{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.3978 4.103132 3.920508 3.787823 3.683548 3.597637 3.52458 3.461027 3.404787 3.35435 3.308629 3.266818 3.228299 3.192592 3.159315 3.128157 3.098865 3.071228 3.045068 3.020237 2.996605 2.974061 2.952511 2.93187 2.911003 2.889499 2.867318 2.844417 2.820747 2.796254 2.77088 2.744558 2.717215 2.688768 2.659126 2.628182 2.595817 2.561894 2.526257 2.488721 2.449074 2.407063 2.36239 2.314692 2.263532 2.208367 2.148516 2.083108 2.011004 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3978000000000006e-10 4.103132e-10 3.920508e-10 3.787823e-10 3.683548e-10 3.5976370000000005e-10 3.5245799999999997e-10 3.461027e-10 3.404787e-10 3.3543500000000004e-10 3.308629e-10 3.2668180000000006e-10 3.228299e-10 3.192592e-10 3.159315e-10 3.128157e-10 3.098865e-10 3.0712280000000003e-10 3.0450680000000003e-10 3.020237e-10 2.9966050000000003e-10 2.974061e-10 2.952511e-10 2.93187e-10 2.911003e-10 2.889499e-10 2.867318e-10 2.8444170000000003e-10 2.820747e-10 2.796254e-10 2.77088e-10 2.744558e-10 2.717215e-10 2.688768e-10 2.659126e-10 2.6281819999999997e-10 2.5958169999999997e-10 2.5618940000000004e-10 2.526257e-10 2.488721e-10 2.449074e-10 2.407063e-10 2.36239e-10 2.314692e-10 2.263532e-10 2.2083670000000002e-10 2.148516e-10 2.0831080000000002e-10 2.0110039999999998e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.755275 1.2168 1.55029 1.81323 2.03285 2.22374 2.39235 2.54189 2.67478 2.79331 2.89977 2.99609 3.08351 3.16256 3.23322 3.29523 3.34843 3.39289 3.42892 3.45702 3.47777 3.49181 3.49975 3.50224 3.49972 3.49192 3.47859 3.45957 3.43492 3.40502 3.37032 3.32904 3.27945 3.2191 3.14425 3.04954 2.92792 2.7704 2.56566 2.29936 1.95317 1.50322 0.918136 0.156255 -0.839142 -2.15048 -3.904 -6.29445 -9.65033 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.21008395724435e-19 1.9495285282512002e-19 2.4838384139238596e-19 2.9051147380678194e-19 3.2569847704268996e-19 3.5628242680911597e-19 3.8329672703498997e-19 4.07255676419826e-19 4.28547001709052e-19 4.47537601351854e-19 4.64594373797418e-19 4.80026539136106e-19 4.940327672705339e-19 5.06697973562304e-19 5.18018953658148e-19 5.27954050965582e-19 5.364776306584619e-19 5.436009079732259e-19 5.49373550385528e-19 5.538756667270679e-19 5.57200183242618e-19 5.59449639236754e-19 5.6072176748415e-19 5.61120709466016e-19 5.60716960954248e-19 5.594672631797279e-19 5.57331561726606e-19 5.542842217687379e-19 5.50334856365928e-19 5.45544348230268e-19 5.399847953102879e-19 5.3337101016513595e-19 5.2542581623713e-19 5.157566802509399e-19 5.0376438814545e-19 4.88590173244836e-19 4.69104501022128e-19 4.438670146833599e-19 4.1106405027884393e-19 3.6839808651542397e-19 3.12932333622978e-19 2.40842395976148e-19 1.4710160460342238e-19 2.5034810994567e-20 -1.344453705008028e-19 -3.4454488078843197e-19 -6.254897579136e-19 -1.00848207138813e-18 -1.546153323638922e-18 ] } }