element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:24:13 -404.467963 5.0558 BFGS: 1 17:24:13 -408.224400 3.8396 BFGS: 2 17:24:13 -409.873888 1.8743 BFGS: 3 17:24:14 -411.061407 1.0464 BFGS: 4 17:24:14 -411.830932 0.9098 BFGS: 5 17:24:14 -412.310116 0.8178 BFGS: 6 17:24:14 -412.549034 0.7727 BFGS: 7 17:24:15 -412.702111 0.7509 BFGS: 8 17:24:15 -412.851885 0.7340 BFGS: 9 17:24:15 -412.985539 0.7182 BFGS: 10 17:24:15 -413.107128 0.7000 BFGS: 11 17:24:15 -413.215873 0.6791 BFGS: 12 17:24:15 -413.311356 0.6561 BFGS: 13 17:24:15 -413.393725 0.6320 BFGS: 14 17:24:15 -413.463868 0.6077 BFGS: 15 17:24:16 -413.523536 0.5836 BFGS: 16 17:24:16 -413.575160 0.5601 BFGS: 17 17:24:16 -413.621424 0.5374 BFGS: 18 17:24:16 -413.664776 0.5156 BFGS: 19 17:24:16 -413.707067 0.4948 BFGS: 20 17:24:16 -413.749441 0.4747 BFGS: 21 17:24:16 -413.792457 0.4554 BFGS: 22 17:24:16 -413.836266 0.4366 BFGS: 23 17:24:16 -413.880780 0.4183 BFGS: 24 17:24:17 -413.925783 0.4003 BFGS: 25 17:24:17 -413.971002 0.3827 BFGS: 26 17:24:17 -414.016148 0.3652 BFGS: 27 17:24:17 -414.060938 0.3480 BFGS: 28 17:24:17 -414.105109 0.3309 BFGS: 29 17:24:17 -414.148423 0.3139 BFGS: 30 17:24:17 -414.190670 0.2970 BFGS: 31 17:24:17 -414.231664 0.2802 BFGS: 32 17:24:17 -414.271248 0.2635 BFGS: 33 17:24:18 -414.309283 0.2468 BFGS: 34 17:24:18 -414.345652 0.2301 BFGS: 35 17:24:18 -414.380256 0.2135 BFGS: 36 17:24:18 -414.413010 0.1970 BFGS: 37 17:24:18 -414.443843 0.1887 BFGS: 38 17:24:18 -414.472697 0.1824 BFGS: 39 17:24:18 -414.499524 0.1754 BFGS: 40 17:24:18 -414.524288 0.1675 BFGS: 41 17:24:18 -414.546963 0.1587 BFGS: 42 17:24:19 -414.567534 0.1489 BFGS: 43 17:24:19 -414.586003 0.1379 BFGS: 44 17:24:19 -414.602391 0.1255 BFGS: 45 17:24:19 -414.616753 0.1114 BFGS: 46 17:24:19 -414.629206 0.0950 BFGS: 47 17:24:19 -414.640015 0.0871 BFGS: 48 17:24:19 -414.649884 0.0952 BFGS: 49 17:24:19 -414.656852 0.0959 BFGS: 50 17:24:19 -414.666335 0.0900 BFGS: 51 17:24:19 -414.670611 0.0823 BFGS: 52 17:24:19 -414.672220 0.0785 BFGS: 53 17:24:20 -414.673236 0.0780 BFGS: 54 17:24:20 -414.674575 0.0801 BFGS: 55 17:24:20 -414.675613 0.0841 BFGS: 56 17:24:20 -414.676178 0.0871 BFGS: 57 17:24:20 -414.676569 0.0880 BFGS: 58 17:24:20 -414.677217 0.0875 BFGS: 59 17:24:21 -414.678406 0.0839 BFGS: 60 17:24:21 -414.680225 0.0753 BFGS: 61 17:24:21 -414.682226 0.0638 BFGS: 62 17:24:21 -414.684203 0.0522 BFGS: 63 17:24:22 -414.686358 0.0501 BFGS: 64 17:24:22 -414.688844 0.0441 BFGS: 65 17:24:22 -414.691569 0.0360 BFGS: 66 17:24:22 -414.694243 0.0293 BFGS: 67 17:24:22 -414.696467 0.0266 BFGS: 68 17:24:22 -414.697715 0.0257 BFGS: 69 17:24:22 -414.698462 0.0219 BFGS: 70 17:24:22 -414.699322 0.0124 BFGS: 71 17:24:23 -414.699761 0.0095 BFGS: 72 17:24:23 -414.699943 0.0093 BFGS: 73 17:24:23 -414.699996 0.0068 BFGS: 74 17:24:23 -414.700028 0.0043 BFGS: 75 17:24:23 -414.700057 0.0053 BFGS: 76 17:24:24 -414.700076 0.0045 BFGS: 77 17:24:24 -414.700084 0.0025 BFGS: 78 17:24:24 -414.700087 