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 17:16:11 -9.363430 0.771452 BFGS: 1 17:16:11 -9.380312 0.759869 BFGS: 2 17:16:11 -9.452971 0.708041 BFGS: 3 17:16:11 -9.519513 0.657458 BFGS: 4 17:16:11 -9.580195 0.608191 BFGS: 5 17:16:11 -9.635268 0.560292 BFGS: 6 17:16:11 -9.684974 0.513794 BFGS: 7 17:16:11 -9.729548 0.468715 BFGS: 8 17:16:11 -9.769216 0.425061 BFGS: 9 17:16:11 -9.804201 0.382825 BFGS: 10 17:16:11 -9.834720 0.341993 BFGS: 11 17:16:11 -9.860984 0.302546 BFGS: 12 17:16:11 -9.883205 0.264466 BFGS: 13 17:16:12 -9.901592 0.227734 BFGS: 14 17:16:12 -9.916360 0.192340 BFGS: 15 17:16:12 -9.927730 0.158277 BFGS: 16 17:16:12 -9.935950 0.125555 BFGS: 17 17:16:12 -9.941317 0.099258 BFGS: 18 17:16:12 -9.944279 0.097799 BFGS: 19 17:16:12 -9.945572 0.093629 BFGS: 20 17:16:12 -9.947551 0.083295 BFGS: 21 17:16:12 -9.951656 0.080697 BFGS: 22 17:16:12 -9.956396 0.069680 BFGS: 23 17:16:12 -9.959062 0.047544 BFGS: 24 17:16:12 -9.959643 0.036913 BFGS: 25 17:16:12 -9.959803 0.042567 BFGS: 26 17:16:12 -9.959949 0.045805 BFGS: 27 17:16:12 -9.960323 0.050202 BFGS: 28 17:16:12 -9.961204 0.054761 BFGS: 29 17:16:12 -9.963106 0.055788 BFGS: 30 17:16:12 -9.965564 0.047352 BFGS: 31 17:16:12 -9.967416 0.035083 BFGS: 32 17:16:12 -9.968803 0.020981 BFGS: 33 17:16:12 -9.969564 0.005911 BFGS: 34 17:16:12 -9.969642 0.003407 BFGS: 35 17:16:12 -9.969645 0.003264 BFGS: 36 17:16:12 -9.969646 0.003217 BFGS: 37 17:16:12 -9.969648 0.003152 BFGS: 38 17:16:12 -9.969654 0.003007 BFGS: 39 17:16:12 -9.969665 0.002727 BFGS: 40 17:16:12 -9.969685 0.002208 BFGS: 41 17:16:12 -9.969707 0.001424 BFGS: 42 17:16:12 -9.969718 0.000707 BFGS: 43 17:16:12 -9.969720 0.000244 BFGS: 44 17:16:12 -9.969720 0.000159 BFGS: 45 17:16:12 -9.969720 0.000150 BFGS: 46 17:16:12 -9.969720 0.000146 BFGS: 47 17:16:12 -9.969720 0.000136 BFGS: 48 17:16:12 -9.969720 0.000119 BFGS: 49 17:16:12 -9.969720 0.000078 BFGS: 50 17:16:12 -9.969720 0.000044 BFGS: 51 17:16:12 -9.969720 0.000017 BFGS: 52 17:16:12 -9.969720 0.000007 BFGS: 53 17:16:12 -9.969720 0.000001 BFGS: 54 17:16:12 -9.969720 0.000000 BFGS: 55 17:16:12 -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 = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 4.44948371e-53 0.00000000e+00] [2.50000000e-01 2.96781501e-01 5.00000001e-01] [2.50000000e-01 7.03218499e-01 5.00000001e-01] [7.50000000e-01 2.96781501e-01 4.99999999e-01] [7.50000000e-01 7.03218499e-01 4.99999999e-01]] cellpar = Cell([[6.266530382867904, -2.4129903487428925e-36, 0.0], [-4.643574395087705e-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] [ 1.57707222e-46 -2.55011811e-10 -1.12641654e-09] [-1.57707222e-46 2.55011811e-10 -1.12641654e-09] [ 1.57707222e-46 -2.55011811e-10 1.12641654e-09] [-1.57707222e-46 2.55011811e-10 1.12641654e-09]] stress = [-5.65204353e-12 2.06073726e-11 -3.18847345e-11 0.00000000e+00 0.00000000e+00 -2.04654934e-36] 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.