element(s): ['N'] AFLOW prototype label: A_cI20_217_ce Parameter names: ['a', 'x1', 'x2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.878', '0.63332537', '0.28144238'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N', 'N'] representative atom coordinates = [[0.13332537 0.13332537 0.13332537] [0.28144238 0. 0. ]] spacegroup = 217 cell = [[5.878, 0, 0], [0, 5.878, 0], [0, 0, 5.878]] ========================================= Step Time Energy fmax BFGS: 0 17:44:42 32.299858 15.2209 BFGS: 1 17:44:42 20.380213 14.4865 BFGS: 2 17:44:42 10.276248 12.8259 BFGS: 3 17:44:42 1.971255 10.4082 BFGS: 4 17:44:42 -4.355681 7.3487 BFGS: 5 17:44:42 -8.492483 3.7622 BFGS: 6 17:44:42 -10.062137 3.0991 BFGS: 7 17:44:42 -10.672151 3.2669 BFGS: 8 17:44:42 -11.130114 3.3232 BFGS: 9 17:44:42 -11.557080 3.3312 BFGS: 10 17:44:42 -11.975535 3.3143 BFGS: 11 17:44:42 -12.390615 3.2827 BFGS: 12 17:44:42 -12.803308 3.2419 BFGS: 13 17:44:42 -13.213389 3.1947 BFGS: 14 17:44:42 -13.620240 3.1433 BFGS: 15 17:44:42 -14.023135 3.0888 BFGS: 16 17:44:42 -14.421356 3.0322 BFGS: 17 17:44:42 -14.814244 2.9742 BFGS: 18 17:44:42 -15.201224 2.9153 BFGS: 19 17:44:42 -15.581812 2.8558 BFGS: 20 17:44:42 -15.955622 2.7961 BFGS: 21 17:44:42 -16.322355 2.7365 BFGS: 22 17:44:42 -16.681792 2.6772 BFGS: 23 17:44:42 -17.033784 2.6182 BFGS: 24 17:44:42 -17.378246 2.5598 BFGS: 25 17:44:42 -17.715137 2.5021 BFGS: 26 17:44:42 -18.044464 2.4451 BFGS: 27 17:44:42 -18.366261 2.3889 BFGS: 28 17:44:42 -18.680593 2.3335 BFGS: 29 17:44:42 -18.987542 2.2791 BFGS: 30 17:44:42 -19.287208 2.2255 BFGS: 31 17:44:42 -19.579702 2.1729 BFGS: 32 17:44:42 -19.865146 2.1212 BFGS: 33 17:44:42 -20.143664 2.0705 BFGS: 34 17:44:42 -20.415389 2.0207 BFGS: 35 17:44:42 -20.680455 1.9720 BFGS: 36 17:44:42 -20.938996 1.9241 BFGS: 37 17:44:42 -21.191149 1.8773 BFGS: 38 17:44:42 -21.437051 1.8314 BFGS: 39 17:44:42 -21.676837 1.7864 BFGS: 40 17:44:42 -21.910643 1.7424 BFGS: 41 17:44:42 -22.138600 1.6993 BFGS: 42 17:44:42 -22.360841 1.6571 BFGS: 43 17:44:42 -22.577496 1.6159 BFGS: 44 17:44:42 -22.788693 1.5755 BFGS: 45 17:44:42 -22.994558 1.5360 BFGS: 46 17:44:42 -23.195215 1.4974 BFGS: 47 17:44:42 -23.390785 1.4596 BFGS: 48 17:44:42 -23.581387 1.4227 BFGS: 49 17:44:42 -23.767139 1.3866 BFGS: 50 17:44:42 -23.948157 1.3514 BFGS: 51 17:44:42 -24.124552 1.3169 BFGS: 52 17:44:42 -24.296436 1.2832 BFGS: 53 17:44:42 -24.463917 1.2503 BFGS: 54 17:44:43 -24.627100 1.2182 BFGS: 55 17:44:43 -24.786091 1.1869 BFGS: 56 17:44:43 -24.940991 1.1562 BFGS: 57 17:44:43 -25.091900 1.1263 BFGS: 58 17:44:43 -25.238915 1.0972 BFGS: 59 17:44:43 -25.382484 1.0760 BFGS: 60 17:44:43 -25.527823 1.1059 BFGS: 61 17:44:43 -25.694315 1.2610 BFGS: 62 17:44:43 -25.955515 1.7445 BFGS: 63 17:44:43 -26.586224 2.2300 BFGS: 64 17:44:43 -26.589947 2.6112 BFGS: 65 17:44:43 -26.892467 2.0743 BFGS: 66 17:44:43 -27.130433 1.5726 BFGS: 67 17:44:43 -27.360868 1.1945 BFGS: 68 17:44:43 -29.535260 9.6794 BFGS: 69 17:44:43 -28.489289 5.1214 BFGS: 70 17:44:43 -29.363152 3.8401 BFGS: 71 17:44:43 -30.181917 2.1263 BFGS: 72 17:44:43 -28.208049 7.8729 BFGS: 73 17:44:43 -29.991897 9.7421 BFGS: 74 17:44:43 -28.514589 4.8763 BFGS: 75 17:44:43 -29.407328 