{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.490749 0.051462 0.75 ] [ 0.439286 0.948538 0.25 ] [ 0.509251 0.560714 0.25 ] [ 0.560714 0.509251 0.75 ] [ 0.948538 0.439286 0.75 ] [ 0.051462 0.490749 0.25 ] [ 0.820463 0 0.5 ] [ 0.820463 0 0 ] [ 0 0.820463 0.5 ] [ 0.179537 0.179537 0.5 ] [ 0.179537 0.179537 0 ] [ 0 0.820463 0 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.814603 0.541143 0.478498 ] [ 0.541143 0.814603 0.521502 ] [ 0.992573 0.177419 0.75 ] [ 0.273459 0.458857 0.521502 ] [ 0.007427 0.184846 0.25 ] [ 0.726541 0.185397 0.478498 ] [ 0.815154 0.822581 0.25 ] [ 0.185397 0.726541 0.521502 ] [ 0.458857 0.273459 0.478498 ] [ 0.814603 0.541143 0.021502 ] [ 0.458857 0.273459 0.021502 ] [ 0.184846 0.007427 0.75 ] [ 0.177419 0.992573 0.25 ] [ 0.185397 0.726541 0.978498 ] [ 0.822581 0.815154 0.75 ] [ 0.726541 0.185397 0.021502 ] [ 0.273459 0.458857 0.978498 ] [ 0.541143 0.814603 0.978498 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "B" "B" "B" "B" "B" "B" "B" "B" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 8.80039925789 "source-unit" "angstrom" } "c" { "source-value" 6.5770722 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.0446811915625 "source-unit" "eV" } }