{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14332 7.597687 7.259526 7.013834 6.82075 6.66167 6.526392 6.408712 6.304574 6.21118 6.126519 6.049097 5.977773 5.911655 5.850036 5.792342 5.738102 5.686927 5.638488 5.592508 5.548748 5.507005 5.467101 5.42888 5.39024 5.350422 5.309351 5.266945 5.223116 5.177764 5.130779 5.082039 5.031409 4.978736 4.923847 4.866549 4.80662 4.743806 4.677817 4.608313 4.5349 4.45711 4.374389 4.28607 4.191338 4.08919 3.978365 3.85725 3.723739 3.574999 3.407106 3.214386 2.988203 2.71444 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.143319999999999e-10 7.597687e-10 7.259526000000001e-10 7.013834000000001e-10 6.82075e-10 6.661670000000001e-10 6.526392000000001e-10 6.408712000000001e-10 6.304574e-10 6.21118e-10 6.126519e-10 6.049097e-10 5.977773e-10 5.911654999999999e-10 5.850036000000001e-10 5.792342e-10 5.738102e-10 5.686927e-10 5.638488e-10 5.592508e-10 5.548748e-10 5.507005e-10 5.467101000000001e-10 5.428880000000001e-10 5.390240000000001e-10 5.350422e-10 5.309351e-10 5.266945e-10 5.223116e-10 5.177764e-10 5.130779000000001e-10 5.082039000000001e-10 5.031409000000001e-10 4.978736e-10 4.923847000000001e-10 4.866549e-10 4.80662e-10 4.743806000000001e-10 4.677817e-10 4.608313e-10 4.5349000000000005e-10 4.45711e-10 4.374389e-10 4.2860699999999996e-10 4.191338e-10 4.0891900000000006e-10 3.978365e-10 3.8572500000000003e-10 3.7237390000000003e-10 3.5749990000000003e-10 3.4071060000000004e-10 3.2143860000000005e-10 2.988203e-10 2.7144400000000003e-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 0 0 0 0.00492814 0.646109 1.78623 2.82564 3.53844 3.89937 4.02664 4.13059 4.22163 4.30103 4.36984 4.42898 4.47921 4.5212 4.55553 4.58271 4.60321 4.61743 4.62572 4.62841 4.62552 4.61618 4.59927 4.57345 4.53714 4.48843 4.42505 4.34423 4.24264 4.11619 3.95984 3.76737 3.531 3.24095 2.88475 2.4464 1.90511 1.23345 0.394813 -0.660574 -2.00163 -6.62885 -13.3787 -19.7085 -25.8252 -33.8899 -49.6299 -73.2152 -107.523 -176.797 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 7.895750757080759e-22 1.035180742817106e-19 2.86185596894982e-19 4.527174384095759e-19 5.669205888810959e-19 6.247479501320579e-19 6.45138852152976e-19 6.61793478263406e-19 6.76379694339342e-19 6.89100976813302e-19 7.001255542318559e-19 7.09600826845332e-19 7.176485600779139e-19 7.2437609976408e-19 7.298763721486019e-19 7.342310882398139e-19 7.375155503395139e-19 7.397938455130619e-19 7.41122049942648e-19 7.415530354571939e-19 7.410900064099679e-19 7.395935734338119e-19 7.368842927457179e-19 7.3274747267673e-19 7.269299693186759e-19 7.19125766934462e-19 7.089711714281699e-19 6.960223798721819e-19 6.7974586744737595e-19 6.594863439104459e-19 6.34436312237856e-19 6.035992185632579e-19 5.657285694654e-19 5.1925743619623e-19 4.6218790449315e-19 3.9195649174176e-19 3.05232272719974e-19 1.9762047692072997e-19 6.32560163399442e-20 -1.0583562278279159e-19 -3.20696481591342e-19 -1.06205885802909e-18 -2.14350405332958e-18 -3.1576498191188998e-18 -4.137653200837679e-18 -5.429760590859659e-18 -7.95158661277566e-18 -1.1730368269363678e-17 -1.72270838217582e-17 -2.83260022361298e-17 ] } }