Model name? MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001 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": "A3B5_oC16_65_ah_bej" }, "stoichiometric-species": { "source-value": [ "Al", "Ni" ] }, "a": { "source-value": 7.4432, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.87731083, 0.50173313, 0.71933153, 0.77797272 ] }, "library-prototype-label": { "source-value": "A3B5_oC16_65_ah_bej-001" }, "short-name": { "source-value": "Ga3Pt5" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_630670196626_000" ] ] }, "duplicate_reference_data": [ "RD_202224716729_000" ] } ] NOTE: The configuration you provided has a maximum force component 3.1327075016061903 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:24:11 -23.150242 6.584283 LBFGSLineSearch: 1 17:24:11 -29.732100 2.646275 LBFGSLineSearch: 2 17:24:11 -30.360777 2.080535 LBFGSLineSearch: 3 17:24:11 -30.645667 1.173366 LBFGSLineSearch: 4 17:24:11 -30.800180 0.613655 LBFGSLineSearch: 5 17:24:11 -30.960467 0.817339 LBFGSLineSearch: 6 17:24:11 -31.137176 1.486592 LBFGSLineSearch: 7 17:24:11 -31.316701 0.599278 LBFGSLineSearch: 8 17:24:11 -31.346607 0.091709 LBFGSLineSearch: 9 17:24:11 -31.348150 0.034566 LBFGSLineSearch: 10 17:24:11 -31.348492 0.031890 LBFGSLineSearch: 11 17:24:11 -31.348551 0.023527 LBFGSLineSearch: 12 17:24:11 -31.348576 0.019211 LBFGSLineSearch: 13 17:24:11 -31.349237 0.005935 LBFGSLineSearch: 14 17:24:11 -31.349278 0.003097 LBFGSLineSearch: 15 17:24:11 -31.349282 0.000328 LBFGSLineSearch: 16 17:24:11 -31.349282 0.000268 LBFGSLineSearch: 17 17:24:11 -31.349282 0.000302 LBFGSLineSearch: 18 17:24:11 -31.349283 0.000117 LBFGSLineSearch: 19 17:24:12 -31.349283 0.000010 LBFGSLineSearch: 20 17:24:12 -31.349347 0.003320 The minimization failed to converge. See kim-tools.log for more info