{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.52135 0.47865 0.692782 ] [ 0.52135 0.042699 0.692782 ] [ 0.957301 0.47865 0.692782 ] [ 0.042699 0.52135 0.307218 ] [ 0.47865 0.957301 0.307218 ] [ 0.47865 0.52135 0.307218 ] [ 0.167977 0.832023 0.802415 ] [ 0.167977 0.335954 0.802415 ] [ 0.664046 0.832023 0.802415 ] [ 0.335954 0.167977 0.197585 ] [ 0.832023 0.664046 0.197585 ] [ 0.832023 0.167977 0.197585 ] [ 0.666667 0.333333 0.180003 ] [ 0.666667 0.333333 0.883804 ] [ 0.333333 0.666667 0.116196 ] [ 0.346693 0.346693 0 ] [ 0 0.653307 0 ] [ 0.653307 0 0 ] [ 0.653307 0.653307 0 ] [ 0.333333 0.666667 0.819997 ] [ 0.436353 0.218177 0.452621 ] [ 0.218177 0.781823 0.547379 ] [ 0.218177 0.436353 0.547379 ] [ 0.563647 0.781823 0.547379 ] [ 0.117504 0.882496 0.274128 ] [ 0.781823 0.563647 0.452621 ] [ 0.781823 0.218177 0.452621 ] [ 0.346693 0 0 ] [ 0.117504 0.235008 0.274128 ] [ 0.764992 0.882496 0.274128 ] [ 0.235008 0.117504 0.725872 ] [ 0.882496 0.764992 0.725872 ] [ 0.882496 0.117504 0.725872 ] [ 0 0 0.5 ] [ 0 0.346693 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Co" "Co" "Co" "Co" "Co" "Co" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 9.70541737766 "source-unit" "angstrom" } "c" { "source-value" 9.93145306 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.0422505780555555 "source-unit" "eV" } }