{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 7.66083 7.147526 6.829401 6.598266 6.416622 6.266968 6.139705 6.028997 5.931029 5.843169 5.763524 5.690689 5.623591 5.561391 5.503423 5.449147 5.398121 5.349978 5.304409 5.261153 5.219986 5.180716 5.143176 5.10722 5.082742 5.05698 5.029791 5.001009 4.970435 4.937831 4.902908 4.865311 4.824596 4.780199 4.731386 4.677182 4.616246 4.546666 4.465578 4.368404 4.247144 4.08578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.66083e-10 7.147526e-10 6.829401000000001e-10 6.598266e-10 6.416622e-10 6.266968e-10 6.139705000000001e-10 6.028997000000001e-10 5.931028999999999e-10 5.843168999999999e-10 5.763524e-10 5.690689e-10 5.623591e-10 5.561391e-10 5.503423e-10 5.449147e-10 5.398121e-10 5.349978e-10 5.304409e-10 5.261153e-10 5.219986e-10 5.180716e-10 5.143176000000001e-10 5.10722e-10 5.082741999999999e-10 5.05698e-10 5.029791000000001e-10 5.001009e-10 4.970435000000001e-10 4.937831e-10 4.902908e-10 4.865311e-10 4.824596e-10 4.780198999999999e-10 4.731386e-10 4.677182000000001e-10 4.616246e-10 4.5466660000000005e-10 4.465578e-10 4.368404e-10 4.247144e-10 4.08578e-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" [ 0.914112 1.60486 2.12332 2.49948 2.78489 3.01 3.19255 3.34346 3.46988 3.57673 3.66756 3.745 3.81106 3.86732 3.91503 3.95522 3.98873 4.01626 4.03842 4.0557 4.06854 4.07733 4.0824 4.08403 4.08326 4.08085 4.0763 4.06914 4.05881 4.04461 4.0256 4.00056 3.96779 3.92502 3.869 3.79505 3.6961 3.56099 3.37106 3.09249 2.66114 1.90156 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.464568887259008e-19 2.5712691928412395e-19 3.40193369050488e-19 4.00460845315032e-19 4.46188568626026e-19 4.822551668339999e-19 5.1150290128767e-19 5.356813488713639e-19 5.5593606587839195e-19 5.73055323212682e-19 5.876078935793039e-19 6.00015149433e-19 6.10599128277204e-19 6.19612974020088e-19 6.272569587409019e-19 6.33696106632948e-19 6.390650005334819e-19 6.434757928068839e-19 6.47026216227828e-19 6.497947774513799e-19 6.518519722494359e-19 6.532602855107219e-19 6.5407258906416e-19 6.54333743855502e-19 6.542103762546839e-19 6.5382425168589e-19 6.5309526131742e-19 6.519481028474759e-19 6.50293054384554e-19 6.4801796356427385e-19 6.4497222578304e-19 6.40960375491504e-19 6.357100426618859e-19 6.28857533198268e-19 6.1988213969459995e-19 6.0803404348616995e-19 5.9218050569274e-19 5.70533497190766e-19 5.401033563812039e-19 4.95471521887866e-19 4.26361632780276e-19 3.0466350001490396e-19 ] } }