{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.283356 0.5 ] [ 0 0 0.216644 ] [ 0.216644 0 0 ] [ 0.25 0.75 0.966644 ] [ 0.466644 0.75 0.75 ] [ 0.25 0.033356 0.25 ] [ 0 0.216644 0 ] [ 0.783356 0.5 0.5 ] [ 0 0.5 0.283356 ] [ 0.033356 0.25 0.25 ] [ 0.25 0.25 0.033356 ] [ 0.25 0.966644 0.75 ] [ 0 0.783356 0 ] [ 0 0.5 0.716644 ] [ 0.216644 0.5 0.5 ] [ 0.25 0.25 0.466644 ] [ 0.466644 0.25 0.25 ] [ 0.25 0.533356 0.75 ] [ 0 0.716644 0.5 ] [ 0.783356 0 0 ] [ 0 0 0.783356 ] [ 0.033356 0.75 0.75 ] [ 0.25 0.75 0.533356 ] [ 0.25 0.466644 0.25 ] [ 0.5 0.283356 0 ] [ 0.5 0 0.716644 ] [ 0.716644 0 0.5 ] [ 0.75 0.75 0.466644 ] [ 0.966644 0.75 0.25 ] [ 0.75 0.033356 0.75 ] [ 0.5 0.216644 0.5 ] [ 0.283356 0.5 0 ] [ 0.5 0.5 0.783356 ] [ 0.533356 0.25 0.75 ] [ 0.75 0.25 0.533356 ] [ 0.75 0.966644 0.25 ] [ 0.5 0.783356 0.5 ] [ 0.5 0.5 0.216644 ] [ 0.716644 0.5 0 ] [ 0.75 0.25 0.966644 ] [ 0.966644 0.25 0.75 ] [ 0.75 0.533356 0.25 ] [ 0.5 0.716644 0 ] [ 0.283356 0 0.5 ] [ 0.5 0 0.283356 ] [ 0.533356 0.75 0.25 ] [ 0.75 0.75 0.033356 ] [ 0.75 0.466644 0.75 ] [ 0.375 0.125 0.875 ] [ 0.625 0.125 0.125 ] [ 0.125 0.875 0.375 ] [ 0.375 0.875 0.125 ] [ 0.375 0.625 0.375 ] [ 0.625 0.625 0.625 ] [ 0.125 0.375 0.875 ] [ 0.375 0.375 0.625 ] [ 0.875 0.125 0.375 ] [ 0.125 0.125 0.625 ] [ 0.625 0.875 0.875 ] [ 0.875 0.875 0.625 ] [ 0.875 0.625 0.875 ] [ 0.125 0.625 0.125 ] [ 0.625 0.375 0.375 ] [ 0.875 0.375 0.125 ] [ 0.157064 0.842936 0.157064 ] [ 0.407064 0.907064 0.907064 ] [ 0.842936 0.157064 0.157064 ] [ 0.157064 0.157064 0.842936 ] [ 0.092936 0.092936 0.407064 ] [ 0.407064 0.092936 0.092936 ] [ 0.842936 0.342936 0.342936 ] [ 0.092936 0.407064 0.092936 ] [ 0.157064 0.342936 0.657064 ] [ 0.407064 0.407064 0.407064 ] [ 0.842936 0.657064 0.657064 ] [ 0.157064 0.657064 0.342936 ] [ 0.092936 0.592936 0.907064 ] [ 0.407064 0.592936 0.592936 ] [ 0.842936 0.842936 0.842936 ] [ 0.092936 0.907064 0.592936 ] [ 0.657064 0.842936 0.657064 ] [ 0.907064 0.907064 0.407064 ] [ 0.342936 0.157064 0.657064 ] [ 0.657064 0.157064 0.342936 ] [ 0.592936 0.092936 0.907064 ] [ 0.907064 0.092936 0.592936 ] [ 0.342936 0.342936 0.842936 ] [ 0.592936 0.407064 0.592936 ] [ 0.657064 0.342936 0.157064 ] [ 0.907064 0.407064 0.907064 ] [ 0.342936 0.657064 0.157064 ] [ 0.657064 0.657064 0.842936 ] [ 0.592936 0.592936 0.407064 ] [ 0.907064 0.592936 0.092936 ] [ 0.342936 0.842936 0.342936 ] [ 0.592936 0.907064 0.092936 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.187823 0.187823 0.187823 ] [ 0.022773 0.153222 0.394584 ] [ 0.312177 0.312177 0.187823 ] [ 0.187823 0.312177 0.312177 ] [ 0.477227 0.153222 0.105416 ] [ 0.312177 0.187823 0.312177 ] [ 0.394584 0.977227 0.846778 ] [ 0.144584 0.772773 0.096778 ] [ 0.346778 0.894584 0.977227 ] [ 0.096778 0.855416 0.227227 ] [ 0.346778 0.105416 0.022773 ] [ 0.096778 0.144584 0.772773 ] [ 0.227227 0.903222 0.144584 ] [ 0.477227 0.846778 0.894584 ] [ 0.105416 0.022773 0.346778 ] [ 0.855416 0.227227 0.096778 ] [ 0.394584 0.022773 0.153222 ] [ 0.144584 0.227227 0.903222 ] [ 0.772773 0.403222 0.355416 ] [ 0.022773 0.346778 0.105416 ] [ 0.153222 0.105416 0.477227 ] [ 0.903222 0.144584 0.227227 ] [ 0.153222 0.394584 0.022773 ] [ 0.903222 0.355416 0.272773 ] [ 0.105416 0.477227 0.153222 ] [ 0.855416 0.272773 0.403222 ] [ 0.937823 0.062177 0.937823 ] [ 0.772773 0.096778 0.144584 ] [ 0.062177 0.937823 0.937823 ] [ 0.937823 0.937823 0.062177 ] [ 0.227227 0.096778 0.855416 ] [ 