{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_1" } "basis-atom-coordinates" { "source-value" [ [ 0.411229 0.411488 0.500357 ] [ 0.000259 0.588771 0.167024 ] [ 0.588512 0.999741 0.83369 ] [ 0.41596 0.417759 0.001144 ] [ 0.001799 0.58404 0.667811 ] [ 0.582241 0.998201 0.334478 ] [ 0.899163 0.885131 0.474279 ] [ 0.985968 0.100837 0.140946 ] [ 0.114869 0.014032 0.807612 ] [ 0.148737 0.54361 0.503156 ] [ 0.394873 0.851263 0.169823 ] [ 0.45639 0.605127 0.836489 ] [ 0.059729 0.053156 0.609294 ] [ 0.946844 0.006573 0.942628 ] [ 0.993427 0.940271 0.275961 ] [ 0.349412 0.195026 0.857723 ] [ 0.804974 0.154386 0.191056 ] [ 0.845614 0.650588 0.524389 ] [ 0.192188 0.33194 0.149154 ] [ 0.66806 0.860248 0.482487 ] [ 0.139752 0.807812 0.81582 ] [ 0.610741 0.473867 0.16176 ] [ 0.526133 0.136874 0.495093 ] [ 0.863126 0.389259 0.828426 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Si" "Si" "Si" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.89707651847 "source-unit" "angstrom" } "c" { "source-value" 6.74723795 "source-unit" "angstrom" } }