{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P4_332" } "basis-atom-coordinates" { "source-value" [ [ 0.003582 0.003582 0.003582 ] [ 0.875 0.375 0.125 ] [ 0.246418 0.246418 0.246418 ] [ 0.753582 0.746418 0.253582 ] [ 0.125 0.875 0.375 ] [ 0.996418 0.503582 0.496418 ] [ 0.496418 0.996418 0.503582 ] [ 0.625 0.625 0.625 ] [ 0.253582 0.753582 0.746418 ] [ 0.746418 0.253582 0.753582 ] [ 0.375 0.125 0.875 ] [ 0.503582 0.496418 0.996418 ] [ 0.127667 0.625 0.122333 ] [ 0.377667 0.872333 0.125 ] [ 0.625 0.122333 0.127667 ] [ 0.375 0.622333 0.372333 ] [ 0.622333 0.372333 0.375 ] [ 0.872333 0.125 0.377667 ] [ 0.372333 0.375 0.622333 ] [ 0.122333 0.127667 0.625 ] [ 0.875 0.877667 0.627667 ] [ 0.125 0.377667 0.872333 ] [ 0.877667 0.627667 0.875 ] [ 0.627667 0.875 0.877667 ] [ 0.13006 0.393342 0.098872 ] [ 0.901128 0.63006 0.106658 ] [ 0.615313 0.884687 0.115313 ] [ 0.393342 0.098872 0.13006 ] [ 0.151128 0.856658 0.11994 ] [ 0.365313 0.634687 0.134687 ] [ 0.61994 0.348872 0.143342 ] [ 0.856658 0.11994 0.151128 ] [ 0.143342 0.61994 0.348872 ] [ 0.38006 0.848872 0.356658 ] [ 0.634687 0.134687 0.365313 ] [ 0.848872 0.356658 0.38006 ] [ 0.606658 0.598872 0.36994 ] [ 0.384687 0.384687 0.384687 ] [ 0.098872 0.13006 0.393342 ] [ 0.86994 0.893342 0.401128 ] [ 0.36994 0.606658 0.598872 ] [ 0.598872 0.36994 0.606658 ] [ 0.884687 0.115313 0.615313 ] [ 0.106658 0.901128 0.63006 ] [ 0.348872 0.143342 0.61994 ] [ 0.134687 0.365313 0.634687 ] [ 0.88006 0.651128 0.643342 ] [ 0.643342 0.88006 0.651128 ] [ 0.356658 0.38006 0.848872 ] [ 0.11994 0.151128 0.856658 ] [ 0.865313 0.865313 0.865313 ] [ 0.651128 0.643342 0.88006 ] [ 0.893342 0.401128 0.86994 ] [ 0.115313 0.615313 0.884687 ] [ 0.401128 0.86994 0.893342 ] [ 0.63006 0.106658 0.901128 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 8.27511585 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.410188034642857 "source-unit" "eV" } }