{ "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" [ 4.30241 4.014132 3.835469 3.70566 3.603647 3.519599 3.448127 3.385952 3.330932 3.281588 3.236859 3.195954 3.158271 3.123338 3.090783 3.0603 3.031644 3.004606 2.979014 2.954721 2.931601 2.909546 2.888464 2.86827 2.847855 2.826818 2.805118 2.782714 2.759557 2.735596 2.710772 2.685021 2.658271 2.630442 2.601442 2.57117 2.539507 2.50632 2.471455 2.434734 2.395947 2.354848 2.311143 2.264481 2.21443 2.160462 2.101909 2.037919 1.96738 1.888796 1.800091 1.69827 1.578769 1.43413 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30241e-10 4.014132e-10 3.835469e-10 3.70566e-10 3.6036470000000003e-10 3.519599e-10 3.448127e-10 3.385952e-10 3.3309319999999997e-10 3.281588e-10 3.236859e-10 3.195954e-10 3.1582710000000004e-10 3.123338e-10 3.090783e-10 3.0603e-10 3.031644e-10 3.004606e-10 2.979014e-10 2.954721e-10 2.9316010000000003e-10 2.9095460000000003e-10 2.888464e-10 2.86827e-10 2.847855e-10 2.826818e-10 2.805118e-10 2.782714e-10 2.759557e-10 2.735596e-10 2.710772e-10 2.685021e-10 2.658271e-10 2.630442e-10 2.601442e-10 2.57117e-10 2.539507e-10 2.50632e-10 2.4714550000000003e-10 2.4347340000000004e-10 2.395947e-10 2.3548480000000003e-10 2.311143e-10 2.264481e-10 2.21443e-10 2.160462e-10 2.101909e-10 2.037919e-10 1.96738e-10 1.888796e-10 1.800091e-10 1.69827e-10 1.5787690000000002e-10 1.43413e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.910137 1.39807 1.75433 2.02764 2.24563 2.4282 2.58491 2.72077 2.83946 2.94378 3.03552 3.11566 3.18511 3.24499 3.29658 3.34099 3.37902 3.41114 3.43764 3.45878 3.47478 3.4859 3.49237 3.49447 3.49221 3.48485 3.47138 3.4506 3.42104 3.38096 3.32819 3.26005 3.17314 3.06321 2.92488 2.75133 2.53384 2.26106 1.91765 1.48236 0.925976 0.209667 -0.715749 -1.91386 -3.47622 -5.54747 -8.35785 -12.2654 -17.8625 -26.1485 -39.0069 -60.4334 -99.6295 -182.997 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.458200235138858e-19 2.2399550866963797e-19 2.8107465343252197e-19 3.2486374301637597e-19 3.5978959146094196e-19 3.8904053026788e-19 4.1414824029929393e-19 4.35915412048818e-19 4.54931646517764e-19 4.716455531636519e-19 4.86343921603968e-19 4.99183765148844e-19 5.10310881871974e-19 5.199047155563659e-19 5.28170344811172e-19 5.35285611242766e-19 5.41378688981868e-19 5.46524880330276e-19 5.507706484103759e-19 5.54157649814652e-19 5.567211324290519e-19 5.5850275284606e-19 5.59539361128258e-19 5.59875818221398e-19 5.595137263021139e-19 5.583345242994899e-19 5.56176392373492e-19 5.5284706932804e-19 5.48111035197936e-19 5.41689511248864e-19 5.33234825151246e-19 5.2231759356717e-19 5.08393076441076e-19 4.90780348703514e-19 4.68617439325392e-19 4.408116638423219e-19 4.05965924229456e-19 3.6226175000720397e-19 3.0724140221901e-19 2.3750025551762396e-19 1.483577110844784e-19 3.3592356832087794e-20 -1.146756323608866e-19 -3.06634177274724e-19 -5.56951845864348e-19 -8.88802681181598e-19 -1.3390751980476898e-18 -1.9651337286663597e-18 -2.8618880124825e-18 -4.1894515714148996e-18 -6.2495943744774595e-18 -9.68249813931756e-18 -1.59624056957103e-17 -2.93193517492098e-17 ] } }