{ "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" [ "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 7.61529 7.105037 6.788803 6.559042 6.378478 6.229713 6.103207 5.993158 5.895772 5.808434 5.729263 5.656861 5.590161 5.528331 5.470708 5.416754 5.366032 5.318175 5.272876 5.229878 5.188956 5.149919 5.112603 5.07686 5.052527 5.026918 4.999891 4.97128 4.940888 4.908478 4.873763 4.836389 4.795916 4.751782 4.703259 4.649378 4.588804 4.519637 4.439031 4.342434 4.221895 4.06149 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.61529e-10 7.105037e-10 6.788803e-10 6.559042e-10 6.378478e-10 6.229713000000001e-10 6.103207e-10 5.993158000000001e-10 5.895772e-10 5.808434e-10 5.729263000000001e-10 5.656861e-10 5.590161e-10 5.528331e-10 5.470708e-10 5.416754e-10 5.366032e-10 5.318175000000001e-10 5.272876e-10 5.229878000000001e-10 5.188956e-10 5.149919e-10 5.112603e-10 5.07686e-10 5.052527e-10 5.026918e-10 4.999891e-10 4.97128e-10 4.940888e-10 4.908477999999999e-10 4.873763000000001e-10 4.836389e-10 4.795916e-10 4.751782000000001e-10 4.703259e-10 4.6493779999999997e-10 4.588804e-10 4.5196370000000005e-10 4.439031e-10 4.342434e-10 4.221895e-10 4.0614900000000003e-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" [ 2.80702 3.36753 3.76636 4.13868 4.44191 4.65778 4.80913 4.9228 5.01329 5.0893 5.15475 5.21028 5.25708 5.29695 5.33168 5.36263 5.3907 5.41638 5.43979 5.46088 5.4794 5.49455 5.50483 5.50861 5.50652 5.49907 5.48419 5.45949 5.42275 5.37252 5.30931 5.23776 5.16799 5.07422 4.85826 4.46949 3.90374 3.16663 2.24718 1.00662 -1.01166 -10.3868 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.497341818118016e-19 5.395377835842624e-19 6.034373937516289e-19 6.630896336972544e-19 7.116724353697728e-19 7.462586220829824e-19 7.705075652387904e-19 7.88719506887424e-19 8.032176031290432e-19 8.15395747623744e-19 8.258819936068801e-19 8.347788803821824e-19 8.422770669675265e-19 8.48664945154656e-19 8.542293045586945e-19 8.591880412000705e-19 8.63685350974656e-19 8.677997405368705e-19 8.715504360061633e-19 8.749294264994304e-19 8.77896657601152e-19 8.803239551816641e-19 8.819709927478464e-19 8.82576615510509e-19 8.822417605967617e-19 8.810481390142655e-19 8.786641002025153e-19 8.747067239491392e-19 8.6882032704432e-19 8.607725938780416e-19 8.506452354579648e-19 8.3918166173614085e-19 8.280032754528192e-19 8.129796652795777e-19 7.7837905897678075e-19 7.160912384899393e-19 6.254480961681793e-19 5.073500552723904e-19 3.6003792587293446e-19 1.6127830300296963e-19 -1.620858000198528e-19 -1.664148812492544e-18 ] } }