{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.987996 0.493998 0.25 ] [ 0.012004 0.506002 0.75 ] [ 0.493998 0.506002 0.75 ] [ 0.506002 0.012004 0.25 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.506002 0.493998 0.25 ] [ 0.493998 0.987996 0.75 ] [ 0.333333 0.666667 0.619884 ] [ 0.666667 0.333333 0.119884 ] [ 0.666667 0.333333 0.380116 ] [ 0.333333 0.666667 0.880116 ] [ 0.167782 0.335565 0.376361 ] [ 0.832218 0.167782 0.876361 ] [ 0.335565 0.167782 0.876361 ] [ 0.664435 0.832218 0.376361 ] [ 0.167782 0.832218 0.376361 ] [ 0.832218 0.664435 0.876361 ] [ 0.167782 0.335565 0.123639 ] [ 0.832218 0.167782 0.623639 ] [ 0.335565 0.167782 0.623639 ] [ 0.664435 0.832218 0.123639 ] [ 0.167782 0.832218 0.123639 ] [ 0.832218 0.664435 0.623639 ] ] } "species" { "source-value" [ "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.72419202948 "source-unit" "angstrom" } "c" { "source-value" 12.35083966 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.4240003265384615 "source-unit" "eV" } }