{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 8.81829 8.227432 7.861242 7.595185 7.386097 7.213832 7.067341 6.939907 6.827137 6.726002 6.634324 6.550485 6.473249 6.401651 6.334924 6.272448 6.213713 6.158295 6.105841 6.05605 6.008664 5.963461 5.920249 5.87886 5.837018 5.793899 5.749424 5.703503 5.656041 5.606929 5.55605 5.503271 5.448444 5.391405 5.331967 5.269919 5.205023 5.137003 5.065544 4.99028 4.910781 4.826543 4.736966 4.641326 4.538743 4.428128 4.308117 4.176964 4.032386 3.871318 3.689509 3.480815 3.235884 2.93943 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.818289999999999e-10 8.227432000000001e-10 7.861242e-10 7.595185e-10 7.386097000000001e-10 7.213832e-10 7.067341e-10 6.939907e-10 6.827137e-10 6.726002000000001e-10 6.634324000000001e-10 6.550485000000001e-10 6.473249e-10 6.401651000000001e-10 6.334924e-10 6.272448e-10 6.213713000000001e-10 6.158295e-10 6.105841e-10 6.05605e-10 6.008664e-10 5.963461e-10 5.920249e-10 5.878860000000001e-10 5.837018e-10 5.793899e-10 5.749424e-10 5.703503000000001e-10 5.656041000000001e-10 5.606929e-10 5.55605e-10 5.503271e-10 5.448444e-10 5.391405e-10 5.331967e-10 5.269919e-10 5.205023e-10 5.137003e-10 5.065544e-10 4.990280000000001e-10 4.910781e-10 4.826543e-10 4.736966e-10 4.6413260000000003e-10 4.5387430000000003e-10 4.428128e-10 4.3081170000000006e-10 4.176964e-10 4.032386e-10 3.8713180000000004e-10 3.6895090000000003e-10 3.480815e-10 3.235884e-10 2.9394300000000005e-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" [ 1.44013 1.18273 1.24809 1.57383 1.93904 2.16743 2.27724 2.31537 2.3283 2.3516 2.39304 2.44528 2.50528 2.5856 2.69337 2.82089 2.95156 3.06679 3.16131 3.23759 3.29707 3.33841 3.36162 3.36854 3.36227 3.3445 3.3167 3.27874 3.22997 3.17058 3.09848 3.00753 2.88864 2.72877 2.51013 2.20767 1.78149 1.16545 0.271215 -0.340983 -1.06674 -2.02224 -3.25591 -4.80422 -6.69953 -8.96781 -11.6469 -14.7795 -18.7763 -23.8326 -30.8291 -41.3045 -58.1466 -94.7563 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3073426359224195e-19 1.89494237033082e-19 1.9996606351290597e-19 2.52155365188822e-19 3.10668458039136e-19 3.47260570183062e-19 3.64854071801016e-19 3.70963171306458e-19 3.7303478569421997e-19 3.7676785725143994e-19 3.8340727722273597e-19 3.9177704795875195e-19 4.0139010776275197e-19 4.1425879048703998e-19 4.3152544807165796e-19 4.51956404508426e-19 4.72892046584904e-19 4.91353927938486e-19 5.06497701483054e-19 5.18719104847206e-19 5.28248851466238e-19 5.34872249671194e-19 5.385909016387079e-19 5.396996078694359e-19 5.38695043119918e-19 5.358479752413e-19 5.3139392419878e-19 5.25312061696116e-19 5.174982462520979e-19 5.07982919222772e-19 4.964312256916319e-19 4.81859429205402e-19 4.62811151203776e-19 4.37197153356018e-19 4.02167163430242e-19 3.5370772895827793e-19 2.8542616517046596e-19 1.8672567580953e-19 4.3453433579031e-20 -5.46314995191222e-20 -1.70910590255316e-19 -3.2399856763401597e-19 -5.21654292440694e-19 -7.697209028595479e-19 -1.0733830424782019e-18 -1.436801564015154e-18 -1.86603910385346e-18 -2.3679369562202997e-18 -3.0082949132974197e-18 -3.81840348474684e-18 -4.939366366724939e-18 -6.617710477905299e-18 -9.316112386654439e-18 -1.5181632978429418e-17 ] } }