{ "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" [ 2.75215 3.6431 4.28639 4.79084 5.20305 5.54816 5.84162 6.09372 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 -3.0593 -3.27449 -3.51255 -3.77745 -4.07421 -4.40915 -4.79055 -5.22919 -5.73971 -6.34231 -7.06583 -7.95302 -9.07038 -10.5277 -12.5215 -21.4319 -27.2674 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.409430423263099e-19 5.8368896953254e-19 6.86755390221126e-19 7.67577190523256e-19 8.3362051355337e-19 8.88913231369344e-19 9.359307068707079e-19 9.76321579813848e-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 -4.901538976396199e-19 -5.246311366266659e-19 -5.627725535756699e-19 -6.0521421261033e-19 -6.52760406400914e-19 -7.0642371058011e-19 -7.675307274008699e-19 -8.37808603274646e-19 -9.19602924793614e-19 -1.016150088758454e-18 -1.132070772581622e-18 -1.274214281373468e-18 -1.453235089750092e-18 -1.6867234949761797e-18 -2.0061654722630998e-18 -3.4337689402224597e-18 -4.36871911499316e-18 ] } }