{ "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" [ 8.76623 8.17886 7.814831 7.550344 7.34249 7.171242 7.025616 6.898934 6.78683 6.686292 6.595155 6.51181 6.43503 6.363855 6.297522 6.235415 6.177026 6.121936 6.069792 6.020294 5.973187 5.928251 5.885295 5.84415 5.802555 5.759691 5.715478 5.669828 5.622646 5.573825 5.523245 5.470778 5.416275 5.359572 5.300485 5.238804 5.17429 5.106672 5.035635 4.960814 4.881785 4.798045 4.708996 4.613921 4.511943 4.401981 4.282678 4.152299 4.008575 3.848457 3.667721 3.46026 3.216774 2.92207 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.76623e-10 8.17886e-10 7.814831e-10 7.550344e-10 7.34249e-10 7.171242000000001e-10 7.025616000000001e-10 6.898934e-10 6.78683e-10 6.686292e-10 6.595155e-10 6.51181e-10 6.43503e-10 6.363855e-10 6.297522e-10 6.235415e-10 6.177025999999999e-10 6.121936e-10 6.069792e-10 6.020294e-10 5.973187000000001e-10 5.928251000000001e-10 5.885295000000001e-10 5.84415e-10 5.802555e-10 5.759691e-10 5.715478e-10 5.669828e-10 5.622646e-10 5.573825000000001e-10 5.523245e-10 5.470778000000001e-10 5.416274999999999e-10 5.359572e-10 5.300485e-10 5.238804e-10 5.17429e-10 5.106672e-10 5.035635e-10 4.960814e-10 4.881785e-10 4.798045e-10 4.708996e-10 4.6139210000000004e-10 4.511943e-10 4.4019810000000006e-10 4.282678e-10 4.1522990000000004e-10 4.008575000000001e-10 3.848457e-10 3.667721e-10 3.46026e-10 3.216774e-10 2.9220700000000004e-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" [ 1.48633 1.7412 1.9316 2.09484 2.23941 2.36909 2.48283 2.58083 2.66473 2.73632 2.798 2.85228 2.90084 2.9446 2.98397 3.01907 3.04993 3.07651 3.09882 3.11689 3.13078 3.14059 3.14641 3.14833 3.14622 3.13927 3.12649 3.10672 3.07866 3.0406 2.99065 2.92875 2.85393 2.76481 2.65985 2.53723 2.39457 2.22885 2.03623 1.8119 1.54959 1.24063 0.87237 0.425792 -0.133454 -0.885 -2.04367 -4.14112 -8.57922 -19.4672 -50.0618 -149.412 -538.778 -2569.57 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.38136319641322e-19 2.7897099551208e-19 3.0947643862343997e-19 3.35630369996856e-19 3.5879303759459396e-19 3.7957006418430596e-19 3.9779322121942194e-19 4.13494552232622e-19 4.26936814191882e-19 4.384067967146879e-19 4.482890221932e-19 4.569856369625519e-19 4.647658066972559e-19 4.717769316476399e-19 4.780847010556979e-19 4.83708341041038e-19 4.886526581335619e-19 4.929112436267339e-19 4.96485699697188e-19 4.99380832874826e-19 5.01606256219452e-19 5.031779914974059e-19 5.041104582983939e-19 5.044180762121219e-19 5.04080016942348e-19 5.02966504181718e-19 5.00918922443466e-19 4.97751419238048e-19 4.93255711603044e-19 4.871578273340399e-19 4.7915495504721e-19 4.6923748168275e-19 4.57249996107162e-19 4.42971397944954e-19 4.2615495199448996e-19 4.06509062108382e-19 3.8365241024773797e-19 3.5710113906909e-19 3.26240012744982e-19 2.9029838431446e-19 2.4827168902800596e-19 1.9877083974394196e-19 1.39769083020258e-19 6.82193993344128e-20 -2.1381688051383596e-20 -1.41792632109e-19 -3.27432032160678e-19 -6.63480570259008e-19 -1.3745425821945479e-18 -3.1189892969404794e-18 -8.020784621598119e-18 -2.3938441523920798e-17 -8.63217522513252e-17 -4.11690501342738e-16 ] } }