{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pb" "Pb" ] } "a" { "source-value" [ 5.89016 5.495497 5.2509 5.073188 4.933528 4.818463 4.720615 4.635496 4.560171 4.492618 4.431382 4.375381 4.323791 4.275968 4.231398 4.189667 4.150434 4.113419 4.078382 4.045124 4.013472 3.983279 3.954416 3.92677 3.90795 3.888142 3.867238 3.845108 3.821601 3.796533 3.769682 3.740775 3.70947 3.675335 3.637804 3.596129 3.549277 3.49578 3.433433 3.35872 3.265487 3.14142 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.89016e-10 5.495497e-10 5.2509e-10 5.073188e-10 4.933528e-10 4.818463e-10 4.720615e-10 4.635496e-10 4.5601710000000005e-10 4.492618e-10 4.4313820000000003e-10 4.3753810000000004e-10 4.3237910000000003e-10 4.275968e-10 4.2313980000000004e-10 4.1896670000000004e-10 4.150434e-10 4.1134190000000004e-10 4.0783820000000006e-10 4.045124000000001e-10 4.0134720000000005e-10 3.983279e-10 3.954416e-10 3.92677e-10 3.90795e-10 3.888142e-10 3.867238e-10 3.8451080000000005e-10 3.821601e-10 3.7965330000000005e-10 3.769682e-10 3.7407750000000005e-10 3.70947e-10 3.675335e-10 3.6378040000000003e-10 3.596129e-10 3.549277e-10 3.49578e-10 3.433433e-10 3.35872e-10 3.2654869999999997e-10 3.1414200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.334282 0.531329 0.739509 0.894562 1.03181 1.15435 1.26428 1.36317 1.4522 1.53233 1.60431 1.66878 1.72629 1.7773 1.8222 1.86134 1.89504 1.92357 1.94717 1.96607 1.98048 1.99056 1.9965 1.99845 1.9975 1.99437 1.98852 1.9793 1.96586 1.94707 1.92143 1.88694 1.84083 1.77917 1.6963 1.58372 1.4282 1.20806 0.885495 0.388689 -0.435959 -1.98176 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.35578809566788e-20 8.51282908766586e-20 1.1848240404327058e-19 1.4332463340643078e-19 1.6531418727275397e-19 1.8494725974578999e-19 2.02559987483352e-19 2.1840391221697797e-19 2.3266809078948e-19 2.45506332157722e-19 2.5703879956925395e-19 2.6736803232865195e-19 2.76582150150786e-19 2.8475485316082e-19 2.9194862624747997e-19 2.98219545592956e-19 3.0361888084953597e-19 3.0818989078633797e-19 3.11971027642578e-19 3.14999141480838e-19 3.1730787801043197e-19 3.18922872057504e-19 3.1987456497809996e-19 3.2018698942173e-19 3.200347826415e-19 3.19533301355058e-19 3.1859602802416797e-19 3.1711882116762e-19 3.14965495771524e-19 3.11955005876238e-19 3.0784702498666196e-19 3.0232111777599597e-19 2.9493348131662196e-19 2.85054460191378e-19 2.7177722242542e-19 2.5373991787984797e-19 2.2882286686787997e-19 1.9355255044700398e-19 1.41871939852383e-19 6.227484336928259e-20 -6.98483323182006e-20 -3.1751295661958395e-19 ] } }