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 17:00:04 -81.228307 1.157091 BFGS: 1 17:00:04 -81.329977 1.097882 BFGS: 2 17:00:04 -81.571639 0.899024 BFGS: 3 17:00:04 -81.689009 0.689732 BFGS: 4 17:00:04 -81.710722 0.585024 BFGS: 5 17:00:04 -81.732066 0.527947 BFGS: 6 17:00:04 -81.769632 0.451598 BFGS: 7 17:00:04 -81.795166 0.393592 BFGS: 8 17:00:04 -81.809929 0.344807 BFGS: 9 17:00:04 -81.821023 0.299739 BFGS: 10 17:00:05 -81.833303 0.255420 BFGS: 11 17:00:05 -81.847308 0.216773 BFGS: 12 17:00:05 -81.862169 0.195052 BFGS: 13 17:00:05 -81.876552 0.185037 BFGS: 14 17:00:05 -81.889206 0.300431 BFGS: 15 17:00:05 -81.900266 0.425385 BFGS: 16 17:00:05 -81.912905 0.573385 BFGS: 17 17:00:05 -81.928440 0.705910 BFGS: 18 17:00:05 -81.945535 0.831990 BFGS: 19 17:00:05 -81.978336 0.980448 BFGS: 20 17:00:05 -82.048323 1.160110 BFGS: 21 17:00:05 -82.180570 1.370050 BFGS: 22 17:00:05 -82.411606 1.675950 BFGS: 23 17:00:05 -82.759819 2.048411 BFGS: 24 17:00:05 -83.178438 2.367248 BFGS: 25 17:00:05 -83.607180 2.588318 BFGS: 26 17:00:05 -83.993880 2.705854 BFGS: 27 17:00:05 -84.284245 2.737138 BFGS: 28 17:00:05 -84.498948 2.725687 BFGS: 29 17:00:05 -84.684043 2.694166 BFGS: 30 17:00:06 -84.859739 2.649962 BFGS: 31 17:00:06 -85.035924 2.595681 BFGS: 32 17:00:06 -85.218516 2.531535 BFGS: 33 17:00:06 -85.409951 2.456788 BFGS: 34 17:00:06 -85.596513 2.376685 BFGS: 35 17:00:06 -85.779738 2.290592 BFGS: 36 17:00:06 -85.960316 2.197624 BFGS: 37 17:00:06 -86.138391 2.096909 BFGS: 38 17:00:06 -86.313759 1.987733 BFGS: 39 17:00:06 -86.485997 1.869634 BFGS: 40 17:00:06 -86.654552 1.742464 BFGS: 41 17:00:06 -86.818808 1.606416 BFGS: 42 17:00:06 -86.978125 1.462039 BFGS: 43 17:00:06 -87.131868 1.362735 BFGS: 44 17:00:06 -87.279408 1.260615 BFGS: 45 17:00:06 -87.420107 1.154210 BFGS: 46 17:00:06 -87.553273 1.044490 BFGS: 47 17:00:06 -87.678081 0.932380 BFGS: 48 17:00:06 -87.793446 0.818565 BFGS: 49 17:00:07 -87.897847 0.703209 BFGS: 50 17:00:07 -87.989080 0.585563 BFGS: 51 17:00:07 -88.060387 0.470207 BFGS: 52 17:00:07 -88.108024 0.361635 BFGS: 53 17:00:07 -88.134787 0.253897 BFGS: 54 17:00:07 -88.142632 0.224685 BFGS: 55 17:00:07 -88.143948 0.195849 BFGS: 56 17:00:07 -88.148007 0.058699 BFGS: 57 17:00:07 -88.148238 0.043739 BFGS: 58 17:00:07 -88.148495 0.011448 BFGS: 59 17:00:07 -88.148526 0.003758 BFGS: 60 17:00:07 -88.148530 0.000430 BFGS: 61 17:00:07 -88.148530 0.000037 BFGS: 62 17:00:07 -88.148530 0.000008 BFGS: 63 17:00:08 -88.148530 0.000000 BFGS: 64 17:00:08 -88.148530 0.000000 Minimization converged after 64 steps. Maximum force component: 7.134076053863515e-09 eV/Angstrom Maximum stress component: 5.853839742082828e-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 = [[6.44453872e-36 2.50000000e-01 0.00000000e+00] [5.88301776e-37 7.50000000e-01 0.00000000e+00] [4.54052330e-37 7.50000000e-01 5.00000000e-01] [8.67084940e-54 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 0.00000000e+00] [5.00000000e-01 2.50000000e-01 1.44339222e-33] [2.50000000e-01 1.00000000e+00 8.68160745e-37] [7.50000000e-01 1.00000000e+00 0.00000000e+00] [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 0.00000000e+00] [2.50000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.858502242409141, -3.620564262721573e-53, -1.2804885880206283e-37], [-1.4615706020361617e-54, 8.415172732165283, 4.659471282379638e-17], [-4.5371532726927675e-37, 2.5946359394536027e-17, 5.337232419696833]]) forces = [[ 1.23906617e-63 -7.13407605e-09 -3.95012955e-26] [-1.23906617e-63 7.13407605e-09 3.95012955e-26] [ 1.23906617e-63 -7.13407605e-09 -3.95012955e-26] [-1.23906617e-63 7.13407605e-09 3.95012955e-26] [ 1.23906617e-63 -7.13407605e-09 -3.95012955e-26] [-1.23906617e-63 7.13407605e-09 3.95012955e-26] [ 1.23906617e-63 -7.13407605e-09 -3.95012955e-26] [-1.23906617e-63 7.13407605e-09 3.95012955e-26] [-2.84175765e-10 2.11768271e-63 7.48962963e-48] [ 2.84175765e-10 -2.11768271e-63 -7.48962963e-48] [-2.84175765e-10 2.11768271e-63 7.48962963e-48] [ 2.84175765e-10 -2.11768271e-63 -7.48962963e-48] [-2.84175765e-10 2.11768271e-63 7.48962963e-48] [ 2.84175765e-10 -2.11768271e-63 -7.48962963e-48] [-2.84175765e-10 2.11768271e-63 7.48962963e-48] [ 2.84175765e-10 -2.11768271e-63 -7.48962963e-48]] stress = [ 2.71765843e-010 -1.12504343e-011 -5.85383974e-010 9.47679638e-102 8.31557923e-047 5.30630675e-065] energy per atom = -2.348325996461166 =============================================== 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.