{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 4.81365 4.491118 4.291225 4.145992 4.031857 3.937822 3.857858 3.788295 3.726737 3.67153 3.621486 3.575721 3.53356 3.494476 3.458052 3.423948 3.391886 3.361636 3.333003 3.305823 3.279956 3.255281 3.231693 3.2091 3.18626 3.162722 3.138444 3.113378 3.087469 3.060661 3.032887 3.004077 2.974148 2.943012 2.910567 2.876697 2.841272 2.804142 2.765134 2.72405 2.680654 2.634671 2.585773 2.533566 2.477569 2.417187 2.351677 2.280084 2.201163 2.113241 2.013996 1.900077 1.766376 1.60455 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.81365e-10 4.491118e-10 4.291225e-10 4.145992e-10 4.0318569999999995e-10 3.9378220000000004e-10 3.8578579999999997e-10 3.788295e-10 3.726737e-10 3.6715300000000005e-10 3.621486e-10 3.5757210000000004e-10 3.53356e-10 3.4944760000000003e-10 3.458052e-10 3.423948e-10 3.391886e-10 3.361636e-10 3.333003e-10 3.305823e-10 3.279956e-10 3.2552810000000003e-10 3.231693e-10 3.2091e-10 3.18626e-10 3.162722e-10 3.138444e-10 3.113378e-10 3.087469e-10 3.060661e-10 3.0328870000000004e-10 3.0040770000000004e-10 2.974148e-10 2.9430120000000003e-10 2.910567e-10 2.876697e-10 2.841272e-10 2.804142e-10 2.765134e-10 2.72405e-10 2.680654e-10 2.6346710000000003e-10 2.585773e-10 2.533566e-10 2.477569e-10 2.417187e-10 2.351677e-10 2.280084e-10 2.2011630000000002e-10 2.113241e-10 2.0139960000000002e-10 1.9000770000000001e-10 1.766376e-10 1.60455e-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" [ 2.97352 3.33096 3.61043 3.75398 3.75962 3.71371 3.72017 3.71372 3.9683 4.19548 4.39923 4.58331 4.75324 4.91014 5.05 5.17031 5.26985 5.3488 5.40833 5.45059 5.48523 5.51307 5.53126 5.53772 5.53002 5.50364 5.4527 5.37217 5.25861 5.10962 4.92111 4.68836 4.4057 4.06421 3.65406 3.17571 2.61667 1.96199 1.20081 0.344269 -0.592107 -1.59746 -2.66095 -3.80067 -5.1597 -6.68868 -8.58885 -11.189 -14.8312 -19.981 -27.9669 -41.1123 -64.6428 -112.248 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.76410426473168e-19 5.33678628078864e-19 5.78454658469262e-19 6.014539040503319e-19 6.023575316719079e-19 5.95001938745214e-19 5.960369448507779e-19 5.95003540921848e-19 6.357917536702199e-19 6.721900024414319e-19 7.04834351359182e-19 7.34327218837854e-19 7.61553006379416e-19 7.86691157766876e-19 8.090992001699999e-19 8.283749872536539e-19 8.443230534684899e-19 8.569722379939199e-19 8.66509995496122e-19 8.73280793951406e-19 8.788307338115819e-19 8.83291193560638e-19 8.86205552857884e-19 8.872405589634479e-19 8.86006882955268e-19 8.817803409947759e-19 8.736188532211799e-19 8.607165247875779e-19 8.425222069318739e-19 8.186513772619079e-19 7.884487455343739e-19 7.51158084378024e-19 7.0587095964138e-19 6.51158229766914e-19 5.85444955123404e-19 5.08804835836014e-19 4.19236753288878e-19 3.1434545341416598e-19 1.9239097238735399e-19 5.515797476105459e-20 -9.486600002278381e-20 -2.55941308574964e-19 -4.2633119142423e-19 -6.08934466754478e-19 -8.2667507784498e-19 -1.0716446808303118e-18 -1.37608547829309e-18 -1.7926754357825998e-18 -2.3762202094180798e-18 -3.2013091323954e-18 -4.480791370541459e-18 -6.586916642999819e-18 -1.0356918371633518e-17 -1.79841122813232e-17 ] } }