{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.07578 5.66868 5.416376 5.233064 5.089002 4.970312 4.869381 4.781579 4.703881 4.634199 4.571033 4.513268 4.460052 4.410722 4.364747 4.321701 4.281233 4.24305 4.20691 4.172603 4.139954 4.10881 4.079037 4.05052 4.031107 4.010675 3.989112 3.966285 3.942037 3.916179 3.888481 3.858663 3.826372 3.791161 3.752448 3.709459 3.661131 3.605947 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.07578e-10 5.66868e-10 5.416376e-10 5.233064e-10 5.089002e-10 4.970312e-10 4.869381e-10 4.781579e-10 4.703881e-10 4.634199e-10 4.571033e-10 4.5132680000000005e-10 4.460052e-10 4.410722e-10 4.3647470000000004e-10 4.321701e-10 4.2812330000000003e-10 4.24305e-10 4.20691e-10 4.1726029999999996e-10 4.1399540000000005e-10 4.1088100000000004e-10 4.079037e-10 4.05052e-10 4.0311070000000003e-10 4.010675e-10 3.989112e-10 3.9662850000000004e-10 3.9420370000000004e-10 3.9161790000000004e-10 3.888481e-10 3.858663e-10 3.826372e-10 3.791161e-10 3.7524479999999997e-10 3.709459e-10 3.6611310000000005e-10 3.605947e-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" [ 0.730174 1.10689 1.41935 1.68947 1.92768 2.14007 2.33066 2.50229 2.65708 2.79667 2.92237 3.03526 3.13622 3.226 3.30526 3.37456 3.43439 3.48518 3.52733 3.56118 3.58705 3.60521 3.61594 3.61947 3.61774 3.61203 3.60137 3.58453 3.55989 3.52535 3.47809 3.41429 3.32866 3.21367 3.05836 2.84619 2.55116 2.1303 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1698677119160193e-19 1.773433279797312e-19 2.27404938673248e-19 2.706829335542976e-19 3.088483828383744e-19 3.428770120875456e-19 3.734128963033728e-19 4.009110536461632e-19 4.2571114555952647e-19 4.480759290092736e-19 4.682152891327296e-19 4.863022610049408e-19 5.024778361685376e-19 5.168621778700801e-19 5.295610297665409e-19 5.406641137486848e-19 5.502499364709313e-19 5.583873915279744e-19 5.651405659846464e-19 5.705639338460544e-19 5.7470876476406405e-19 5.776183175074369e-19 5.793374530215552e-19 5.799030213686977e-19 5.796258448132992e-19 5.787110019628225e-19 5.770030816850497e-19 5.743050162556224e-19 5.703572530619712e-19 5.64823335013728e-19 5.572514483038272e-19 5.470295614631232e-19 5.333101230592129e-19 5.148866940966336e-19 4.900032889989888e-19 4.560099076354752e-19 4.0874089079201283e-19 3.4131168552902404e-19 ] } }