{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.78582 7.264142 6.940827 6.705921 6.521314 6.369218 6.239879 6.127365 6.027799 5.938505 5.857561 5.783538 5.715345 5.652131 5.593216 5.538055 5.486197 5.437268 5.390956 5.346994 5.305156 5.265245 5.227093 5.19055 5.153607 5.115536 5.076268 5.035724 4.993819 4.950457 4.905535 4.858935 4.810527 4.760166 4.707687 4.652905 4.595606 4.53555 4.472458 4.406005 4.335814 4.261439 4.18235 4.097907 4.007334 3.90967 3.80371 3.687913 3.560262 3.418052 3.257529 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.78582e-10 7.264142e-10 6.940827e-10 6.705921e-10 6.521314e-10 6.369218000000001e-10 6.239879000000001e-10 6.127365e-10 6.027799e-10 5.938505e-10 5.857560999999999e-10 5.783538e-10 5.715345000000001e-10 5.652131e-10 5.593216e-10 5.538055e-10 5.486197e-10 5.437268000000001e-10 5.390956000000001e-10 5.346993999999999e-10 5.305156000000001e-10 5.265245e-10 5.227093e-10 5.19055e-10 5.153607e-10 5.115536e-10 5.076267999999999e-10 5.035724e-10 4.993819000000001e-10 4.950457e-10 4.905535000000001e-10 4.858935e-10 4.810527e-10 4.760166e-10 4.707687e-10 4.6529049999999996e-10 4.5956060000000005e-10 4.53555e-10 4.472458e-10 4.4060050000000006e-10 4.335814e-10 4.2614390000000004e-10 4.1823499999999995e-10 4.0979070000000006e-10 4.007334e-10 3.90967e-10 3.80371e-10 3.6879130000000003e-10 3.560262e-10 3.418052e-10 3.257529e-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" [ 0.646703 0.869525 1.03864 1.18751 1.33265 1.47901 1.61875 1.74249 1.84735 1.93528 2.00958 2.07329 2.1288 2.17789 2.22183 2.26139 2.29689 2.32833 2.35546 2.37798 2.39559 2.40815 2.41562 2.41808 2.41543 2.40684 2.3913 2.36766 2.33456 2.29042 2.23338 2.1613 2.07188 1.96261 1.83084 1.67404 1.48991 1.2744 1.01984 0.717431 0.355065 -0.0836571 -0.62102 -1.28922 -2.13656 -3.23132 -4.66181 -6.54794 -9.09768 -12.7154 -18.143 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.036132435737702e-19 1.3931326376788498e-19 1.66408473913776e-19 1.90260077464134e-19 2.1351406913000996e-19 2.36963526345234e-19 2.5935234262874997e-19 2.7917767629786597e-19 2.9597810048199e-19 3.1006603962475196e-19 3.21970212015372e-19 3.32177679350586e-19 3.4107136184591997e-19 3.48936446942226e-19 3.55976411072022e-19 3.62314621836126e-19 3.6800234888682595e-19 3.7303959222412195e-19 3.7738629743216396e-19 3.80994399211932e-19 3.83815832264406e-19 3.8582816611670996e-19 3.87024992062308e-19 3.8741912751427194e-19 3.86994550706262e-19 3.8561828097765596e-19 3.8312849848842002e-19 3.7934095292564395e-19 3.74037748267104e-19 3.66965740604628e-19 3.5782692508429196e-19 3.4627843590642e-19 3.31951772445192e-19 3.14444788365474e-19 2.93332906859256e-19 2.68210777238136e-19 2.38709898876294e-19 2.0418139023695997e-19 1.6339638184185601e-19 1.149451184707254e-19 5.6887684655121e-20 -1.3403345088820139e-20 -9.9498373324668e-20 -2.06555816008548e-19 -3.423146509139039e-19 -5.17714540097688e-19 -7.46904305414754e-19 -1.0490956468833958e-18 -1.4576090319609119e-18 -2.03723167719636e-18 -2.9068290670662e-18 ] } }