{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.16754 0.33508 0.788787 ] [ 0.16754 0.83246 0.788787 ] [ 0.66492 0.83246 0.788787 ] [ 0.33508 0.16754 0.288787 ] [ 0.83246 0.16754 0.288787 ] [ 0.83246 0.66492 0.288787 ] [ 0.333333 0.666667 0.510747 ] [ 0.666667 0.333333 0.010747 ] [ 0.16638 0.33276 0.40038 ] [ 0.037546 0.518773 0.660429 ] [ 0.333333 0.666667 0.888001 ] [ 0 0 0.694009 ] [ 0 0 0.194009 ] [ 0.16638 0.83362 0.40038 ] [ 0.481227 0.518773 0.660429 ] [ 0.481227 0.962454 0.660429 ] [ 0.33276 0.16638 0.90038 ] [ 0.66724 0.83362 0.40038 ] [ 0.518773 0.037546 0.160429 ] [ 0.518773 0.481227 0.160429 ] [ 0.666667 0.333333 0.388001 ] [ 0.83362 0.16638 0.90038 ] [ 0.962454 0.481227 0.160429 ] [ 0.83362 0.66724 0.90038 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.91032098 "source-unit" "angstrom" } "c" { "source-value" 9.30089339 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.862058180833333 "source-unit" "eV" } }