{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.33444 4.977012 4.755493 4.594547 4.468063 4.363855 4.275238 4.198149 4.129931 4.068752 4.013293 3.962576 3.915854 3.872542 3.832177 3.794383 3.758852 3.725329 3.693598 3.663478 3.634812 3.607468 3.581327 3.55629 3.539245 3.521306 3.502374 3.482332 3.461043 3.438339 3.414022 3.387841 3.35949 3.328575 3.294585 3.256841 3.21441 3.165959 3.109495 3.04183 2.957393 2.84503 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.33444e-10 4.977012e-10 4.755493000000001e-10 4.5945470000000005e-10 4.468063e-10 4.3638550000000004e-10 4.275238e-10 4.198149e-10 4.129931e-10 4.068752e-10 4.0132930000000003e-10 3.962576e-10 3.915854e-10 3.8725420000000003e-10 3.8321770000000004e-10 3.794383e-10 3.758852e-10 3.725329e-10 3.6935980000000004e-10 3.663478e-10 3.6348120000000004e-10 3.607468e-10 3.581327e-10 3.5562900000000003e-10 3.5392450000000004e-10 3.5213060000000004e-10 3.502374e-10 3.4823320000000003e-10 3.461043e-10 3.438339e-10 3.414022e-10 3.387841e-10 3.35949e-10 3.328575e-10 3.294585e-10 3.256841e-10 3.21441e-10 3.165959e-10 3.109495e-10 3.04183e-10 2.9573930000000004e-10 2.84503e-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 0 0.192778 1.43273 3.01592 4.414 5.43129 6.04064 6.31171 6.50096 6.66557 6.80874 6.93304 7.04056 7.13305 7.21196 7.27853 7.33382 7.37875 7.41412 7.44064 7.45893 7.46955 7.47299 7.47134 7.46593 7.45596 7.4404 7.41797 7.38698 7.34526 7.28991 7.217 7.12109 6.99447 6.82583 6.59794 6.28336 5.83554 5.16904 3.95879 -7.58897 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 3.08864407149252e-20 2.29548652883082e-19 4.8320365540132795e-19 7.072007662475999e-19 8.701885930477858e-19 9.67817226240576e-19 1.011247428258414e-18 1.041568621056864e-18 1.067942050629138e-18 1.090880413498116e-18 1.110795469058736e-18 1.128022072227504e-18 1.1428406039153698e-18 1.155483379734264e-18 1.166149069586802e-18 1.175007504196188e-18 1.18220608381275e-18 1.1878729825672078e-18 1.192121955000576e-18 1.195052336064162e-18 1.1967538476494698e-18 1.197304996411566e-18 1.1970406372669559e-18 1.1961738597079619e-18 1.194576489603864e-18 1.19208350276136e-18 1.1884898205712979e-18 1.183524675182532e-18 1.1768403942654839e-18 1.167972346596294e-18 1.1562908767578e-18 1.1409244006611059e-18 1.1206376401213979e-18 1.0936185333656219e-18 1.057106530053396e-18 1.0067052575010239e-18 9.349565834772358e-19 8.281715108211359e-19 6.342680836912859e-19 -1.2158870410126978e-18 ] } }