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_cF4_225_a" }, "stoichiometric-species": { "source-value": [ "U" ] }, "a": { "source-value": 5.0848, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cF4_225_a" }, "short-name": { "source-value": "Face-Centered Cubic" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_489670212012_000" ] ] }, "duplicate_reference_data": [] } ] Step Time Energy fmax LBFGSLineSearch: 0 13:00:22 -48.914042 42.275873 LBFGSLineSearch: 1 13:00:23 -48.914045 42.275869 LBFGSLineSearch: 2 13:00:23 -48.914045 42.275869 The minimization failed to converge. See kim-tools.log for more info