3.5652 BFGS: 76 17:44:43 -29.380975 13.1644 BFGS: 77 17:44:43 -29.922021 2.6125 BFGS: 78 17:44:43 -30.153939 2.1051 BFGS: 79 17:44:43 -30.555023 0.8635 BFGS: 80 17:44:43 -29.776966 13.9427 BFGS: 81 17:44:43 -30.601152 0.7336 BFGS: 82 17:44:43 -30.628554 0.6378 BFGS: 83 17:44:43 -30.654191 4.6328 BFGS: 84 17:44:43 -30.676170 0.4064 BFGS: 85 17:44:43 -30.686225 0.3082 BFGS: 86 17:44:43 -30.694910 0.1019 BFGS: 87 17:44:43 -30.695546 0.0804 BFGS: 88 17:44:43 -30.696245 0.0058 BFGS: 89 17:44:43 -30.696249 0.0006 BFGS: 90 17:44:43 -30.696249 0.0000 BFGS: 91 17:44:43 -30.696249 0.0000 BFGS: 92 17:44:43 -30.696249 0.0000 Minimization converged after 92 steps. Maximum force component: 6.246691127328085e-10 eV/Angstrom Maximum stress component: 5.548754031913257e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[1.03213111e-01 1.03213111e-01 1.03213111e-01] [8.96786889e-01 8.96786889e-01 1.03213111e-01] [8.96786889e-01 1.03213111e-01 8.96786889e-01] [1.03213111e-01 8.96786889e-01 8.96786889e-01] [6.03213111e-01 6.03213111e-01 6.03213111e-01] [3.96786889e-01 3.96786889e-01 6.03213111e-01] [3.96786889e-01 6.03213111e-01 3.96786889e-01] [6.03213111e-01 3.96786889e-01 3.96786889e-01] [2.11623657e-01 2.07103232e-33 1.27701926e-33] [7.88376343e-01 0.00000000e+00 1.30055773e-33] [1.27289719e-33 2.11623657e-01 2.80470736e-33] [1.29095002e-33 7.88376343e-01 0.00000000e+00] [2.07035837e-33 1.91608721e-33 2.11623657e-01] [0.00000000e+00 5.55387596e-35 7.88376343e-01] [7.11623657e-01 5.00000000e-01 5.00000000e-01] [2.88376343e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.11623657e-01 5.00000000e-01] [5.00000000e-01 2.88376343e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.11623657e-01] [5.00000000e-01 5.00000000e-01 2.88376343e-01]] cellpar = Cell([[6.935444567404864, -1.6650567926728552e-32, 1.602930681173181e-32], [-1.8173791338130854e-32, 6.935444567404864, -2.870619895535618e-18], [-1.1321800456823616e-32, -2.8706198955355964e-18, 6.935444567404864]]) forces = [[-6.24669113e-10 -6.24669113e-10 -6.24669113e-10] [ 6.24669113e-10 6.24669113e-10 -6.24669113e-10] [ 6.24669113e-10 -6.24669113e-10 6.24669113e-10] [-6.24669113e-10 6.24669113e-10 6.24669113e-10] [-6.24669113e-10 -6.24669113e-10 -6.24669113e-10] [ 6.24669113e-10 6.24669113e-10 -6.24669113e-10] [ 6.24669113e-10 -6.24669113e-10 6.24669113e-10] [-6.24669113e-10 6.24669113e-10 6.24669113e-10] [ 2.94031133e-10 -5.69906362e-32 -1.13981272e-31] [-2.94031133e-10 7.05907934e-43 -6.79569304e-43] [-1.13981272e-31 2.94031133e-10 -1.21758146e-28] [ 1.28228932e-31 -2.94031133e-10 1.21701156e-28] [-5.69906362e-32 -1.21815137e-28 2.94031133e-10] [ 4.79992563e-43 1.21815137e-28 -2.94031133e-10] [ 2.94031133e-10 -8.54859544e-32 -9.97336134e-32] [-2.94031133e-10 -1.42476591e-32 -6.79569298e-43] [-1.13981272e-31 2.94031133e-10 -1.21815137e-28] [ 3.56191477e-32 -2.94031133e-10 1.21697594e-28] [-1.01514571e-31 -1.21795547e-28 2.94031133e-10] [ 4.79992563e-43 1.21758146e-28 -2.94031133e-10]] stress = [ 5.54875403e-12 5.54875403e-12 5.54875403e-12 6.70628922e-29 -1.70836471e-34 4.32975375e-51] energy per atom = -1.5348124614166874 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0