{ "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" [ 4.29893 4.010885 3.832366 3.702663 3.600732 3.516752 3.445338 3.383213 3.328238 3.278934 3.234241 3.193369 3.155716 3.120812 3.088283 3.057825 3.029191 3.002175 2.976604 2.952331 2.92923 2.907193 2.886127 2.86595 2.845552 2.824532 2.80285 2.780464 2.757326 2.733384 2.70858 2.682851 2.656123 2.628316 2.59934 2.569092 2.537455 2.504295 2.469459 2.432768 2.394012 2.352946 2.309278 2.262653 2.212644 2.158719 2.100214 2.036277 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2989300000000003e-10 4.010885e-10 3.832366e-10 3.702663e-10 3.600732e-10 3.516752e-10 3.445338e-10 3.3832130000000003e-10 3.328238e-10 3.278934e-10 3.234241e-10 3.193369e-10 3.155716e-10 3.120812e-10 3.0882830000000003e-10 3.0578249999999997e-10 3.029191e-10 3.002175e-10 2.976604e-10 2.9523310000000003e-10 2.9292300000000003e-10 2.907193e-10 2.8861270000000003e-10 2.8659500000000003e-10 2.845552e-10 2.8245320000000003e-10 2.80285e-10 2.780464e-10 2.757326e-10 2.733384e-10 2.70858e-10 2.682851e-10 2.6561230000000004e-10 2.628316e-10 2.5993400000000004e-10 2.569092e-10 2.537455e-10 2.504295e-10 2.469459e-10 2.4327679999999997e-10 2.394012e-10 2.3529460000000004e-10 2.309278e-10 2.2626529999999999e-10 2.2126440000000003e-10 2.158719e-10 2.100214e-10 2.0362770000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0326485 0.266294 0.763753 1.31594 1.79105 2.18704 2.52709 2.82546 3.08735 3.31428 3.50766 3.67003 3.80477 3.91553 4.00577 4.0786 4.1367 4.18243 4.21786 4.24488 4.26508 4.27912 4.28733 4.29 4.28713 4.2779 4.26122 4.23578 4.20002 4.152 4.08937 4.00924 3.90798 3.78106 3.62281 3.4261 3.1819 2.87879 2.50204 2.03209 1.44186 0.691746 -0.278222 -1.55894 -3.28411 -5.64658 -8.92655 -13.5513 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.2308663835148995e-21 4.2665002457439595e-20 1.223667210747402e-19 2.10836831974596e-19 2.8695784603257e-19 3.5040243856233597e-19 4.0488445500150593e-19 4.52688599230164e-19 4.9464800309799e-19 5.31006197453352e-19 5.61989089201644e-19 5.88003631207902e-19 6.095913591744179e-19 6.27337067572602e-19 6.41795109517818e-19 6.534637619432399e-19 6.6277240818678e-19 6.700991619340619e-19 6.757756737483239e-19 6.80104755013392e-19 6.833411518140719e-19 6.855906078082079e-19 6.86905994824722e-19 6.87333775986e-19 6.86873951292042e-19 6.853951422588599e-19 6.827227116333479e-19 6.78646774276452e-19 6.72917390633268e-19 6.652237384368e-19 6.551893061780579e-19 6.42351064809816e-19 6.261274242139319e-19 6.0579259837520395e-19 5.804381531421539e-19 5.4892173657474e-19 5.0979658317246e-19 4.61233007219286e-19 4.0087100253333596e-19 3.25576711618506e-19 2.3101144014992395e-19 1.1082992778629638e-19 -4.4576078746474803e-20 -2.4976972418079596e-19 -5.26172430548574e-19 -9.046818538011719e-19 -1.43019098322327e-18 -2.1711576220324198e-18 ] } }