{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.862104 0.219267 0.26087 ] [ 0.357163 0.137896 0.26087 ] [ 0.137896 0.780733 0.76087 ] [ 0.219267 0.357163 0.76087 ] [ 0.642837 0.862104 0.76087 ] [ 0.780733 0.642837 0.26087 ] [ 0 0 0.701697 ] [ 0 0 0.201697 ] [ 0.666667 0.333333 0.832968 ] [ 0.333333 0.666667 0.332968 ] [ 0.5717 0.087719 0.005405 ] [ 0.254583 0.101007 0.718025 ] [ 0.912281 0.483981 0.005405 ] [ 0.153575 0.254583 0.218025 ] [ 0.483981 0.5717 0.505405 ] [ 0.4283 0.912281 0.505405 ] [ 0.333333 0.666667 0.944435 ] [ 0.666667 0.333333 0.444435 ] [ 0.846425 0.745417 0.718025 ] [ 0.745417 0.898993 0.218025 ] [ 0.087719 0.516019 0.505405 ] [ 0.101007 0.846425 0.218025 ] [ 0.516019 0.4283 0.005405 ] [ 0.898993 0.153575 0.718025 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.1643728844 "source-unit" "angstrom" } "c" { "source-value" 6.12937758 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.718269361250001 "source-unit" "eV" } }