{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.70467 0.608919 0.75 ] [ 0.095751 0.70467 0.25 ] [ 0.608919 0.904249 0.25 ] [ 0.391081 0.095751 0.75 ] [ 0.904249 0.29533 0.75 ] [ 0.29533 0.391081 0.25 ] [ 0.807665 0.780701 0.75 ] [ 0.026964 0.807665 0.25 ] [ 0.780701 0.973036 0.25 ] [ 0.219299 0.026964 0.75 ] [ 0.973036 0.192335 0.75 ] [ 0.192335 0.219299 0.25 ] [ 0.798219 0.260317 0.537681 ] [ 0.537902 0.798219 0.037681 ] [ 0.468724 0.44276 0.25 ] [ 0.025964 0.468724 0.75 ] [ 0.44276 0.974036 0.75 ] [ 0.55724 0.025964 0.25 ] [ 0.974036 0.531276 0.25 ] [ 0.531276 0.55724 0.75 ] [ 0.798219 0.260317 0.962319 ] [ 0.537902 0.798219 0.462319 ] [ 0.260317 0.462098 0.462319 ] [ 0.739683 0.537902 0.962319 ] [ 0.462098 0.201781 0.962319 ] [ 0.201781 0.739683 0.462319 ] [ 0.201781 0.739683 0.037681 ] [ 0.462098 0.201781 0.537681 ] [ 0.739683 0.537902 0.537681 ] [ 0.260317 0.462098 0.037681 ] ] } "species" { "source-value" [ "Er" "Er" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.45847389952 "source-unit" "angstrom" } "c" { "source-value" 5.57079997 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.787696745625 "source-unit" "eV" } }