{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.189381 0.810619 0.833034 ] [ 0.378762 0.189381 0.333034 ] [ 0.810619 0.621238 0.333034 ] [ 0.189381 0.378762 0.833034 ] [ 0.621238 0.810619 0.833034 ] [ 0.810619 0.189381 0.333034 ] [ 0.121852 0.878148 0.242586 ] [ 0.243703 0.121852 0.742586 ] [ 0.878148 0.756297 0.742586 ] [ 0.121852 0.243703 0.242586 ] [ 0.756297 0.878148 0.242586 ] [ 0.878148 0.121852 0.742586 ] [ 0.333333 0.666667 0.072212 ] [ 0.666667 0.333333 0.572212 ] [ 0.456681 0.543319 0.570975 ] [ 0.913362 0.456681 0.070975 ] [ 0.543319 0.086638 0.070975 ] [ 0.456681 0.913362 0.570975 ] [ 0.086638 0.543319 0.570975 ] [ 0.543319 0.456681 0.070975 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" 7.51940841864 "source-unit" "angstrom" } "c" { "source-value" 4.75556989 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.633108393499999 "source-unit" "eV" } }