{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.29577 4.007938 3.829552 3.699944 3.598088 3.514171 3.442809 3.380731 3.325796 3.276529 3.231868 3.191027 3.153402 3.118523 3.086018 3.055583 3.026971 2.999975 2.974422 2.950167 2.927083 2.905063 2.884012 2.86385 2.850124 2.835678 2.820432 2.804293 2.787148 2.768866 2.749283 2.7282 2.705369 2.680474 2.653102 2.622707 2.588538 2.549521 2.504051 2.449561 2.381565 2.29108 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29577e-10 4.0079380000000004e-10 3.829552e-10 3.699944e-10 3.5980880000000005e-10 3.514171e-10 3.442809e-10 3.380731e-10 3.3257960000000003e-10 3.276529e-10 3.231868e-10 3.191027e-10 3.153402e-10 3.118523e-10 3.086018e-10 3.055583e-10 3.026971e-10 2.9999750000000003e-10 2.9744220000000004e-10 2.950167e-10 2.9270830000000004e-10 2.905063e-10 2.884012e-10 2.86385e-10 2.850124e-10 2.835678e-10 2.820432e-10 2.804293e-10 2.7871480000000004e-10 2.768866e-10 2.7492830000000003e-10 2.7282000000000005e-10 2.705369e-10 2.6804739999999997e-10 2.653102e-10 2.6227070000000003e-10 2.588538e-10 2.549521e-10 2.504051e-10 2.449561e-10 2.381565e-10 2.29108e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.24405 1.72048 2.08427 2.38156 2.63242 2.84819 3.03604 3.20074 3.34601 3.47445 3.58793 3.68808 3.77621 3.85349 3.92077 3.97881 4.02834 4.06994 4.10412 4.13129 4.15185 4.16615 4.17451 4.17724 4.17592 4.17156 4.16346 4.15075 4.13233 4.10674 4.07203 4.02555 3.9637 3.88145 3.77161 3.62342 3.42018 3.1349 2.72033 2.08771 1.04895 -0.874599 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9931878251062402e-19 2.7565128325539844e-19 3.3393686654348165e-19 3.815679753032448e-19 4.2176017801263367e-19 4.563303429596352e-19 4.864272307813632e-19 5.128150797259392e-19 5.360898994963009e-19 5.566682560138561e-19 5.748497563066945e-19 5.908955551640064e-19 6.050155377231168e-19 6.1739715864865925e-19 6.281766029534016e-19 6.374756360605249e-19 6.454112168633473e-19 6.520762716058752e-19 6.575525112957696e-19 6.6190562517448325e-19 6.65199700306848e-19 6.67490812874592e-19 6.688302325295808e-19 6.692676267470593e-19 6.690561394331135e-19 6.683575904264449e-19 6.670598273635968e-19 6.650234608785601e-19 6.620722515430464e-19 6.579722815704193e-19 6.524111265196224e-19 6.449642095861441e-19 6.35054747186496e-19 6.218768444804161e-19 6.042785364775488e-19 5.805358811339137e-19 5.479732434927745e-19 5.02266348854592e-19 4.358449126860865e-19 3.344880153010368e-19 1.6806031663881603e-19 -1.4012620703750593e-19 ] } }