{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.23791 4.886951 4.66944 4.511407 4.387212 4.28489 4.197877 4.122183 4.0552 3.995128 3.940672 3.890873 3.844996 3.802469 3.762834 3.725724 3.690837 3.65792 3.626763 3.597188 3.569041 3.542191 3.516524 3.49194 3.475204 3.457589 3.439 3.41932 3.398416 3.376124 3.352246 3.32654 3.298701 3.268345 3.234971 3.19791 3.156246 3.108672 3.053229 2.986789 2.90388 2.79355 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.23791e-10 4.886951e-10 4.66944e-10 4.511407e-10 4.387212e-10 4.28489e-10 4.1978770000000005e-10 4.122183e-10 4.0552e-10 3.995128e-10 3.9406720000000005e-10 3.890873e-10 3.8449960000000004e-10 3.802469e-10 3.762834e-10 3.7257240000000003e-10 3.690837e-10 3.65792e-10 3.626763e-10 3.597188e-10 3.569041e-10 3.542191e-10 3.516524e-10 3.49194e-10 3.4752040000000003e-10 3.457589e-10 3.439e-10 3.41932e-10 3.3984160000000003e-10 3.3761240000000003e-10 3.352246e-10 3.32654e-10 3.298701e-10 3.2683450000000004e-10 3.234971e-10 3.19791e-10 3.156246e-10 3.108672e-10 3.0532290000000003e-10 2.986789e-10 2.90388e-10 2.79355e-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" [ 1.27814 1.80626 2.20993 2.54526 2.81869 3.0509 3.25067 3.42377 3.57436 3.7056 3.82009 3.92034 4.01042 4.09618 4.17605 4.24222 4.29501 4.33756 4.37176 4.3986 4.41874 4.43266 4.44076 4.44338 4.44212 4.43797 4.4303 4.41838 4.40115 4.37741 4.34572 4.30449 4.25197 4.18429 4.09259 3.96599 3.79184 3.54958 3.20329 2.68916 1.8996 0.468819 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0478060261093123e-19 2.893947543086208e-19 3.540698179604544e-19 4.077956065857408e-19 4.516039219282752e-19 4.88808065239872e-19 5.208147475935937e-19 5.485484248996416e-19 5.726756026322688e-19 5.93702568603648e-19 6.120458887351873e-19 6.281077093587072e-19 6.425401163588736e-19 6.562803830588545e-19 6.69076967729184e-19 6.796785704290176e-19 6.881364608102209e-19 6.949537223317248e-19 7.004331663748609e-19 7.047334084250881e-19 7.079601921393792e-19 7.101904219955329e-19 7.114881850583809e-19 7.119079553330305e-19 7.117060810788096e-19 7.110411777811776e-19 7.09812308313024e-19 7.079025137810305e-19 7.051419634633921e-19 7.0133839616561285e-19 6.962610984542976e-19 6.896553242467393e-19 6.812406926342976e-19 6.703971612647232e-19 6.557052016519873e-19 6.354216456326592e-19 6.075197397814272e-19 5.687054089659265e-19 5.132236347642433e-19 4.3085092815905284e-19 3.04349470887168e-19 7.511308411868352e-20 ] } }