{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.813226 0.813226 0.813226 ] [ 0.686774 0.186774 0.313226 ] [ 0.313226 0.686774 0.186774 ] [ 0.186774 0.313226 0.686774 ] [ 0.187615 0.187615 0.187615 ] [ 0.312385 0.812385 0.687615 ] [ 0.687615 0.312385 0.812385 ] [ 0.812385 0.687615 0.312385 ] [ 0.79798 0.557237 0.001022 ] [ 0.001022 0.79798 0.557237 ] [ 0.557237 0.001022 0.79798 ] [ 0.942763 0.998978 0.29798 ] [ 0.501022 0.70202 0.442763 ] [ 0.442763 0.501022 0.70202 ] [ 0.498978 0.20202 0.057237 ] [ 0.998978 0.29798 0.942763 ] [ 0.057237 0.498978 0.20202 ] [ 0.29798 0.942763 0.998978 ] [ 0.20202 0.057237 0.498978 ] [ 0.70202 0.442763 0.501022 ] [ 0.519615 0.703077 0.938486 ] [ 0.938486 0.519615 0.703077 ] [ 0.703077 0.938486 0.519615 ] [ 0.796923 0.061514 0.019615 ] [ 0.438486 0.980385 0.296923 ] [ 0.296923 0.438486 0.980385 ] [ 0.561514 0.480385 0.203077 ] [ 0.061514 0.019615 0.796923 ] [ 0.203077 0.561514 0.480385 ] [ 0.019615 0.796923 0.061514 ] [ 0.480385 0.203077 0.561514 ] [ 0.980385 0.296923 0.438486 ] [ 0.432024 0.432024 0.432024 ] [ 0.067976 0.567976 0.932024 ] [ 0.932024 0.067976 0.567976 ] [ 0.567976 0.932024 0.067976 ] [ 0.760094 0.19371 0.575599 ] [ 0.575599 0.760094 0.19371 ] [ 0.19371 0.575599 0.760094 ] [ 0.30629 0.424401 0.260094 ] [ 0.075599 0.739906 0.80629 ] [ 0.80629 0.075599 0.739906 ] [ 0.924401 0.239906 0.69371 ] [ 0.424401 0.260094 0.30629 ] [ 0.69371 0.924401 0.239906 ] [ 0.260094 0.30629 0.424401 ] [ 0.239906 0.69371 0.924401 ] [ 0.739906 0.80629 0.075599 ] [ 0.746573 0.687406 0.582307 ] [ 0.582307 0.746573 0.687406 ] [ 0.687406 0.582307 0.746573 ] [ 0.812594 0.417693 0.246573 ] [ 0.082307 0.753427 0.312594 ] [ 0.312594 0.082307 0.753427 ] [ 0.917693 0.253427 0.187406 ] [ 0.417693 0.246573 0.812594 ] [ 0.187406 0.917693 0.253427 ] [ 0.246573 0.812594 0.417693 ] [ 0.253427 0.187406 0.917693 ] [ 0.753427 0.312594 0.082307 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 13.0864646 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.8088684078333332 "source-unit" "eV" } }