{ "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" [ 0.351711 0.561672 0.739464 0.894516 1.03177 1.1543 1.26424 1.36313 1.45217 1.53229 1.60428 1.66876 1.72627 1.77728 1.82218 1.86132 1.89502 1.92355 1.94716 1.96606 1.98047 1.99055 1.99649 1.99844 1.99749 1.99435 1.98851 1.97929 1.96584 1.94705 1.92141 1.88692 1.8408 1.77914 1.69625 1.58366 1.42812 1.20796 0.885358 0.388492 -0.436257 -1.98226 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.635031414781888e-20 8.998977469579776e-20 1.1847519327232512e-19 1.433172622131533e-19 1.6530777720428162e-19 1.8493924733894402e-19 2.025535771080192e-19 2.183975017111104e-19 2.326632823427136e-19 2.454999214285632e-19 2.570339909217024e-19 2.673648257726208e-19 2.765789435188416e-19 2.847516464615424e-19 2.919454194889344e-19 2.9821633878274563e-19 3.036156739948416e-19 3.0818668389398403e-19 3.1196942289569283e-19 3.149975367090048e-19 3.173062732195776e-19 3.1892126725334405e-19 3.198729601660992e-19 3.201853846071552e-19 3.200331778281792e-19 3.19530094369248e-19 3.185944232227008e-19 3.171172163783232e-19 3.149622888233472e-19 3.11951798952864e-19 3.0784381809713284e-19 3.023179109319936e-19 2.94928672356864e-19 2.850496513130112e-19 2.717692093032e-19 2.5373030272961283e-19 2.2881004756968964e-19 1.935365270861568e-19 1.4184998886382465e-19 6.224327997678336e-20 -6.989607660603457e-20 -3.175930628347008e-19 ] } }