Model name? Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "prototype-label": { "source-value": "A_cF240_202_h2i" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 14.9028, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.54695135, 0.26622863, 0.59565647, 0.79644753, 0.57883118, 0.67452263, 0.34523288, 0.048719901 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_424537021663_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 6.636371212143674 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 00:02:16 -439.531129 8.431132 LBFGSLineSearch: 1 00:02:18 -450.753460 1.091727 LBFGSLineSearch: 2 00:02:20 -450.959307 1.198544 LBFGSLineSearch: 3 00:02:22 -451.161187 0.656234 LBFGSLineSearch: 4 00:02:28 -451.180701 0.243748 LBFGSLineSearch: 5 00:02:31 -451.191726 0.052217 LBFGSLineSearch: 6 00:02:35 -451.192478 0.072155 LBFGSLineSearch: 7 00:02:40 -451.193192 0.105202 LBFGSLineSearch: 8 00:02:45 -451.195337 0.141764 LBFGSLineSearch: 9 00:02:49 -451.209528 0.152538 LBFGSLineSearch: 10 00:02:54 -451.212729 0.105339 LBFGSLineSearch: 11 00:02:59 -451.228087 0.204363 LBFGSLineSearch: 12 00:03:03 -451.272732 0.268756 LBFGSLineSearch: 13 00:03:08 -451.366122 0.385418 LBFGSLineSearch: 14 00:03:16 -451.533165 0.515024 LBFGSLineSearch: 15 00:03:24 -451.730083 0.516918 LBFGSLineSearch: 16 00:03:28 -451.920561 0.383236 LBFGSLineSearch: 17 00:03:31 -451.966855 0.095516 LBFGSLineSearch: 18 00:03:34 -451.976946 0.047300 LBFGSLineSearch: 19 00:03:38 -451.978096 0.021789 LBFGSLineSearch: 20 00:03:43 -451.978834 0.039290 LBFGSLineSearch: 21 00:03:46 -451.979715 0.002863 LBFGSLineSearch: 22 00:03:49 -451.979717 0.000538 LBFGSLineSearch: 23 00:03:53 -451.979717 0.000032 LBFGSLineSearch: 24 00:03:57 -451.979717 0.000003