{ "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" [ [ 0.431875 0.431875 0 ] [ 0 0.568125 0.666667 ] [ 0.568125 0 0.333333 ] [ 0.354315 0.423404 0.244297 ] [ 0.930911 0.576596 0.42237 ] [ 0.423404 0.354315 0.755703 ] [ 0.069089 0.645685 0.910963 ] [ 0.576596 0.930911 0.57763 ] [ 0.645685 0.069089 0.089037 ] [ 0.710834 0 0.833333 ] [ 0 0.710834 0.166667 ] [ 0.289166 0.289166 0.5 ] [ 0.762953 0.667696 0.83165 ] [ 0.904743 0.237047 0.498317 ] [ 0.332304 0.095257 0.164984 ] [ 0.095257 0.332304 0.835016 ] [ 0.237047 0.904743 0.501683 ] [ 0.667696 0.762953 0.16835 ] [ 0.953018 0.467885 0.052335 ] [ 0.514867 0.046982 0.719001 ] [ 0.046982 0.514867 0.280999 ] [ 0.467885 0.953018 0.947665 ] [ 0.485133 0.532115 0.614332 ] [ 0.532115 0.485133 0.385668 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.27703297968 "source-unit" "angstrom" } "c" { "source-value" 15.55798258 "source-unit" "angstrom" } }