0.062177 0.062177 0.062177 ] [ 0.187823 0.687823 0.687823 ] [ 0.022773 0.653222 0.894584 ] [ 0.312177 0.812177 0.687823 ] [ 0.187823 0.812177 0.812177 ] [ 0.477227 0.653222 0.605416 ] [ 0.312177 0.687823 0.812177 ] [ 0.394584 0.477227 0.346778 ] [ 0.144584 0.272773 0.596778 ] [ 0.346778 0.394584 0.477227 ] [ 0.096778 0.355416 0.727227 ] [ 0.346778 0.605416 0.522773 ] [ 0.096778 0.644584 0.272773 ] [ 0.227227 0.403222 0.644584 ] [ 0.477227 0.346778 0.394584 ] [ 0.105416 0.522773 0.846778 ] [ 0.855416 0.727227 0.596778 ] [ 0.394584 0.522773 0.653222 ] [ 0.144584 0.727227 0.403222 ] [ 0.772773 0.903222 0.855416 ] [ 0.022773 0.846778 0.605416 ] [ 0.153222 0.605416 0.977227 ] [ 0.903222 0.644584 0.727227 ] [ 0.153222 0.894584 0.522773 ] [ 0.903222 0.855416 0.772773 ] [ 0.105416 0.977227 0.653222 ] [ 0.855416 0.772773 0.903222 ] [ 0.937823 0.562177 0.437823 ] [ 0.772773 0.596778 0.644584 ] [ 0.062177 0.437823 0.437823 ] [ 0.937823 0.437823 0.562177 ] [ 0.227227 0.596778 0.355416 ] [ 0.062177 0.562177 0.562177 ] [ 0.687823 0.187823 0.687823 ] [ 0.522773 0.153222 0.894584 ] [ 0.812177 0.312177 0.687823 ] [ 0.687823 0.312177 0.812177 ] [ 0.977227 0.153222 0.605416 ] [ 0.812177 0.187823 0.812177 ] [ 0.894584 0.977227 0.346778 ] [ 0.644584 0.772773 0.596778 ] [ 0.846778 0.894584 0.477227 ] [ 0.596778 0.855416 0.727227 ] [ 0.846778 0.105416 0.522773 ] [ 0.596778 0.144584 0.272773 ] [ 0.727227 0.903222 0.644584 ] [ 0.977227 0.846778 0.394584 ] [ 0.605416 0.022773 0.846778 ] [ 0.355416 0.227227 0.596778 ] [ 0.894584 0.022773 0.653222 ] [ 0.644584 0.227227 0.403222 ] [ 0.272773 0.403222 0.855416 ] [ 0.522773 0.346778 0.605416 ] [ 0.653222 0.105416 0.977227 ] [ 0.403222 0.144584 0.727227 ] [ 0.653222 0.394584 0.522773 ] [ 0.403222 0.355416 0.772773 ] [ 0.605416 0.477227 0.653222 ] [ 0.355416 0.272773 0.903222 ] [ 0.437823 0.062177 0.437823 ] [ 0.272773 0.096778 0.644584 ] [ 0.562177 0.937823 0.437823 ] [ 0.437823 0.937823 0.562177 ] [ 0.727227 0.096778 0.355416 ] [ 0.562177 0.062177 0.562177 ] [ 0.687823 0.687823 0.187823 ] [ 0.522773 0.653222 0.394584 ] [ 0.812177 0.812177 0.187823 ] [ 0.687823 0.812177 0.312177 ] [ 0.977227 0.653222 0.105416 ] [ 0.812177 0.687823 0.312177 ] [ 0.894584 0.477227 0.846778 ] [ 0.644584 0.272773 0.096778 ] [ 0.846778 0.394584 0.977227 ] [ 0.596778 0.355416 0.227227 ] [ 0.846778 0.605416 0.022773 ] [ 0.596778 0.644584 0.772773 ] [ 0.727227 0.403222 0.144584 ] [ 0.977227 0.346778 0.894584 ] [ 0.605416 0.522773 0.346778 ] [ 0.355416 0.727227 0.096778 ] [ 0.894584 0.522773 0.153222 ] [ 0.644584 0.727227 0.903222 ] [ 0.272773 0.903222 0.355416 ] [ 0.522773 0.846778 0.105416 ] [ 0.653222 0.605416 0.477227 ] [ 0.403222 0.644584 0.227227 ] [ 0.653222 0.894584 0.022773 ] [ 0.403222 0.855416 0.272773 ] [ 0.605416 0.977227 0.153222 ] [ 0.355416 0.772773 0.403222 ] [ 0.437823 0.562177 0.937823 ] [ 0.272773 0.596778 0.144584 ] [ 0.562177 0.437823 0.937823 ] [ 0.437823 0.437823 0.062177 ] [ 0.727227 0.596778 0.855416 ] [ 0.562177 0.562177 0.062177 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "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" "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" "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" "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" ] } "a" { "source-value" 13.89780649 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.221444259655173 "source-unit" "eV" } }