0.0009 BFGS: 79 17:24:24 -414.700089 0.0005 BFGS: 80 17:24:24 -414.700089 0.0005 BFGS: 81 17:24:24 -414.700089 0.0003 BFGS: 82 17:24:25 -414.700090 0.0002 BFGS: 83 17:24:25 -414.700090 0.0002 BFGS: 84 17:24:25 -414.700090 0.0002 BFGS: 85 17:24:25 -414.700090 0.0001 BFGS: 86 17:24:25 -414.700090 0.0001 BFGS: 87 17:24:26 -414.700090 0.0001 BFGS: 88 17:24:26 -414.700090 0.0000 BFGS: 89 17:24:26 -414.700090 0.0000 BFGS: 90 17:24:26 -414.700090 0.0000 BFGS: 91 17:24:26 -414.700090 0.0000 BFGS: 92 17:24:26 -414.700090 0.0000 BFGS: 93 17:24:27 -414.700090 0.0000 BFGS: 94 17:24:27 -414.700090 0.0000 BFGS: 95 17:24:27 -414.700090 0.0000 BFGS: 96 17:24:27 -414.700090 0.0000 BFGS: 97 17:24:27 -414.700090 0.0000 BFGS: 98 17:24:28 -414.700090 0.0000 BFGS: 99 17:24:28 -414.700090 0.0000 BFGS: 100 17:24:28 -414.700090 0.0000 BFGS: 101 17:24:28 -414.700090 0.0000 BFGS: 102 17:24:28 -414.700090 0.0000 BFGS: 103 17:24:28 -414.700090 0.0000 BFGS: 104 17:24:28 -414.700090 0.0000 Minimization converged after 104 steps. Maximum force component: 8.289683548417773e-09 eV/Angstrom Maximum stress component: 5.001357373177065e-13 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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[3.36457057e-33 0.00000000e+00 1.53927361e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 1.90300994e-01 9.47367319e-01] [0.00000000e+00 8.09699006e-01 9.47367319e-01] [3.09699006e-01 5.00000000e-01 4.47367319e-01] [6.90300994e-01 5.00000000e-01 4.47367319e-01] [5.00000000e-01 6.90300994e-01 5.52632681e-01] [5.00000000e-01 3.09699006e-01 5.52632681e-01] [1.90300994e-01 4.37779674e-34 5.26326805e-02] [8.09699006e-01 8.53091290e-33 5.26326805e-02] [6.24034694e-33 1.33219224e-01 8.52344463e-01] [0.00000000e+00 8.66780776e-01 8.52344463e-01] [3.66780776e-01 5.00000000e-01 3.52344463e-01] [6.33219224e-01 5.00000000e-01 3.52344463e-01] [5.00000000e-01 6.33219224e-01 6.47655537e-01] [5.00000000e-01 3.66780776e-01 6.47655537e-01] [1.33219224e-01 2.05686958e-33 1.47655537e-01] [8.66780776e-01 1.82524012e-33 1.47655537e-01] [4.12253947e-33 3.78359781e-01 5.21540796e-01] [0.00000000e+00 6.21640219e-01 5.21540796e-01] [1.21640219e-01 5.00000000e-01 2.15407960e-02] [8.78359781e-01 5.00000000e-01 2.15407960e-02] [5.00000000e-01 8.78359781e-01 9.78459204e-01] [5.00000000e-01 1.21640219e-01 9.78459204e-01] [3.78359781e-01 0.00000000e+00 4.78459204e-01] [6.21640219e-01 1.49539977e-32 4.78459204e-01] [3.87976997e-33 2.32343704e-01 5.99997944e-01] [1.23342654e-32 7.67656296e-01 5.99997944e-01] [2.67656296e-01 5.00000000e-01 9.99979441e-02] [7.32343704e-01 5.00000000e-01 9.99979441e-02] [5.00000000e-01 7.32343704e-01 9.00002056e-01] [5.00000000e-01 2.67656296e-01 9.00002056e-01] [2.32343704e-01 0.00000000e+00 4.00002056e-01] [7.67656296e-01 5.85559267e-33 4.00002056e-01] [8.96996754e-33 3.68680262e-01 6.75103400e-01] [0.00000000e+00 6.31319738e-01 6.75103400e-01] [1.31319738e-01 5.00000000e-01 1.75103400e-01] [8.68680262e-01 