] [ 0.344014 0.027867 0.497031 ] [ 0.010681 0.361201 0.830364 ] [ 0.677347 0.694534 0.163697 ] [ 0.095555 0.191111 0.672092 ] [ 0.762222 0.524444 0.005425 ] [ 0.428889 0.857777 0.338759 ] [ 0.683853 0.655986 0.497031 ] [ 0.35052 0.989319 0.830364 ] [ 0.017187 0.322653 0.163697 ] [ 0.972133 0.655986 0.497031 ] [ 0.638799 0.989319 0.830364 ] [ 0.305466 0.322653 0.163697 ] [ 0.808889 0.904445 0.672092 ] [ 0.475556 0.237778 0.005425 ] [ 0.142223 0.571111 0.338759 ] [ 0.095555 0.904445 0.672092 ] [ 0.762222 0.237778 0.005425 ] [ 0.428889 0.571111 0.338759 ] ] } "species" { "source-value" [ "K" "K" "K" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 8.938925659 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }