{ "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" [ [ 0.01336 0.01336 0.01336 ] [ 0.125 0.875 0.375 ] [ 0.23664 0.23664 0.23664 ] [ 0.26336 0.76336 0.73664 ] [ 0.375 0.125 0.875 ] [ 0.48664 0.98664 0.51336 ] [ 0.51336 0.48664 0.98664 ] [ 0.625 0.625 0.625 ] [ 0.73664 0.26336 0.76336 ] [ 0.76336 0.73664 0.26336 ] [ 0.875 0.375 0.125 ] [ 0.98664 0.51336 0.48664 ] [ 0.104136 0.145864 0.625 ] [ 0.125 0.395864 0.854136 ] [ 0.145864 0.625 0.104136 ] [ 0.354136 0.375 0.604136 ] [ 0.375 0.604136 0.354136 ] [ 0.395864 0.854136 0.125 ] [ 0.604136 0.354136 0.375 ] [ 0.625 0.104136 0.145864 ] [ 0.645864 0.875 0.895864 ] [ 0.854136 0.125 0.395864 ] [ 0.875 0.895864 0.645864 ] [ 0.895864 0.645864 0.875 ] [ 0.069282 0.141661 0.406813 ] [ 0.093187 0.930718 0.641661 ] [ 0.120284 0.620284 0.879716 ] [ 0.141661 0.406813 0.069282 ] [ 0.108339 0.180718 0.843187 ] [ 0.129716 0.370284 0.629716 ] [ 0.156813 0.608339 0.319282 ] [ 0.180718 0.843187 0.108339 ] [ 0.319282 0.156813 0.608339 ] [ 0.343187 0.391661 0.819282 ] [ 0.370284 0.629716 0.129716 ] [ 0.391661 0.819282 0.343187 ] [ 0.358339 0.593187 0.569282 ] [ 0.379716 0.379716 0.379716 ] [ 0.406813 0.069282 0.141661 ] [ 0.430718 0.858339 0.906813 ] [ 0.569282 0.358339 0.593187 ] [ 0.593187 0.569282 0.358339 ] [ 0.620284 0.879716 0.120284 ] [ 0.641661 0.093187 0.930718 ] [ 0.608339 0.319282 0.156813 ] [ 0.629716 0.129716 0.370284 ] [ 0.656813 0.891661 0.680718 ] [ 0.680718 0.656813 0.891661 ] [ 0.819282 0.343187 0.391661 ] [ 0.843187 0.108339 0.180718 ] [ 0.870284 0.870284 0.870284 ] [ 0.891661 0.680718 0.656813 ] [ 0.858339 0.906813 0.430718 ] [ 0.879716 0.120284 0.620284 ] [ 0.906813 0.430718 0.858339 ] [ 0.930718 0.641661 0.093187 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 8.76913317 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.153446205892857 "source-unit" "eV" } }