{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.52006 5.150196 4.920968 4.754423 4.623538 4.515704 4.424004 4.344233 4.273641 4.210333 4.152944 4.100463 4.052114 4.007296 3.965526 3.926418 3.88965 3.854961 3.822126 3.790957 3.761294 3.732998 3.705949 3.68004 3.662402 3.643839 3.624248 3.603509 3.581478 3.557985 3.532821 3.50573 3.476392 3.444401 3.409229 3.370171 3.326263 3.276127 3.217697 3.147678 3.060303 2.94403 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.52006e-10 5.150196e-10 4.920968e-10 4.754423e-10 4.6235380000000003e-10 4.5157040000000005e-10 4.424004e-10 4.344233e-10 4.2736409999999997e-10 4.2103330000000006e-10 4.152944e-10 4.1004630000000006e-10 4.0521140000000007e-10 4.0072960000000005e-10 3.9655260000000004e-10 3.926418e-10 3.88965e-10 3.854961e-10 3.822126e-10 3.7909570000000004e-10 3.761294e-10 3.732998e-10 3.705949e-10 3.68004e-10 3.6624020000000003e-10 3.643839e-10 3.624248e-10 3.603509e-10 3.581478e-10 3.557985e-10 3.5328210000000004e-10 3.50573e-10 3.476392e-10 3.4444010000000003e-10 3.409229e-10 3.370171e-10 3.3262630000000003e-10 3.276127e-10 3.2176969999999997e-10 3.147678e-10 3.060303e-10 2.94403e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.108247 0.747051 1.33219 1.82735 2.25038 2.60555 2.90107 3.14685 3.35228 3.52457 3.66925 3.7907 3.89238 3.97712 4.04728 4.10482 4.15135 4.18822 4.21658 4.23739 4.25143 4.25935 4.26184 4.26068 4.25698 4.25029 4.24009 4.22575 4.20644 4.18114 4.14852 4.10648 4.05115 3.97666 3.87363 3.72798 3.51835 3.20528 2.70896 1.86041 0.256617 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.734308126717376e-20 1.1969076467452609e-19 2.1344036724635522e-19 2.92773744801888e-19 3.605506223915904e-19 4.1745512943254403e-19 4.648026529304256e-19 5.041809499164481e-19 5.370944642375425e-19 5.646983652373057e-19 5.8787865658704e-19 6.073370916466561e-19 6.236280235269505e-19 6.372048682116096e-19 6.484457393831424e-19 6.576646636592257e-19 6.65119591475808e-19 6.710268166766977e-19 6.755705895732865e-19 6.789047191211713e-19 6.811541750967745e-19 6.824230989804481e-19 6.828220409590273e-19 6.826361884710144e-19 6.820433831213185e-19 6.809715269620032e-19 6.793373068087873e-19 6.7703978553456e-19 6.739459824797952e-19 6.698924756291713e-19 6.646661754921217e-19 6.579306249782785e-19 6.49065781735392e-19 6.371311680870528e-19 6.206239423629504e-19 5.972882398809985e-19 5.63701811379168e-19 5.135424679117824e-19 4.340232378682368e-19 2.980705407102528e-19 4.111457578998336e-20 ] } }