{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.471623 0 0.333333 ] [ 0 0.471623 0.666667 ] [ 0.528377 0.528377 0 ] [ 0.41645 0.264261 0.210832 ] [ 0.735739 0.152189 0.544165 ] [ 0.847811 0.58355 0.877499 ] [ 0.152189 0.735739 0.455835 ] [ 0.58355 0.847811 0.122501 ] [ 0.264261 0.41645 0.789168 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "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" 4.80803774708 "source-unit" "angstrom" } "c" { "source-value" 5.26246652 "source-unit" "angstrom" } }