5.00000000e-01 1.75103400e-01] [5.00000000e-01 8.68680262e-01 8.24896600e-01] [5.00000000e-01 1.31319738e-01 8.24896600e-01] [3.68680262e-01 3.78019274e-33 3.24896600e-01] [6.31319738e-01 0.00000000e+00 3.24896600e-01] [1.85262607e-01 3.16691898e-01 4.71611126e-01] [8.14737393e-01 6.83308102e-01 4.71611126e-01] [1.83308102e-01 6.85262607e-01 9.71611126e-01] [8.16691898e-01 3.14737393e-01 9.71611126e-01] [3.14737393e-01 8.16691898e-01 2.83888739e-02] [6.85262607e-01 1.83308102e-01 2.83888739e-02] [3.16691898e-01 1.85262607e-01 5.28388874e-01] [6.83308102e-01 8.14737393e-01 5.28388874e-01] [3.14737393e-01 1.83308102e-01 2.83888739e-02] [6.85262607e-01 8.16691898e-01 2.83888739e-02] [3.16691898e-01 8.14737393e-01 5.28388874e-01] [6.83308102e-01 1.85262607e-01 5.28388874e-01] [1.85262607e-01 6.83308102e-01 4.71611126e-01] [8.14737393e-01 3.16691898e-01 4.71611126e-01] [1.83308102e-01 3.14737393e-01 9.71611126e-01] [8.16691898e-01 6.85262607e-01 9.71611126e-01] [2.04838571e-01 1.21325580e-01 6.08647722e-01] [7.95161429e-01 8.78674420e-01 6.08647722e-01] [3.78674420e-01 7.04838571e-01 1.08647722e-01] [6.21325580e-01 2.95161429e-01 1.08647722e-01] [2.95161429e-01 6.21325580e-01 8.91352278e-01] [7.04838571e-01 3.78674420e-01 8.91352278e-01] [1.21325580e-01 2.04838571e-01 3.91352278e-01] [8.78674420e-01 7.95161429e-01 3.91352278e-01] [2.95161429e-01 3.78674420e-01 8.91352278e-01] [7.04838571e-01 6.21325580e-01 8.91352278e-01] [1.21325580e-01 7.95161429e-01 3.91352278e-01] [8.78674420e-01 2.04838571e-01 3.91352278e-01] [2.04838571e-01 8.78674420e-01 6.08647722e-01] [7.95161429e-01 1.21325580e-01 6.08647722e-01] [3.78674420e-01 2.95161429e-01 1.08647722e-01] [6.21325580e-01 7.04838571e-01 1.08647722e-01] [3.21655695e-01 2.36986800e-01 6.81105375e-01] [6.78344305e-01 7.63013200e-01 6.81105375e-01] [2.63013200e-01 8.21655695e-01 1.81105375e-01] [7.36986800e-01 1.78344305e-01 1.81105375e-01] [1.78344305e-01 7.36986800e-01 8.18894625e-01] [8.21655695e-01 2.63013200e-01 8.18894625e-01] [2.36986800e-01 3.21655695e-01 3.18894625e-01] [7.63013200e-01 6.78344305e-01 3.18894625e-01] [1.78344305e-01 2.63013200e-01 8.18894625e-01] [8.21655695e-01 7.36986800e-01 8.18894625e-01] [2.36986800e-01 6.78344305e-01 3.18894625e-01] [7.63013200e-01 3.21655695e-01 3.18894625e-01] [3.21655695e-01 7.63013200e-01 6.81105375e-01] [6.78344305e-01 2.36986800e-01 6.81105375e-01] [2.63013200e-01 1.78344305e-01 1.81105375e-01] [7.36986800e-01 8.21655695e-01 1.81105375e-01] [1.79809244e-01 3.84467601e-01 7.29133923e-01] [8.20190756e-01 6.15532399e-01 7.29133923e-01] [1.15532399e-01 6.79809244e-01 2.29133923e-01] [8.84467601e-01 3.20190756e-01 2.29133923e-01] [3.20190756e-01 8.84467601e-01 7.70866077e-01] [6.79809244e-01 1.15532399e-01 7.70866077e-01] [3.84467601e-01 1.79809244e-01 2.70866077e-01] [6.15532399e-01 8.20190756e-01 2.70866077e-01] [3.20190756e-01 1.15532399e-01 7.70866077e-01] [6.79809244e-01 8.84467601e-01 