{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0.288359 0.5 ] [ 0.288359 0 0.5 ] [ 0.711641 0.711641 0.5 ] [ 0 0.62275 0 ] [ 0.62275 0 0 ] [ 0.37725 0.37725 0 ] [ 0.666667 0.333333 0.493487 ] [ 0.333333 0.666667 0.506513 ] [ 0 0 0 ] [ 0.739723 0.226907 0.686961 ] [ 0.773093 0.512816 0.686961 ] [ 0.487184 0.260277 0.686961 ] [ 0.512816 0.773093 0.313039 ] [ 0.260277 0.487184 0.313039 ] [ 0.226907 0.739723 0.313039 ] [ 0.596782 0.442157 0.299639 ] [ 0.557843 0.154625 0.299639 ] [ 0.845375 0.403218 0.299639 ] [ 0.084898 0.904496 0.808264 ] [ 0.095504 0.180402 0.808264 ] [ 0.819598 0.915102 0.808264 ] [ 0.180402 0.095504 0.191736 ] [ 0.915102 0.819598 0.191736 ] [ 0.904496 0.084898 0.191736 ] [ 0.442157 0.596782 0.700361 ] [ 0.403218 0.845375 0.700361 ] [ 0.154625 0.557843 0.700361 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 9.01998580235 "source-unit" "angstrom" } "c" { "source-value" 5.11475439 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.237567828148149 "source-unit" "eV" } }