element(s): ['Li'] AFLOW prototype label: A_cI16_220_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.8469', '0.24794728'] model name: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0.24794728 0.24794728 0.24794728]] spacegroup = 220 cell = [[6.8469, 0, 0], [0, 6.8469, 0], [0, 0, 6.8469]] ========================================= Step Time Energy fmax BFGS: 0 17:42:08 -26.349310 0.1276 BFGS: 1 17:42:08 -26.352764 0.1274 BFGS: 2 17:42:08 -26.467888 0.1711 BFGS: 3 17:42:08 -26.586218 0.1499 BFGS: 4 17:42:08 -26.637978 0.1689 BFGS: 5 17:42:08 -26.660048 0.1765 BFGS: 6 17:42:08 -26.692655 0.1781 BFGS: 7 17:42:08 -26.732443 0.1720 BFGS: 8 17:42:08 -26.770903 0.1620 BFGS: 9 17:42:08 -26.800508 0.1507 BFGS: 10 17:42:08 -26.819102 0.1389 BFGS: 11 17:42:08 -26.826673 0.1265 BFGS: 12 17:42:08 -26.827804 0.1236 BFGS: 13 17:42:08 -26.833406 0.1113 BFGS: 14 17:42:08 -26.841999 0.0952 BFGS: 15 17:42:08 -26.852848 0.0782 BFGS: 16 17:42:08 -26.865490 0.0608 BFGS: 17 17:42:08 -26.878822 0.0427 BFGS: 18 17:42:08 -26.891100 0.0242 BFGS: 19 17:42:08 -26.899797 0.0109 BFGS: 20 17:42:08 -26.901569 0.0039 BFGS: 21 17:42:08 -26.901681 0.0025 BFGS: 22 17:42:08 -26.901722 0.0002 BFGS: 23 17:42:08 -26.901722 0.0000 BFGS: 24 17:42:08 -26.901722 0.0000 BFGS: 25 17:42:08 -26.901722 0.0000 BFGS: 26 17:42:08 -26.901722 0.0000 Minimization converged after 26 steps. Maximum force component: 9.051461209061478e-12 eV/Angstrom Maximum stress component: 2.3618560312106157e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li'] basis = [[0.21803832 0.21803832 0.21803832] [0.28196168 0.78196168 0.71803832] [0.78196168 0.71803832 0.28196168] [0.71803832 0.28196168 0.78196168] [0.46803832 0.46803832 0.46803832] [0.03196168 0.53196168 0.96803832] [0.96803832 0.03196168 0.53196168] [0.53196168 0.96803832 0.03196168] [0.71803832 0.71803832 0.71803832] [0.78196168 0.28196168 0.21803832] [0.28196168 0.21803832 0.78196168] [0.21803832 0.78196168 0.28196168] [0.96803832 0.96803832 0.96803832] [0.53196168 0.03196168 0.46803832] [0.46803832 0.53196168 0.03196168] [0.03196168 0.46803832 0.53196168]] cellpar = Cell([[7.206075916290165, 1.4647649810481485e-32, 6.227171663509734e-35], [-2.4011632161198274e-33, 7.206075916290164, 4.683003450681294e-18], [5.410215693439309e-35, 4.683003450681296e-18, 7.206075916290165]]) forces = [[ 9.05146121e-12 9.05146121e-12 9.05146121e-12] [-9.05146121e-12 -9.05146121e-12 9.05146121e-12] [-9.05146121e-12 9.05146121e-12 -9.05146121e-12] [ 9.05146121e-12 -9.05146121e-12 -9.05146121e-12] [ 9.05146121e-12 9.05146121e-12 9.05146121e-12] [-9.05146121e-12 -9.05146121e-12 9.05146121e-12] [ 9.05146121e-12 -9.05146121e-12 -9.05146121e-12] [-9.05146121e-12 9.05146121e-12 -9.05146121e-12] [ 9.05146121e-12 9.05146121e-12 9.05146121e-12] [-9.05146121e-12 -9.05146121e-12 9.05146121e-12] [-9.05146121e-12 9.05146121e-12 -9.05146121e-12] [ 9.05146121e-12 -9.05146121e-12 -9.05146121e-12] [ 9.05146121e-12 9.05146121e-12 9.05146121e-12] [-9.05146121e-12 -9.05146121e-12 9.05146121e-12] [ 9.05146121e-12 -9.05146121e-12 -9.05146121e-12] [-9.05146121e-12 9.05146121e-12 -9.05146121e-12]] stress = [-2.36185603e-12 -2.36185603e-12 -2.36185603e-12 1.92642182e-30 4.94517376e-36 1.94425481e-53] energy per atom = -1.6813576128386525 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0