{ "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" [ "Mn" "Mn" ] } "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" [ 0.773311 1.15739 1.49574 1.80559 2.09365 2.36405 2.61841 2.85754 3.08219 3.29283 3.48997 3.67344 3.84323 3.99971 4.14289 4.2725 4.38785 4.48872 4.57485 4.64595 4.7018 4.74228 4.76682 4.77507 4.77091 4.75693 4.73042 4.6877 4.62382 4.53203 4.40285 4.22303 3.97346 3.6257 3.13626 2.43544 1.40701 -0.154975 -2.64893 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2389808048074688e-19 1.854343199147712e-19 2.3964396587953924e-19 2.892874084750272e-19 3.3543970821379197e-19 3.7876256404022404e-19 4.195155285668928e-19 4.578283781000832e-19 4.938212758863553e-19 5.275695242268864e-19 5.5915483412933765e-19 5.885499685911552e-19 6.157533254357185e-19 6.408241851979968e-19 6.637641500546113e-19 6.845299612368e-19 7.030110685577281e-19 7.191722241317376e-19 7.32971771366688e-19 7.44363247140576e-19 7.533114035677441e-19 7.597970145287424e-19 7.637287559561857e-19 7.650505516683457e-19 7.643840461940928e-19 7.621442032782144e-19 7.578968330564736e-19 7.510523345324161e-19 7.408176302787457e-19 7.261112510764224e-19 7.054143334889281e-19 6.766039934937024e-19 6.366184715683969e-19 5.809011774034561e-19 5.024842448750209e-19 3.902005029361152e-19 2.254278527231808e-19 -2.4829732180848e-20 -4.244053716135744e-19 ] } }