element(s): ['Li'] AFLOW prototype label: A_oP6_51_ak Parameter names: ['a', 'b/a', 'c/a', 'y2', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8644', '1.0712434', '0.49788555', '0.30413694', '0.51007836'] model name: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li', 'Li'] representative atom coordinates = [[0. 0. 0. ] [0.25 0.30413694 0.51007836]] spacegroup = 51 cell = [[5.8644, 0, 0], [0, 6.2822, 0], [0, 0, 2.9198]] ========================================= Step Time Energy fmax BFGS: 0 21:29:07 -9.363430 0.771452 BFGS: 1 21:29:07 -9.380312 0.759869 BFGS: 2 21:29:07 -9.452971 0.708041 BFGS: 3 21:29:07 -9.519513 0.657458 BFGS: 4 21:29:07 -9.580195 0.608191 BFGS: 5 21:29:07 -9.635268 0.560292 BFGS: 6 21:29:07 -9.684974 0.513794 BFGS: 7 21:29:07 -9.729548 0.468715 BFGS: 8 21:29:07 -9.769216 0.425061 BFGS: 9 21:29:07 -9.804201 0.382825 BFGS: 10 21:29:07 -9.834720 0.341993 BFGS: 11 21:29:07 -9.860984 0.302546 BFGS: 12 21:29:07 -9.883205 0.264466 BFGS: 13 21:29:07 -9.901592 0.227734 BFGS: 14 21:29:07 -9.916360 0.192340 BFGS: 15 21:29:07 -9.927730 0.158277 BFGS: 16 21:29:07 -9.935950 0.125555 BFGS: 17 21:29:07 -9.941317 0.099258 BFGS: 18 21:29:07 -9.944279 0.097799 BFGS: 19 21:29:07 -9.945572 0.093629 BFGS: 20 21:29:07 -9.947551 0.083295 BFGS: 21 21:29:07 -9.951656 0.080697 BFGS: 22 21:29:07 -9.956396 0.069680 BFGS: 23 21:29:07 -9.959062 0.047544 BFGS: 24 21:29:07 -9.959643 0.036913 BFGS: 25 21:29:07 -9.959803 0.042567 BFGS: 26 21:29:07 -9.959949 0.045805 BFGS: 27 21:29:07 -9.960323 0.050202 BFGS: 28 21:29:07 -9.961204 0.054761 BFGS: 29 21:29:07 -9.963106 0.055788 BFGS: 30 21:29:07 -9.965564 0.047352 BFGS: 31 21:29:07 -9.967416 0.035083 BFGS: 32 21:29:07 -9.968803 0.020981 BFGS: 33 21:29:07 -9.969564 0.005911 BFGS: 34 21:29:07 -9.969642 0.003407 BFGS: 35 21:29:07 -9.969645 0.003264 BFGS: 36 21:29:07 -9.969646 0.003217 BFGS: 37 21:29:07 -9.969648 0.003152 BFGS: 38 21:29:07 -9.969654 0.003007 BFGS: 39 21:29:07 -9.969665 0.002727 BFGS: 40 21:29:07 -9.969685 0.002208 BFGS: 41 21:29:07 -9.969707 0.001424 BFGS: 42 21:29:07 -9.969718 0.000707 BFGS: 43 21:29:07 -9.969720 0.000244 BFGS: 44 21:29:07 -9.969720 0.000159 BFGS: 45 21:29:07 -9.969720 0.000150 BFGS: 46 21:29:07 -9.969720 0.000146 BFGS: 47 21:29:07 -9.969720 0.000136 BFGS: 48 21:29:07 -9.969720 0.000119 BFGS: 49 21:29:07 -9.969720 0.000078 BFGS: 50 21:29:07 -9.969720 0.000044 BFGS: 51 21:29:07 -9.969720 0.000017 BFGS: 52 21:29:07 -9.969720 0.000007 BFGS: 53 21:29:07 -9.969720 0.000001 BFGS: 54 21:29:08 -9.969720 0.000000 BFGS: 55 21:29:08 -9.969720 0.000000 Minimization converged after 55 steps. Maximum force component: 1.126416541049266e-09 eV/Angstrom Maximum stress component: 3.188473454630062e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0. 0. ] [0.25 0.2967815 0.5 ] [0.25 0.7032185 0.5 ] [0.75 0.2967815 0.5 ] [0.75 0.7032185 0.5 ]] cellpar = Cell([[6.266530382867904, 2.3680896896846147e-36, 0.0], [-4.9511680456812414e-36, 7.508637199456031, 0.0], [0.0, 0.0, 3.13326519061044]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.68153860e-46 -2.55011811e-10 -1.12641654e-09] [-1.68153860e-46 2.55011811e-10 -1.12641654e-09] [ 1.68153860e-46 -2.55011811e-10 1.12641654e-09] [-1.68153860e-46 2.55011811e-10 1.12641654e-09]] stress = [-5.65204353e-12 2.06073726e-11 -3.18847345e-11 0.00000000e+00 0.00000000e+00 -2.32360314e-47] energy per atom = -1.6616199470276778 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oP6_51_ak, while relaxed is A_tP3_123_ah. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.