{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.56665 7.059656 6.745441 6.517147 6.337736 6.189922 6.064223 5.954877 5.858113 5.771332 5.692667 5.620727 5.554454 5.493018 5.435762 5.382154 5.331755 5.284204 5.239195 5.19647 5.15581 5.117023 5.079944 5.04443 5.020253 4.994807 4.967953 4.939524 4.909326 4.877123 4.842629 4.805493 4.765279 4.721427 4.673214 4.619676 4.559489 4.490764 4.410671 4.314691 4.194921 4.03554 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.56665e-10 7.059656e-10 6.745441e-10 6.517147e-10 6.337736e-10 6.189922e-10 6.064223000000001e-10 5.954877e-10 5.858113000000001e-10 5.771332e-10 5.692667e-10 5.620726999999999e-10 5.554454e-10 5.493018e-10 5.435762e-10 5.382154e-10 5.331755e-10 5.284204e-10 5.239194999999999e-10 5.19647e-10 5.15581e-10 5.117023e-10 5.079944000000001e-10 5.04443e-10 5.020253e-10 4.994807e-10 4.967952999999999e-10 4.939524e-10 4.909326e-10 4.877123000000001e-10 4.842628999999999e-10 4.805493e-10 4.765279e-10 4.721427e-10 4.673214e-10 4.619676e-10 4.559489e-10 4.4907640000000006e-10 4.410671e-10 4.314691e-10 4.194921e-10 4.0355400000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.800474 1.13182 1.37277 1.55943 1.70845 1.83034 1.9313 2.01634 2.08956 2.15337 2.20918 2.258 2.30067 2.33787 2.37016 2.39803 2.42185 2.44192 2.45849 2.47173 2.48179 2.48881 2.49292 2.49425 2.49359 2.49144 2.48747 2.48125 2.47223 2.45967 2.44258 2.41963 2.38898 2.34807 2.29344 2.22027 2.1214 1.98555 1.79342 1.50801 1.04747 0.198503 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2825007283582592e-19 1.8133755429538562e-19 2.1994199997356164e-19 2.498482287774144e-19 2.73723864780576e-19 2.932527956115072e-19 3.0942837077510403e-19 3.2305328075838724e-19 3.3478441797588483e-19 3.4500790699320956e-19 3.5394965471389443e-19 3.6177148097664004e-19 3.6860796861759363e-19 3.7456806564696963e-19 3.797414939555328e-19 3.842067601977024e-19 3.8802314490844805e-19 3.9123871338639364e-19 3.9389352004705917e-19 3.960148018929984e-19 3.9762659157352325e-19 3.987513195613248e-19 3.994098141524736e-19 3.9962290364304005e-19 3.9951715998606727e-19 3.991726920125952e-19 3.9853662789413765e-19 3.9754007403600003e-19 3.9609491072403843e-19 3.9408257688831362e-19 3.913444570433664e-19 3.8766746169863045e-19 3.8275679035587844e-19 3.762022858001856e-19 3.674495949207552e-19 3.5572646858636167e-19 3.39885748336512e-19 3.1812017894294403e-19 2.873375595275136e-19 2.4160983659326083e-19 1.6782319449893759e-19 3.1803686575866243e-20 ] } }