{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.331252 0 0.222419 ] [ 0.331252 0.331252 0.722419 ] [ 0 0.668748 0.722419 ] [ 0 0.331252 0.222419 ] [ 0.668748 0 0.722419 ] [ 0.668748 0.668748 0.222419 ] [ 0.333333 0.666667 0.032151 ] [ 0.666667 0.333333 0.532151 ] [ 0.333333 0.666667 0.532151 ] [ 0.666667 0.333333 0.032151 ] [ 0 0 0.582491 ] [ 0 0 0.082491 ] [ 0.351167 0 0.853931 ] [ 0.351167 0.351167 0.353931 ] [ 0 0.648833 0.353931 ] [ 0 0.351167 0.853931 ] [ 0.648833 0.648833 0.853931 ] [ 0.648833 0 0.353931 ] [ 0 0 0.647787 ] [ 0 0 0.147787 ] [ 0.333333 0.666667 0.140867 ] [ 0.666667 0.333333 0.640867 ] [ 0.333333 0.666667 0.640867 ] [ 0.666667 0.333333 0.140867 ] [ 0.488165 0 0.990764 ] [ 0.488165 0.488165 0.490764 ] [ 0 0.511835 0.490764 ] [ 0 0.488165 0.990764 ] [ 0.511835 0.511835 0.990764 ] [ 0.511835 0 0.490764 ] [ 0.663853 0 0.288547 ] [ 0.663853 0.663853 0.788547 ] [ 0 0.336147 0.788547 ] [ 0 0.663853 0.288547 ] [ 0.336147 0.336147 0.288547 ] [ 0.336147 0 0.788547 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.37139392067 "source-unit" "angstrom" } "c" { "source-value" 14.80712716 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.3439923886111105 "source-unit" "eV" } }