{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.039319 ] [ 0.333333 0.666667 0.460681 ] [ 0.666667 0.333333 0.539319 ] [ 0.666667 0.333333 0.960681 ] [ 0.267398 0.296648 0.75 ] [ 0.703352 0.97075 0.75 ] [ 0.02925 0.732602 0.75 ] [ 0.97075 0.267398 0.25 ] [ 0.296648 0.02925 0.25 ] [ 0.732602 0.703352 0.25 ] [ 0.249682 0.411376 0.913375 ] [ 0.249682 0.411376 0.586625 ] [ 0.49953 0.629136 0.25 ] [ 0.129606 0.50047 0.25 ] [ 0.588624 0.838305 0.586625 ] [ 0.588624 0.838305 0.913375 ] [ 0.161695 0.750318 0.586625 ] [ 0.161695 0.750318 0.913375 ] [ 0.370864 0.870394 0.25 ] [ 0.629136 0.129606 0.75 ] [ 0.838305 0.249682 0.413375 ] [ 0.838305 0.249682 0.086625 ] [ 0.411376 0.161695 0.086625 ] [ 0.411376 0.161695 0.413375 ] [ 0.870394 0.49953 0.75 ] [ 0.50047 0.370864 0.75 ] [ 0.750318 0.588624 0.086625 ] [ 0.750318 0.588624 0.413375 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "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" 8.53373769 "source-unit" "angstrom" } "c" { "source-value" 8.18910659 "source-unit" "angstrom" } }