Model name? Sim_LAMMPS_Buckingham_PotashnikovBoyarchenkovNekrasov_2011_PuUO__SM_422015835006_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_cI2_229_a" }, "stoichiometric-species": { "source-value": [ "U" ] }, "a": { "source-value": 3.7679, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cI2_229_a" }, "short-name": { "source-value": "Body-Centered Cubic" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_186724200639_000" ] ] }, "duplicate_reference_data": [ "RD_747385219283_000", "RD_042078693706_000", "RD_235046870945_000", "RD_105760180822_000" ] } ] Step Time Energy fmax LBFGSLineSearch: 0 21:31:15 -52.395189 49.237923 LBFGSLineSearch: 1 21:31:16 -52.395191 49.237910 LBFGSLineSearch: 2 21:31:16 -52.395191 49.237910 The minimization failed to converge. See kim-tools.log for more info