{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.36557 7.805047 7.457657 7.205259 7.006905 6.843484 6.704515 6.583623 6.476643 6.3807 6.293729 6.214194 6.140923 6.073001 6.0097 5.950431 5.894711 5.842139 5.792378 5.745143 5.70019 5.657307 5.616314 5.57705 5.537356 5.496451 5.454258 5.410695 5.36567 5.319079 5.270812 5.220742 5.16873 5.114619 5.058232 4.99937 4.937805 4.873278 4.805487 4.734086 4.658669 4.578756 4.493777 4.403047 4.30573 4.200793 4.086943 3.962523 3.825367 3.672568 3.500092 3.302112 3.069755 2.78852 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.36557e-10 7.805047e-10 7.457657000000001e-10 7.205259e-10 7.006905e-10 6.843484e-10 6.704515e-10 6.583623e-10 6.476643e-10 6.3807e-10 6.293729000000001e-10 6.214194e-10 6.140923e-10 6.073001e-10 6.009699999999999e-10 5.950431e-10 5.894711000000001e-10 5.842139000000001e-10 5.792378000000001e-10 5.745142999999999e-10 5.700190000000001e-10 5.657307000000001e-10 5.616314e-10 5.57705e-10 5.537356e-10 5.496451e-10 5.454258000000001e-10 5.410695e-10 5.36567e-10 5.319079e-10 5.270812000000001e-10 5.220742e-10 5.16873e-10 5.114619e-10 5.058232e-10 4.99937e-10 4.937805e-10 4.873278e-10 4.805487000000001e-10 4.734086e-10 4.658669e-10 4.578756e-10 4.493777e-10 4.403047e-10 4.3057299999999997e-10 4.200793e-10 4.086943e-10 3.962523e-10 3.825367e-10 3.672568e-10 3.500092e-10 3.302112e-10 3.0697549999999997e-10 2.7885200000000004e-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" [ 0.827819 1.0426 1.19294 1.31025 1.40671 1.48836 1.55872 1.62004 1.67383 1.72121 1.76299 1.79984 1.83225 1.86064 1.88537 1.90673 1.92495 1.94024 1.95279 1.96278 1.97034 1.97561 1.97869 1.9797 1.97861 1.9751 1.9687 1.9589 1.94505 1.92639 1.90197 1.87068 1.83112 1.78159 1.71997 1.64362 1.54921 1.43253 1.28814 1.10902 0.885939 0.606634 0.254532 -0.193112 -0.768141 -1.51612 -2.5039 -3.83254 -5.66026 -8.24544 -12.0324 -17.8364 -27.2849 -44.0171 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.326312258981246e-19 1.6704293586083998e-19 1.9113005937639597e-19 2.0992519346984996e-19 2.25379789281414e-19 2.38461561498024e-19 2.49734476294848e-19 2.59559023414536e-19 2.6817713152882195e-19 2.75768244420714e-19 2.8246213839756597e-19 2.88366159293856e-19 2.9355881376464996e-19 2.98107393228576e-19 3.02069576044458e-19 3.05491825334682e-19 3.0841099116182997e-19 3.10860719235216e-19 3.1287145091088597e-19 3.1447202536825196e-19 3.15683270903556e-19 3.16527617989674e-19 3.1702108839294597e-19 3.1718290823298e-19 3.1700827097987397e-19 3.1644590698134e-19 3.1542051393558e-19 3.1385038083426e-19 3.1163136619616996e-19 3.08641704597126e-19 3.0472918925689797e-19 2.9971597856911196e-19 2.9337776780500797e-19 2.85442186936806e-19 2.75569574518098e-19 2.63336955917508e-19 2.48210806315914e-19 2.29516609350402e-19 2.06382780932076e-19 1.7768459306386797e-19 1.419430764949326e-19 9.719348201899559e-20 4.078052230052879e-20 -3.09399534145008e-20 -1.230697561817394e-19 -2.42909203834008e-19 -4.011690073872599e-19 -6.14040603687036e-19 -9.06873631436484e-19 -1.3210651305048959e-18 -1.92780301309416e-18 -2.85770633146776e-18 -4.37152292410266e-18 -7.05231691164414e-18 ] } }