{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.58986 4.282323 4.091724 3.953244 3.844415 3.754752 3.678505 3.612177 3.553481 3.500841 3.453123 3.409485 3.369285 3.332019 3.297288 3.264769 3.234198 3.205354 3.178052 3.152136 3.127472 3.103944 3.081453 3.05991 3.038131 3.015688 2.992539 2.968638 2.943934 2.918371 2.891889 2.864418 2.83588 2.806192 2.775255 2.742959 2.709181 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.58986e-10 4.282323e-10 4.0917240000000004e-10 3.9532440000000004e-10 3.8444150000000003e-10 3.754752e-10 3.678505e-10 3.612177e-10 3.5534810000000003e-10 3.500841e-10 3.4531230000000003e-10 3.4094850000000004e-10 3.3692850000000003e-10 3.332019e-10 3.297288e-10 3.264769e-10 3.2341980000000005e-10 3.205354e-10 3.1780520000000003e-10 3.152136e-10 3.127472e-10 3.103944e-10 3.081453e-10 3.05991e-10 3.038131e-10 3.015688e-10 2.992539e-10 2.968638e-10 2.943934e-10 2.918371e-10 2.891889e-10 2.864418e-10 2.83588e-10 2.806192e-10 2.7752550000000004e-10 2.742959e-10 2.709181e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.98106 2.965 3.83179 4.62556 5.3635 6.05621 6.70784 7.32043 7.89595 8.43555 8.94059 9.4106 9.84555 10.2464 10.6132 10.9453 11.2408 11.4992 11.7198 11.902 12.045 12.1488 12.2116 12.2327 12.2089 12.1293 11.9797 11.7414 11.3903 10.8955 10.2176 9.30478 8.08959 6.48182 4.36045 1.56403 -2.13415 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.17400804255204e-19 4.750453719809999e-19 6.139204404394859e-19 7.4109641511650395e-19 8.593274376459e-19 9.70311815259714e-19 1.074714451261056e-18 1.172862189683262e-18 1.26507065932323e-18 1.3515241104938697e-18 1.432440439217406e-18 1.50774434319204e-18 1.5774310158878698e-18 1.6416542662617598e-18 1.70042210519688e-18 1.75363039121202e-18 1.80097471074672e-18 1.8423749549692798e-18 1.8777189715153197e-18 1.9069106297867997e-18 1.9298217556529997e-18 1.94645234911392e-18 1.95651401837544e-18 1.95989461107318e-18 1.95608143068426e-18 1.94332810467762e-18 1.91935954223298e-18 1.88117967304476e-18 1.82492725142502e-18 1.7456515515747e-18 1.6370399975558398e-18 1.4907901100510518e-18 1.2960952076640057e-18 1.038502054979388e-18 6.9862111037253e-19 2.50585232087502e-19 -3.4192852634510996e-19 ] } }