{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_1" } "basis-atom-coordinates" { "source-value" [ [ 0.411373 0.409617 0.668261 ] [ 0.998244 0.588627 0.334928 ] [ 0.590383 0.001756 0.001594 ] [ 0.416964 0.420813 0.167943 ] [ 0.003849 0.583036 0.83461 ] [ 0.579187 0.996151 0.501276 ] [ 0.898754 0.885295 0.641709 ] [ 0.986542 0.101246 0.308376 ] [ 0.114705 0.013458 0.975042 ] [ 0.154788 0.542865 0.656806 ] [ 0.388077 0.845212 0.323472 ] [ 0.457135 0.611923 0.990139 ] [ 0.055893 0.042977 0.778883 ] [ 0.957023 0.012916 0.112216 ] [ 0.987084 0.944107 0.445549 ] [ 0.348101 0.192036 0.011198 ] [ 0.807964 0.156064 0.344531 ] [ 0.843936 0.651899 0.677864 ] [ 0.185594 0.327718 0.327145 ] [ 0.672282 0.857876 0.660478 ] [ 0.142124 0.814406 0.993812 ] [ 0.613629 0.471566 0.342223 ] [ 0.528434 0.142064 0.675556 ] [ 0.857936 0.386371 0.008889 ] ] } "species" { "source-value" [ "La" "La" "La" "Ge" "Ge" "Ge" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.06524491271 "source-unit" "angstrom" } "c" { "source-value" 6.92244449 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.695952125833333 "source-unit" "eV" } }