{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 9.60659 8.962912 8.563987 8.274146 8.046366 7.858701 7.699115 7.560289 7.437438 7.327262 7.227389 7.136055 7.051914 6.973916 6.901224 6.833163 6.769177 6.708805 6.651662 6.59742 6.545797 6.496554 6.449479 6.40439 6.373695 6.341389 6.307295 6.271202 6.232863 6.191978 6.148184 6.101038 6.049981 5.994307 5.933096 5.865125 5.788712 5.701459 5.599774 5.477919 5.32586 5.12351 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.606590000000002e-10 8.962912e-10 8.563987e-10 8.274146000000001e-10 8.046366000000001e-10 7.858701e-10 7.699115e-10 7.560289e-10 7.437438e-10 7.327262e-10 7.227389e-10 7.136055e-10 7.051914000000001e-10 6.973916e-10 6.901224e-10 6.833163e-10 6.769177000000001e-10 6.708805e-10 6.651662e-10 6.59742e-10 6.545797e-10 6.496554e-10 6.449479000000001e-10 6.40439e-10 6.373695e-10 6.341389000000001e-10 6.307295e-10 6.271202e-10 6.232863e-10 6.191978e-10 6.148184e-10 6.101038000000001e-10 6.049981e-10 5.994307e-10 5.933096e-10 5.865125e-10 5.788712000000001e-10 5.701459e-10 5.599774000000001e-10 5.477919e-10 5.32586e-10 5.12351e-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" [ 0.0188846 0.0283069 0.0365879 0.0441777 0.051272 0.0579177 0.064187 0.0700801 0.0756156 0.0808048 0.085659 0.0901878 0.0943789 0.0982305 0.101754 0.104944 0.107782 0.110262 0.112378 0.114123 0.115489 0.116469 0.117073 0.117277 0.117174 0.116829 0.116171 0.11511 0.113528 0.111256 0.108059 0.103611 0.0974391 0.0888412 0.0767392 0.059423 0.0340081 -0.00459969 -0.0662197 -0.171812 -0.373059 -0.83137 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0256464613159683e-21 4.535265338732352e-21 5.8620277984168324e-21 7.078047810071617e-21 8.21467997016576e-21 9.279438487050817e-21 1.028389107592896e-20 1.122806978033261e-20 1.211495464877645e-20 1.2946356140841984e-20 1.372408471611072e-20 1.4449678464138624e-20 1.5121166707682115e-20 1.573826105494944e-20 1.630278798728832e-20 1.681388232932352e-20 1.726858005430656e-20 1.7665919856264962e-20 1.8004940429226242e-20 1.828452024955584e-20 1.850337757595712e-20 1.866039088479552e-20 1.875716235269184e-20 1.8789846755756163e-20 1.877334433656192e-20 1.8718069243144322e-20 1.861264602149568e-20 1.84426550820288e-20 1.8189190740618242e-20 1.782517621237248e-20 1.731296034670272e-20 1.660031218577088e-20 1.561146479717933e-20 1.4233929360381697e-20 1.2294975213889535e-20 9.52061413377984e-21 5.448698273782848e-21 -7.369515780927553e-22 -1.0609565517638978e-20 -2.752731695728896e-20 -5.977064079790272e-20 -1.3320015772344962e-19 ] } }