element(s): ['Si'] AFLOW prototype label: A_oF16_69_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474'] model name: SNAP_ZuoChenLi_2019quadratic_Si__MO_721469752060_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si'] representative atom coordinates = [[0. 0.27623302 0. ] [0.22815526 0. 0. ]] spacegroup = 69 cell = [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]] ========================================= Step Time Energy fmax BFGS: 0 16:52:32 -81.228307 1.1571 BFGS: 1 16:52:32 -81.329977 1.0979 BFGS: 2 16:52:32 -81.571639 0.8990 BFGS: 3 16:52:32 -81.689009 0.6897 BFGS: 4 16:52:32 -81.710722 0.5850 BFGS: 5 16:52:32 -81.732066 0.5279 BFGS: 6 16:52:32 -81.769632 0.4516 BFGS: 7 16:52:32 -81.795166 0.3936 BFGS: 8 16:52:32 -81.809929 0.3448 BFGS: 9 16:52:33 -81.821023 0.2997 BFGS: 10 16:52:33 -81.833303 0.2554 BFGS: 11 16:52:33 -81.847308 0.2168 BFGS: 12 16:52:33 -81.862169 0.1951 BFGS: 13 16:52:33 -81.876552 0.1850 BFGS: 14 16:52:33 -81.889206 0.3004 BFGS: 15 16:52:33 -81.900266 0.4254 BFGS: 16 16:52:33 -81.912905 0.5734 BFGS: 17 16:52:33 -81.928440 0.7059 BFGS: 18 16:52:33 -81.945535 0.8320 BFGS: 19 16:52:33 -81.978336 0.9804 BFGS: 20 16:52:33 -82.048323 1.1601 BFGS: 21 16:52:33 -82.180570 1.3700 BFGS: 22 16:52:33 -82.411606 1.6759 BFGS: 23 16:52:33 -82.759819 2.0484 BFGS: 24 16:52:33 -83.178438 2.3672 BFGS: 25 16:52:33 -83.607180 2.5883 BFGS: 26 16:52:33 -83.993880 2.7059 BFGS: 27 16:52:33 -84.284245 2.7371 BFGS: 28 16:52:33 -84.498948 2.7257 BFGS: 29 16:52:33 -84.684043 2.6942 BFGS: 30 16:52:33 -84.859739 2.6500 BFGS: 31 16:52:33 -85.035924 2.5957 BFGS: 32 16:52:33 -85.218516 2.5315 BFGS: 33 16:52:33 -85.409951 2.4568 BFGS: 34 16:52:33 -85.596513 2.3767 BFGS: 35 16:52:33 -85.779738 2.2906 BFGS: 36 16:52:33 -85.960316 2.1976 BFGS: 37 16:52:33 -86.138391 2.0969 BFGS: 38 16:52:33 -86.313759 1.9877 BFGS: 39 16:52:33 -86.485997 1.8696 BFGS: 40 16:52:33 -86.654552 1.7425 BFGS: 41 16:52:33 -86.818808 1.6064 BFGS: 42 16:52:33 -86.978125 1.4620 BFGS: 43 16:52:33 -87.131868 1.3627 BFGS: 44 16:52:33 -87.279408 1.2606 BFGS: 45 16:52:33 -87.420107 1.1542 BFGS: 46 16:52:33 -87.553273 1.0445 BFGS: 47 16:52:33 -87.678081 0.9324 BFGS: 48 16:52:33 -87.793446 0.8186 BFGS: 49 16:52:33 -87.897847 0.7032 BFGS: 50 16:52:33 -87.989080 0.5856 BFGS: 51 16:52:33 -88.060387 0.4702 BFGS: 52 16:52:33 -88.108024 0.3616 BFGS: 53 16:52:33 -88.134787 0.2539 BFGS: 54 16:52:33 -88.142632 0.2247 BFGS: 55 16:52:33 -88.143948 0.1958 BFGS: 56 16:52:33 -88.148007 0.0587 BFGS: 57 16:52:33 -88.148238 0.0437 BFGS: 58 16:52:33 -88.148495 0.0114 BFGS: 59 16:52:33 -88.148526 0.0038 BFGS: 60 16:52:33 -88.148530 0.0004 BFGS: 61 16:52:33 -88.148530 0.0000 BFGS: 62 16:52:33 -88.148530 0.0000 BFGS: 63 16:52:33 -88.148530 0.0000 BFGS: 64 16:52:33 -88.148530 0.0000 Minimization converged after 64 steps. Maximum force component: 7.134055334326321e-09 eV/Angstrom Maximum stress component: 5.853839013525296e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.50000000e-01 2.59810600e-33] [1.53548950e-37 7.50000000e-01 7.50563957e-33] [0.00000000e+00 7.50000000e-01 5.00000000e-01] [0.00000000e+00 2.50000000e-01 5.00000000e-01] [5.00000000e-01 2.50000000e-01 5.00000000e-01] [5.00000000e-01 7.50000000e-01 5.00000000e-01] [5.00000000e-01 7.50000000e-01 2.88678445e-33] [5.00000000e-01 2.50000000e-01 2.30942756e-33] [2.50000000e-01 1.00000000e+00 0.00000000e+00] [7.50000000e-01 1.00000000e+00 1.75442532e-36] [2.50000000e-01 5.00000000e-01 5.00000000e-01] [7.50000000e-01 5.00000000e-01 5.00000000e-01] [7.50000000e-01 1.00000000e+00 5.00000000e-01] [2.50000000e-01 1.00000000e+00 5.00000000e-01] [7.50000000e-01 5.00000000e-01 5.77356890e-34] [2.50000000e-01 5.00000000e-01 5.77356890e-34]] cellpar = Cell([[4.858502242409142, -4.250738686618473e-53, 7.393201803384465e-37], [1.2806445877887286e-53, 8.415172732165285, -3.545819187698228e-17], [-3.253482472494961e-38, -1.8550782250181992e-17, 5.337232419696833]]) forces = [[-4.11713938e-32 -7.13405533e-09 3.00600726e-26] [ 1.08568055e-62 7.13405533e-09 -3.00600726e-26] [-5.98856637e-32 -7.13405533e-09 3.00600726e-26] [ 1.08568055e-62 7.13405533e-09 -3.00600726e-26] [-5.98856637e-32 -7.13405533e-09 3.00600726e-26] [ 1.08568055e-62 7.13405533e-09 -3.00600726e-26] [-5.98856637e-32 -7.13405533e-09 3.00600726e-26] [ 1.08568055e-62 7.13405533e-09 -3.00600726e-26] [-2.84173770e-10 2.48625683e-63 -4.32428334e-47] [ 2.84173770e-10 -2.48625683e-63 4.32428334e-47] [-2.84173770e-10 2.48625683e-63 -4.32428334e-47] [ 2.84173770e-10 -2.48625683e-63 4.32428334e-47] [-2.84173770e-10 2.48625683e-63 -4.32428334e-47] [ 2.84173770e-10 -2.48625683e-63 4.32428334e-47] [-2.84173770e-10 2.48625683e-63 -4.32428334e-47] [ 2.84173770e-10 -2.48625683e-63 4.32428334e-47]] stress = [ 2.71765635e-010 -1.12503656e-011 -5.85383901e-010 -5.95436084e-102 5.96289820e-048 -4.64943931e-064] energy per atom = -2.3483259964611713 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oF16_69_gh, while relaxed is A_hP1_191_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.