{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "O" "O" "O" "O" ] } "a" { "source-value" [ 4.30218 4.013918 3.835265 3.705464 3.603456 3.519413 3.447944 3.385773 3.330756 3.281415 3.236688 3.195786 3.158104 3.123174 3.09062 3.06014 3.031485 3.004448 2.978857 2.954566 2.931447 2.909394 2.888312 2.86812 2.847706 2.82667 2.804972 2.782569 2.759413 2.735453 2.710631 2.684881 2.658133 2.630305 2.601307 2.571036 2.539375 2.50619 2.471328 2.434608 2.395823 2.354726 2.311024 2.264364 2.214317 2.160351 2.101801 2.037816 1.96728 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30218e-10 4.0139180000000005e-10 3.8352650000000004e-10 3.705464e-10 3.603456e-10 3.5194130000000003e-10 3.447944e-10 3.385773e-10 3.330756e-10 3.2814150000000003e-10 3.236688e-10 3.195786e-10 3.158104e-10 3.123174e-10 3.09062e-10 3.06014e-10 3.031485e-10 3.0044480000000003e-10 2.978857e-10 2.954566e-10 2.931447e-10 2.909394e-10 2.888312e-10 2.86812e-10 2.847706e-10 2.82667e-10 2.804972e-10 2.782569e-10 2.759413e-10 2.735453e-10 2.710631e-10 2.684881e-10 2.658133e-10 2.6303049999999997e-10 2.601307e-10 2.571036e-10 2.5393750000000003e-10 2.50619e-10 2.471328e-10 2.434608e-10 2.395823e-10 2.354726e-10 2.3110240000000002e-10 2.264364e-10 2.214317e-10 2.160351e-10 2.101801e-10 2.0378159999999999e-10 1.96728e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.47268 -0.825594 -1.15089 -1.45824 -1.71437 -1.90784 -2.05185 -2.14712 -2.19732 -2.20782 -2.1849 -2.13506 -2.06468 -1.97978 -1.88595 -1.78827 -1.69157 -1.60025 -1.51849 -1.45037 -1.39979 0.275371 0.464718 0.631236 0.123452 -0.473789 -1.11926 -3.20477 -3.7699 -4.38021 -5.0371 -5.74152 -6.4938 -7.29383 -8.14105 -9.03832 -9.98592 -10.9856 -12.0436 -13.1716 -14.3875 -15.7179 -17.1987 -18.8779 -20.818 -23.1049 -25.862 -29.2726 -33.6137 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.5731685135912e-20 -1.322747415970596e-19 -1.8439290663042598e-19 -2.33635805476416e-19 -2.74672355603058e-19 -3.05669666941056e-19 -3.2874261264729e-19 -3.44006549439408e-19 -3.5204947614208795e-19 -3.5373176160778797e-19 -3.5005957276265997e-19 -3.42074324418804e-19 -3.3079820526871197e-19 -3.17195725646052e-19 -3.0216250228923e-19 -2.8651244092831797e-19 -2.71019392877538e-19 -2.5638831585585e-19 -2.4328891969626597e-19 -2.3237489246545796e-19 -2.24271083050686e-19 4.4119298188121395e-20 7.44560320999212e-20 1.011351569739624e-19 1.9779190982056798e-20 -7.59093665246226e-20 -1.7932522193708397e-19 -5.13460761134418e-19 -6.040045692516599e-19 -7.017870114013139e-19 -8.070323923121399e-19 -9.19892918764368e-19 -1.04042146258692e-18 -1.168600399836822e-18 -1.30434000862257e-18 -1.448098511461488e-18 -1.599920769299328e-18 -1.76008716304704e-18 -1.92959745092424e-18 -2.1103229752394398e-18 -2.3051316321674996e-18 -2.5182852115548597e-18 -2.7555355275175797e-18 -3.02457302789886e-18 -3.3354113166612e-18 -3.70181309109066e-18 -4.1435492108508e-18 -4.68998757364284e-18 -5.38550847222858e-18 ] } }