{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.234785 0.960208 0.25 ] [ 0.725424 0.960208 0.75 ] [ 0.234785 0.274576 0.75 ] [ 0.039792 0.274576 0.25 ] [ 0.039792 0.765215 0.75 ] [ 0.725424 0.765215 0.25 ] [ 0.965845 0.768066 0.25 ] [ 0.600821 0.657518 0.12494 ] [ 0.600821 0.943303 0.62494 ] [ 0.342482 0.943303 0.37506 ] [ 0.056697 0.399179 0.37506 ] [ 0.231934 0.197779 0.25 ] [ 0.600821 0.657518 0.37506 ] [ 0.342482 0.399179 0.87506 ] [ 0.056697 0.399179 0.12494 ] [ 0.600821 0.943303 0.87506 ] [ 0.056697 0.657518 0.62494 ] [ 0.802221 0.768066 0.75 ] [ 0.056697 0.657518 0.87506 ] [ 0.342482 0.943303 0.12494 ] [ 0.965845 0.197779 0.75 ] [ 0.802221 0.034155 0.25 ] [ 0.231934 0.034155 0.75 ] [ 0.342482 0.399179 0.62494 ] ] } "species" { "source-value" [ "Sn" "Sn" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.72516664 "source-unit" "angstrom" } "c" { "source-value" 10.29463469 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.932580938461539 "source-unit" "eV" } }