{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.75987 9.105923 8.700632 8.406167 8.174753 7.984094 7.821962 7.680921 7.55611 7.444176 7.342709 7.249918 7.164435 7.085192 7.011341 6.942194 6.877187 6.815852 6.757798 6.70269 6.650244 6.600214 6.552388 6.50658 6.475395 6.442574 6.407935 6.371267 6.332316 6.290778 6.246286 6.198387 6.146516 6.089953 6.027765 5.958709 5.881077 5.792432 5.689124 5.565324 5.410839 5.20526 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.75987e-10 9.105923000000001e-10 8.700632000000001e-10 8.406167e-10 8.174753000000001e-10 7.984094000000001e-10 7.821962000000001e-10 7.680921e-10 7.55611e-10 7.444176e-10 7.342709000000001e-10 7.249918000000001e-10 7.164435e-10 7.085192e-10 7.011341e-10 6.942194e-10 6.877187000000001e-10 6.815851999999999e-10 6.757798000000001e-10 6.70269e-10 6.650244e-10 6.600214000000001e-10 6.552388e-10 6.50658e-10 6.475395e-10 6.442574e-10 6.407935e-10 6.371266999999999e-10 6.332316e-10 6.290778000000001e-10 6.246286e-10 6.198387000000001e-10 6.146516e-10 6.089953e-10 6.027765e-10 5.958709e-10 5.881077e-10 5.792432e-10 5.689124e-10 5.565324000000001e-10 5.410839000000001e-10 5.20526e-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 1.34738 1.57646 1.71882 1.83185 1.92431 2.00139 2.06648 2.12193 2.16942 2.21023 2.24532 2.27548 2.30132 2.32335 2.34199 2.35759 2.37046 2.38084 2.38896 2.395 2.39915 2.40154 2.40232 2.40195 2.40075 2.39854 2.39511 2.39019 2.38342 2.37436 2.3624 2.34674 2.32628 2.29945 2.264 2.21652 2.15161 2.06028 1.92619 1.71633 1.35184 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.15874075311892e-19 2.5257673764356396e-19 2.7538532420518797e-19 2.9349472669929e-19 3.08308451857254e-19 3.2065802935212593e-19 3.3108659706283197e-19 3.3997066649836194e-19 3.47579403333228e-19 3.5411788617658197e-19 3.59739923985288e-19 3.6457208871343196e-19 3.68712113135688e-19 3.7224170826039e-19 3.75228165506166e-19 3.7772756105520597e-19 3.7978956238316397e-19 3.81452621729256e-19 3.8275358915606397e-19 3.8372130384299996e-19 3.8438620714611e-19 3.8476912736163593e-19 3.8489409713908797e-19 3.8483481660362994e-19 3.8464255540754995e-19 3.84288474371436e-19 3.8373892778597393e-19 3.82950656882046e-19 3.8186598330082797e-19 3.8041441127042396e-19 3.7849820801616e-19 3.75989199407316e-19 3.72711146014152e-19 3.6841250610513e-19 3.6273278993759995e-19 3.55125655279368e-19 3.4472592674807395e-19 3.30093247549752e-19 3.08609661064446e-19 2.7498638222332196e-19 2.1658864609065598e-19 ] } }