{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.375 0.625 0.375 ] [ 0.375 0.875 0.125 ] [ 0.125 0.875 0.375 ] [ 0.125 0.625 0.125 ] [ 0.375 0.125 0.875 ] [ 0.375 0.375 0.625 ] [ 0.125 0.375 0.875 ] [ 0.125 0.125 0.625 ] [ 0.875 0.625 0.875 ] [ 0.875 0.875 0.625 ] [ 0.625 0.875 0.875 ] [ 0.625 0.625 0.625 ] [ 0.875 0.125 0.375 ] [ 0.875 0.375 0.125 ] [ 0.625 0.375 0.375 ] [ 0.625 0.125 0.125 ] [ 0 0 0 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.139954 0.138528 0.861832 ] [ 0.111472 0.610046 0.888168 ] [ 0.139954 0.861472 0.138168 ] [ 0.111472 0.889954 0.611832 ] [ 0.861832 0.139954 0.138528 ] [ 0.860046 0.861472 0.861832 ] [ 0.388168 0.888528 0.889954 ] [ 0.389954 0.611472 0.611832 ] [ 0.139954 0.638528 0.361832 ] [ 0.111472 0.110046 0.388168 ] [ 0.139954 0.361472 0.638168 ] [ 0.111472 0.389954 0.111832 ] [ 0.861832 0.639954 0.638528 ] [ 0.860046 0.361472 0.361832 ] [ 0.388168 0.388528 0.389954 ] [ 0.389954 0.111472 0.111832 ] [ 0.639954 0.138528 0.361832 ] [ 0.611472 0.610046 0.388168 ] [ 0.639954 0.861472 0.638168 ] [ 0.611472 0.889954 0.111832 ] [ 0.361832 0.139954 0.638528 ] [ 0.360046 0.861472 0.361832 ] [ 0.888168 0.888528 0.389954 ] [ 0.889954 0.611472 0.111832 ] [ 0.639954 0.638528 0.861832 ] [ 0.611472 0.110046 0.888168 ] [ 0.639954 0.361472 0.138168 ] [ 0.611472 0.389954 0.611832 ] [ 0.361832 0.639954 0.138528 ] [ 0.360046 0.361472 0.861832 ] [ 0.888168 0.388528 0.889954 ] [ 0.889954 0.111472 0.611832 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.17199395 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.713327491428571 "source-unit" "eV" } }