{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 3.969 3.703062 3.538245 3.418496 3.324388 3.246854 3.18092 3.123564 3.072807 3.027288 2.986025 2.94829 2.913527 2.881302 2.851269 2.823149 2.796713 2.77177 2.748161 2.725751 2.704423 2.684078 2.664629 2.646 2.627167 2.60776 2.587742 2.567074 2.545712 2.523608 2.500707 2.476952 2.452275 2.426603 2.39985 2.371924 2.342715 2.3121 2.279937 2.246061 2.21028 2.172366 2.132048 2.089002 2.04283 1.993044 1.939029 1.879998 1.814925 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.969e-10 3.703062e-10 3.538245e-10 3.4184960000000004e-10 3.324388e-10 3.246854e-10 3.18092e-10 3.1235640000000004e-10 3.072807e-10 3.0272880000000003e-10 2.986025e-10 2.94829e-10 2.913527e-10 2.881302e-10 2.8512689999999997e-10 2.823149e-10 2.7967130000000003e-10 2.77177e-10 2.7481610000000004e-10 2.725751e-10 2.704423e-10 2.6840780000000003e-10 2.664629e-10 2.646e-10 2.6271670000000003e-10 2.60776e-10 2.587742e-10 2.567074e-10 2.545712e-10 2.523608e-10 2.500707e-10 2.476952e-10 2.452275e-10 2.426603e-10 2.3998499999999997e-10 2.371924e-10 2.342715e-10 2.3121000000000002e-10 2.279937e-10 2.246061e-10 2.2102800000000002e-10 2.172366e-10 2.1320480000000003e-10 2.0890019999999998e-10 2.04283e-10 1.993044e-10 1.939029e-10 1.879998e-10 1.814925e-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" [ -6.46551 -7.15244 -5.1133 -0.960614 4.82955 11.9597 20.3993 30.2693 41.7133 54.8408 69.7094 86.3981 104.856 125.161 147.2 170.952 196.572 223.991 253.353 284.498 317.485 352.385 386.107 401.719 377.254 280.993 69.9343 -313.94 -946.749 -1933.41 -3395.21 -5475.83 -8382.32 -12307.5 -16792.3 -21709.4 -27134.1 -33148 -39867.7 -47414.6 -55928.9 -65597 -76624.9 -89276.1 -103940 -121202 -141978 -167625 -200117 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.0358889048893339e-18 -1.145947224408696e-18 -8.192409782632199e-19 -1.5390733050932758e-19 7.7377921627346995e-19 1.91615518896498e-18 3.2683281809956198e-18 4.84967651875362e-18 6.683207458703219e-18 8.78646483498672e-18 1.116867718501596e-17 1.3842501704199539e-17 1.6799783313470397e-17 2.0053002968807398e-17 2.3584040052479997e-17 2.7389529993556798e-17 3.1494306529864796e-17 3.58873146426294e-17 4.05916256753802e-17 4.5581604801973196e-17 5.0866704864549e-17 5.6458301317209e-17 6.18611613623838e-17 6.43624795233846e-17 6.04427543883036e-17 4.5020041891756195e-17 1.1204710137514618e-17 -5.0298733247796e-17 -1.5168591260628658e-16 -3.09766432594194e-16 -5.43972612952314e-16 -8.77324687775622e-16 -1.3429957242710879e-15 -1.9718788922955e-15 -2.69042306911182e-15 -3.47822934181596e-15 -4.34736210046194e-15 -5.3108951063831994e-15 -6.387509739132179e-15 -7.596656423045639e-15 -8.96079767453226e-15 -1.0509798066049799e-14 -1.2276662436258659e-14 -1.430360813946474e-14 -1.6653023933796e-14 -1.94187012394068e-14 -2.27473834142052e-14 -2.6856485827425e-14 -3.20622781466178e-14 ] } }