{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.48513 7.916594 7.564239 7.308233 7.107044 6.941287 6.800331 6.677711 6.569202 6.471888 6.383673 6.303001 6.228683 6.15979 6.095584 6.035468 5.978952 5.925628 5.875156 5.827246 5.78165 5.738155 5.696575 5.65675 5.616489 5.574999 5.532204 5.488018 5.442349 5.395093 5.346136 5.29535 5.242595 5.187711 5.130518 5.070815 5.00837 4.94292 4.874161 4.80174 4.725244 4.644189 4.557996 4.46597 4.367262 4.260826 4.145349 4.01915 3.880034 3.725052 3.550111 3.349302 3.113624 2.82837 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.48513e-10 7.916594e-10 7.564239e-10 7.308233000000001e-10 7.107044e-10 6.941287000000001e-10 6.800331e-10 6.677711000000001e-10 6.569202e-10 6.471888e-10 6.383673e-10 6.303001e-10 6.228683e-10 6.159790000000001e-10 6.095584e-10 6.035468e-10 5.978952e-10 5.925628e-10 5.875156e-10 5.827245999999999e-10 5.78165e-10 5.738155e-10 5.696575e-10 5.65675e-10 5.616489e-10 5.574999000000001e-10 5.532204e-10 5.488018000000001e-10 5.442349e-10 5.395093e-10 5.346136000000001e-10 5.29535e-10 5.242595e-10 5.187711e-10 5.130518000000001e-10 5.070814999999999e-10 5.008370000000001e-10 4.94292e-10 4.874161000000001e-10 4.801739999999999e-10 4.725244e-10 4.644189e-10 4.5579960000000005e-10 4.4659700000000007e-10 4.3672620000000003e-10 4.260826e-10 4.145349000000001e-10 4.01915e-10 3.8800340000000005e-10 3.725052e-10 3.550111e-10 3.349302e-10 3.1136240000000004e-10 2.82837e-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 0 0.0347966 0.605779 1.50655 2.35419 2.94709 3.22623 3.32933 3.41941 3.49831 3.56711 3.62674 3.67797 3.72147 3.75783 3.78755 3.81108 3.82881 3.8411 3.84827 3.8506 3.8481 3.84004 3.82544 3.80317 3.77187 3.7299 3.67533 3.6058 3.51847 3.40986 3.2757 3.11072 2.90835 2.66032 2.35617 1.98246 1.52176 0.951209 0.240334 -0.652125 -1.98248 -7.86223 -14.511 -20.9678 -26.891 -34.6987 -51.98 -76.5903 -110.432 -181.443 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.5750299462644394e-21 9.705649591678858e-20 2.4137592079527e-19 3.7718282099964597e-19 4.72175873629506e-19 5.16899032190982e-19 5.334174732875219e-19 5.47849880406594e-19 5.604910540488539e-19 5.715140292907739e-19 5.81067808559316e-19 5.89275759455298e-19 5.96245227813198e-19 6.020707420544219e-19 6.0683241101067e-19 6.10602332630472e-19 6.13442991802554e-19 6.1541206688574e-19 6.165608275323179e-19 6.169341346880399e-19 6.165335905295399e-19 6.15242236162536e-19 6.129030582768959e-19 6.09335010912978e-19 6.043201980485579e-19 5.9759586271566e-19 5.88852784823922e-19 5.777128506877199e-19 5.63721042142998e-19 5.46319801721124e-19 5.2482499999938e-19 4.98392289891648e-19 4.659690413493899e-19 4.2623025429628797e-19 3.77500051973178e-19 3.17625108983964e-19 2.43812831455584e-19 1.524004833850506e-19 3.85057519155756e-20 -1.0448194374472499e-19 -3.17628313337232e-19 -1.2596681197133819e-18 -2.3249185135974e-18 -3.35941192263852e-18 -4.3084131864893996e-18 -5.55934463701758e-18 -8.328114143531999e-18 -1.227111890510502e-17 -1.76931570045888e-17 -2.90703735002862e-17 ] } }