{ "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" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" ] } "a" { "source-value" [ 11.6932 10.909707 10.424129 10.071331 9.794075 9.565647 9.371397 9.202416 9.05288 8.918772 8.797205 8.686032 8.583615 8.488674 8.400193 8.317348 8.239463 8.165979 8.096423 8.030399 7.967563 7.907623 7.850323 7.79544 7.758077 7.718755 7.677256 7.633324 7.586657 7.536891 7.483586 7.426199 7.364053 7.296286 7.22178 7.139045 7.046035 6.939831 6.81606 6.667737 6.48265 6.23635 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.16932e-09 1.0909707e-09 1.0424129e-09 1.0071331000000002e-09 9.794075e-10 9.565647000000001e-10 9.371397e-10 9.202416e-10 9.052880000000001e-10 8.918772000000001e-10 8.797205e-10 8.686032000000001e-10 8.583615e-10 8.488674e-10 8.400193e-10 8.317348000000002e-10 8.239463000000001e-10 8.165979e-10 8.096423e-10 8.030398999999999e-10 7.967563e-10 7.907623000000001e-10 7.850323e-10 7.79544e-10 7.758077e-10 7.718755e-10 7.677256e-10 7.633324e-10 7.586657e-10 7.536891e-10 7.483586000000001e-10 7.426199e-10 7.364053e-10 7.296286000000001e-10 7.22178e-10 7.139045000000001e-10 7.046035e-10 6.939831e-10 6.816060000000001e-10 6.667737e-10 6.482649999999999e-10 6.23635e-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" [ 1.15525 1.56522 1.86463 2.12761 2.34777 2.52091 2.65162 2.75215 2.83276 2.89981 2.95707 3.00677 3.05017 3.08806 3.12096 3.14923 3.17317 3.19303 3.20906 3.2215 3.23058 3.23659 3.23989 3.2409 3.24046 3.23909 3.23674 3.23338 3.2289 3.22288 3.21509 3.20522 3.19282 3.17722 3.15755 3.13307 3.10315 3.06669 3.02017 2.95158 2.82048 2.50841 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8509145564285e-19 2.50775891106948e-19 2.98746661705542e-19 3.4088070282647394e-19 3.76154223600618e-19 4.03894309841694e-19 4.2483636062470795e-19 4.409430423263099e-19 4.53858188172984e-19 4.64600782503954e-19 4.737748459102379e-19 4.81737663781218e-19 4.88691110372778e-19 4.94761757639004e-19 5.00032918764864e-19 5.04562272109182e-19 5.083978829709779e-19 5.11579805766102e-19 5.14148094910404e-19 5.161412026430999e-19 5.175959790267719e-19 5.18558887183806e-19 5.190876054730259e-19 5.1924942531306e-19 5.19178929541164e-19 5.18959431342306e-19 5.18582919833316e-19 5.180445884842919e-19 5.1732681335226e-19 5.16362303018592e-19 5.151142074207059e-19 5.13532859082948e-19 5.11546160056788e-19 5.09046764507748e-19 5.0589528306867e-19 5.01973154668638e-19 4.9717944217971e-19 4.91337906172146e-19 4.83884580470778e-19 4.728952509381719e-19 4.51890715266432e-19 4.0189158904919396e-19 ] } }