{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.87263 7.345135 7.018214 6.780689 6.594023 6.440231 6.30945 6.195682 6.095005 6.004716 5.922869 5.848021 5.779067 5.715148 5.655577 5.5998 5.547363 5.497889 5.45106 5.406608 5.364304 5.323948 5.28537 5.24842 5.211065 5.17257 5.132864 5.091868 5.049496 5.005651 4.960228 4.913108 4.864161 4.813239 4.760175 4.704781 4.646844 4.586119 4.522323 4.45513 4.384156 4.308952 4.228981 4.143597 4.052015 3.953262 3.846121 3.729033 3.599959 3.456164 3.293851 3.107538 2.888873 2.62421 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.872630000000001e-10 7.345135000000001e-10 7.018214000000001e-10 6.780689e-10 6.594023e-10 6.440231e-10 6.30945e-10 6.195682e-10 6.095005e-10 6.004716e-10 5.922869000000001e-10 5.848021e-10 5.779067000000001e-10 5.715148e-10 5.655577000000001e-10 5.599800000000001e-10 5.547363e-10 5.497889e-10 5.451060000000001e-10 5.406608e-10 5.364304e-10 5.323947999999999e-10 5.285370000000001e-10 5.24842e-10 5.211065e-10 5.17257e-10 5.132864e-10 5.091868e-10 5.049496000000001e-10 5.005651e-10 4.960228e-10 4.913108000000001e-10 4.864161000000001e-10 4.813239000000001e-10 4.760175e-10 4.704781e-10 4.646844e-10 4.586119e-10 4.522323e-10 4.4551299999999997e-10 4.384156e-10 4.308952e-10 4.228981e-10 4.143597e-10 4.052015e-10 3.953262e-10 3.8461210000000003e-10 3.729033e-10 3.5999590000000003e-10 3.456164e-10 3.2938510000000003e-10 3.107538e-10 2.888873e-10 2.62421e-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" [ 0.58457 0.745286 0.858158 0.945654 1.01753 1.08096 1.14229 1.20566 1.27222 1.34263 1.41471 1.48127 1.54349 1.60013 1.65056 1.69455 1.73214 1.76357 1.78916 1.80928 1.82431 1.83462 1.84057 1.84249 1.84047 1.83402 1.82251 1.80518 1.78117 1.74947 1.70887 1.65793 1.59492 1.51771 1.42373 1.30981 1.17199 1.00532 0.803475 0.558318 0.259223 -0.107815 -0.561466 -1.12685 -1.83823 -2.74301 -3.90739 -5.42481 -7.42762 -10.1023 -13.7032 -18.5484 -24.9797 -33.7554 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.3658439493738e-20 1.194079814847324e-19 1.3749206958801718e-19 1.5151047426486358e-19 1.63026279039402e-19 1.7318888542886398e-19 1.83015034725186e-19 1.9316802805484399e-19 2.0383211573074797e-19 2.1511304141074198e-19 2.2666153058861396e-19 2.37325618264518e-19 2.4729436128126597e-19 2.5636908973624197e-19 2.64448866501504e-19 2.7149684151447e-19 2.77519423481676e-19 2.82555064642338e-19 2.8665503464874397e-19 2.89878614036352e-19 2.92286685517254e-19 2.9393852962690795e-19 2.94891824724138e-19 2.9519944263786597e-19 2.9487580295779797e-19 2.93842399028868e-19 2.91998293723134e-19 2.89221721616412e-19 2.85374895518178e-19 2.80295995588398e-19 2.7379115845435795e-19 2.65629670680762e-19 2.55534355709928e-19 2.43163949918814e-19 2.28106693912482e-19 2.0985469769795398e-19 1.87773499328166e-19 1.61070021369288e-19 1.28730887100315e-19 8.945240539416119e-20 4.1532103359538196e-20 -1.7273867379470998e-20 -8.99567705985444e-20 -1.8054127400228997e-19 -2.94516915391782e-19 -4.39478652882834e-19 -6.260328957925259e-19 -8.69150382588954e-19 -1.190035921023108e-18 -1.6185669009658199e-18 -2.19549468510288e-18 -2.97178130780856e-18 -4.00218916643298e-18 -5.40821131513236e-18 ] } }