7.70866077e-01] [3.84467601e-01 8.20190756e-01 2.70866077e-01] [6.15532399e-01 1.79809244e-01 2.70866077e-01] [1.79809244e-01 6.15532399e-01 7.29133923e-01] [8.20190756e-01 3.84467601e-01 7.29133923e-01] [1.15532399e-01 3.20190756e-01 2.29133923e-01] [8.84467601e-01 6.79809244e-01 2.29133923e-01]] cellpar = Cell([[10.39337768617272, -9.664953552511468e-37, -8.498241991298182e-41], [1.8153068377210965e-36, 10.393377686172714, 1.3734291155271007e-18], [3.2420816973692976e-38, 3.3072075102084616e-18, 24.31497555601094]]) forces = [[-7.99234845e-70 -8.15289597e-50 -5.99410426e-31] [ 6.40541354e-32 -5.95648751e-69 -5.23744599e-73] [ 5.12433083e-31 -1.10340079e-09 -2.31162633e-09] [ 5.12433083e-31 1.10340079e-09 -2.31162633e-09] [ 1.10340079e-09 -3.15441302e-28 -2.31162633e-09] [-1.10340079e-09 -3.15441302e-28 -2.31162633e-09] [ 7.68649625e-31 -1.10340079e-09 2.31162633e-09] [ 5.12433083e-31 1.10340079e-09 2.31162633e-09] [-1.10340079e-09 3.13904003e-28 2.31162633e-09] [ 1.10340079e-09 3.13904003e-28 2.31162633e-09] [ 9.60812031e-32 -8.28968355e-09 -8.85880948e-10] [-9.60812031e-32 8.28968355e-09 -8.85880948e-10] [ 8.28968355e-09 -1.20125008e-28 -8.85880948e-10] [-8.28968355e-09 -1.20589401e-28 -8.85880948e-10] [-1.44669452e-45 -8.28968355e-09 8.85880948e-10] [ 1.44905693e-45 8.28968355e-09 8.85880948e-10] [-8.28968355e-09 1.20493320e-28 8.85880948e-10] [ 8.28968355e-09 1.20237103e-28 8.85880948e-10] [-2.56216542e-31 -4.11606274e-09 -3.50535663e-09] [ 7.14237385e-46 4.11606274e-09 -3.50535663e-09] [ 4.11606274e-09 -4.77102233e-28 -3.50535663e-09] [-4.11606274e-09 -4.76749935e-28 -3.50535663e-09] [-2.56216542e-31 -4.11606274e-09 3.50535663e-09] [ 2.56216542e-31 4.11606274e-09 3.50535663e-09] [-4.11606274e-09 4.76813990e-28 3.50535663e-09] [ 4.11606274e-09 4.76797976e-28 3.50535663e-09] [-1.02486617e-30 -3.22332423e-09 2.89474258e-09] [ 5.12433083e-31 3.22332423e-09 2.89474258e-09] [ 3.22332423e-09 3.93729139e-28 2.89474258e-09] [-3.22332423e-09 3.93729139e-28 2.89474258e-09] [-5.12433083e-31 -3.22332423e-09 -2.89474258e-09] [ 1.02486617e-30 3.22332423e-09 -2.89474258e-09] [-3.22332423e-09 -3.93729139e-28 -2.89474258e-09] [ 3.22332423e-09 -3.93729139e-28 -2.89474258e-09] [ 2.71871244e-46 1.55060011e-09 7.82607616e-10] [ 1.53729925e-30 -1.55060011e-09 7.82607616e-10] [-1.55060011e-09 1.06446572e-28 7.82607616e-10] [ 1.55060011e-09 1.07471438e-28 7.82607616e-10] [-1.02486617e-30 1.55060011e-09 -7.82607616e-10] [-2.71871244e-46 -1.55060011e-09 -7.82607616e-10] [ 1.55060011e-09 -1.05934138e-28 -7.82607616e-10] [-1.55060011e-09 -1.07471438e-28 -7.82607616e-10] [-4.21561709e-10 -3.32274373e-09 -1.29835019e-09] [ 4.21561709e-10 3.32274373e-09 -1.29835019e-09] [ 3.32274373e-09 -4.21561709e-10 -1.29835019e-09] [-3.32274373e-09 4.21561709e-10 -1.29835019e-09] [ 4.21561709e-10 -3.32274373e-09 1.29835019e-09] [-4.21561709e-10 3.32274373e-09 1.29835019e-09] [-3.32274373e-09 -4.21561709e-10 1.29835019e-09] [ 3.32274373e-09 4.21561709e-10 