{ "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 3.045244 3.029809 3.01352 2.996276 2.977958 2.958423 2.9375 2.914974 2.89058 2.86398 2.834735 2.802259 2.765751 2.724063 2.67548 ] "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 3.045244e-10 3.0298090000000005e-10 3.01352e-10 2.996276e-10 2.977958e-10 2.958423e-10 2.9375e-10 2.914974e-10 2.89058e-10 2.8639800000000005e-10 2.834735e-10 2.802259e-10 2.765751e-10 2.724063e-10 2.67548e-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 12.2221 12.1863 12.1184 12.0089 11.8453 11.6101 11.2792 10.8185 10.1792 9.2883 8.03446 6.23909 3.60447 -0.397015 -6.78602 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1740080164020483e-19 4.750453680672e-19 6.139204353815232e-19 7.410964090107648e-19 8.593274305660801e-19 9.703118072655168e-19 1.0747144424067073e-18 1.1728621800202944e-18 1.265070648900576e-18 1.351524099358944e-18 1.4324404274158273e-18 1.5077443307700481e-18 1.577431002891744e-18 1.641654252736512e-18 1.7004220911874562e-18 1.753630376764224e-18 1.800974695908864e-18 1.842374939790336e-18 1.877718956045184e-18 1.90691061407616e-18 1.9298217397536002e-18 1.946452333077504e-18 1.9565140022561284e-18 1.959894594926016e-18 1.958196287707968e-18 1.952460495405504e-18 1.941581716150272e-18 1.9240378821525122e-18 1.897826272636224e-18 1.860143078515008e-18 1.807127054132736e-18 1.73331477721248e-18 1.630887625844736e-18 1.488149710697664e-18 1.2872623972752768e-18 9.996124133067073e-19 5.774997564374976e-19 -6.360881511069121e-20 -1.0872402592281217e-18 ] } }