{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.918366 0.636705 0.75 ] [ 0.281661 0.918366 0.25 ] [ 0.636705 0.718339 0.25 ] [ 0.363295 0.281661 0.75 ] [ 0.718339 0.081634 0.75 ] [ 0.081634 0.363295 0.25 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.316975 0.866241 0.75 ] [ 0.450734 0.316975 0.25 ] [ 0.866241 0.549266 0.25 ] [ 0.133759 0.450734 0.75 ] [ 0.549266 0.683025 0.75 ] [ 0.683025 0.133759 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 8.28678614 "source-unit" "angstrom" } "c" { "source-value" 5.53418002 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.358249006428571 "source-unit" "eV" } }