{ "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" [ "Md" "Md" "Md" "Md" "Md" "Md" "Md" "Md" ] } "a" { "source-value" [ 11.5412 10.767902 10.288643 9.940436 9.666787 9.441332 9.249609 9.082827 8.935237 8.802875 8.682889 8.573163 8.472078 8.378373 8.291044 8.209276 8.132405 8.059877 7.991227 7.926061 7.864043 7.804883 7.748329 7.69416 7.657283 7.618472 7.577511 7.53415 7.48809 7.438971 7.386358 7.329717 7.268379 7.201492 7.127955 7.046295 6.954493 6.849669 6.727507 6.581111 6.39843 6.15533 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.15412e-09 1.0767902e-09 1.0288643e-09 9.940436000000001e-10 9.666787e-10 9.441332e-10 9.249609e-10 9.082827e-10 8.935237000000001e-10 8.802875000000001e-10 8.682889e-10 8.573163e-10 8.472078e-10 8.378373e-10 8.291044e-10 8.209275999999999e-10 8.132405e-10 8.059877e-10 7.991227000000001e-10 7.926061e-10 7.864043e-10 7.804883e-10 7.748329e-10 7.694160000000001e-10 7.657283e-10 7.618471999999999e-10 7.577511e-10 7.53415e-10 7.48809e-10 7.438971e-10 7.386358000000001e-10 7.329717e-10 7.268379000000001e-10 7.201492e-10 7.127955000000001e-10 7.046295e-10 6.954493000000001e-10 6.849669e-10 6.727507e-10 6.581111000000001e-10 6.398430000000001e-10 6.155330000000001e-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" [ 0.234662 0.351743 0.454642 0.548952 0.637105 0.719683 0.797584 0.87081 0.939594 1.00407 1.06439 1.12066 1.17274 1.2206 1.26438 1.30402 1.33928 1.3701 1.39639 1.41807 1.43505 1.44723 1.45473 1.45726 1.45598 1.45169 1.44352 1.43034 1.41068 1.38245 1.34272 1.28745 1.21077 1.10393 0.953554 0.738387 0.422587 -0.0571408 -0.822806 -2.13488 -4.6355 -10.3303 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.7596997019016964e-20 5.635544111300544e-20 7.284167832337537e-20 8.795180603414017e-20 1.0207547359947841e-19 1.1530592769872064e-19 1.2778704379241472e-19 1.3951914231588481e-19 1.5053955398439553e-19 1.6086974796466561e-19 1.705340773413312e-19 1.795495251865728e-19 1.8789366102769918e-19 1.95561678334848e-19 2.0257600758071042e-19 2.089270357055616e-19 2.145763104705024e-19 2.19514218815808e-19 2.2372634115189124e-19 2.271998600657856e-19 2.29920355967904e-19 2.3187180709203844e-19 2.330734395576384e-19 2.3347879024270083e-19 2.3327371163523843e-19 2.325863778649152e-19 2.312773995657216e-19 2.291657307795072e-19 2.260158515430144e-19 2.21492906942496e-19 2.1512745922805759e-19 2.0627222904489601e-19 1.939867387166016e-19 1.768690836999744e-19 1.5277619254703232e-19 1.1830263885026496e-19 6.770590116540096e-20 -9.154965385380864e-21 -1.318280536653965e-19 -3.420454824213504e-19 -7.426889725718401e-19 -1.655096514585024e-18 ] } }