1.29835019e-09] [ 4.21561709e-10 3.32274373e-09 1.29835019e-09] [-4.21561709e-10 -3.32274373e-09 1.29835019e-09] [-3.32274373e-09 4.21561709e-10 1.29835019e-09] [ 3.32274373e-09 -4.21561709e-10 1.29835019e-09] [-4.21561709e-10 3.32274373e-09 -1.29835019e-09] [ 4.21561709e-10 -3.32274373e-09 -1.29835019e-09] [ 3.32274373e-09 4.21561709e-10 -1.29835019e-09] [-3.32274373e-09 -4.21561709e-10 -1.29835019e-09] [-4.98377676e-10 -2.65057706e-09 -2.93139230e-09] [ 4.98377676e-10 2.65057706e-09 -2.93139230e-09] [ 2.65057706e-09 -4.98377676e-10 -2.93139230e-09] [-2.65057706e-09 4.98377676e-10 -2.93139230e-09] [ 4.98377676e-10 -2.65057706e-09 2.93139230e-09] [-4.98377676e-10 2.65057706e-09 2.93139230e-09] [-2.65057706e-09 -4.98377676e-10 2.93139230e-09] [ 2.65057706e-09 4.98377676e-10 2.93139230e-09] [ 4.98377676e-10 2.65057706e-09 2.93139230e-09] [-4.98377676e-10 -2.65057706e-09 2.93139230e-09] [-2.65057706e-09 4.98377676e-10 2.93139230e-09] [ 2.65057706e-09 -4.98377676e-10 2.93139230e-09] [-4.98377676e-10 2.65057706e-09 -2.93139230e-09] [ 4.98377676e-10 -2.65057706e-09 -2.93139230e-09] [ 2.65057706e-09 4.98377676e-10 -2.93139230e-09] [-2.65057706e-09 -4.98377676e-10 -2.93139230e-09] [ 3.87283981e-09 -2.04332055e-09 -1.81360822e-09] [-3.87283981e-09 2.04332055e-09 -1.81360822e-09] [ 2.04332055e-09 3.87283981e-09 -1.81360822e-09] [-2.04332055e-09 -3.87283981e-09 -1.81360822e-09] [-3.87283981e-09 -2.04332055e-09 1.81360822e-09] [ 3.87283981e-09 2.04332055e-09 1.81360822e-09] [-2.04332055e-09 3.87283981e-09 1.81360822e-09] [ 2.04332055e-09 -3.87283981e-09 1.81360822e-09] [-3.87283981e-09 2.04332055e-09 1.81360822e-09] [ 3.87283981e-09 -2.04332055e-09 1.81360822e-09] [-2.04332055e-09 -3.87283981e-09 1.81360822e-09] [ 2.04332055e-09 3.87283981e-09 1.81360822e-09] [ 3.87283981e-09 2.04332055e-09 -1.81360822e-09] [-3.87283981e-09 -2.04332055e-09 -1.81360822e-09] [ 2.04332055e-09 -3.87283981e-09 -1.81360822e-09] [-2.04332055e-09 3.87283981e-09 -1.81360822e-09] [-1.52166917e-10 -4.66582391e-10 2.25870700e-09] [ 1.52166917e-10 4.66582391e-10 2.25870700e-09] [ 4.66582391e-10 -1.52166917e-10 2.25870700e-09] [-4.66582391e-10 1.52166917e-10 2.25870700e-09] [ 1.52166917e-10 -4.66582391e-10 -2.25870700e-09] [-1.52166917e-10 4.66582391e-10 -2.25870700e-09] [-4.66582391e-10 -1.52166917e-10 -2.25870700e-09] [ 4.66582391e-10 1.52166917e-10 -2.25870700e-09] [ 1.52166917e-10 4.66582391e-10 -2.25870700e-09] [-1.52166917e-10 -4.66582391e-10 -2.25870700e-09] [-4.66582391e-10 1.52166917e-10 -2.25870700e-09] [ 4.66582391e-10 -1.52166917e-10 -2.25870700e-09] [-1.52166917e-10 4.66582391e-10 2.25870700e-09] [ 1.52166917e-10 -4.66582391e-10 2.25870700e-09] [ 4.66582391e-10 1.52166917e-10 2.25870700e-09] [-4.66582391e-10 -1.52166917e-10 2.25870700e-09]] stress = [-5.00135737e-13 -5.00135737e-13 3.15303119e-13 8.49870519e-30 -7.80386765e-34 1.08300419e-50] energy per atom = -3.9122649973580756 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0