Model name? MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_002 Stoichiometric species (literal list of strings)? ['Al', 'Mg'] Prototype label? A14B13_cI54_229_ef_ah Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Query result (literal list of dicts)? [{'instance-id': 2, 'a.si-value': 1.01939e-09, 'parameter-names.source-value': ['x2', 'x3', 'y4'], 'parameter-values.source-value': [0.29445099, 0.82528531, 0.65869118], 'meta.uuid': 'TE_600340390354_002-and-MO_058537087384_002-1710528005-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Mg', 'Mg'] representative atom coordinates = [[0.29445099 0. 0. ] [0.32528531 0.32528531 0.32528531] [0. 0. 0. ] [0. 0.65869118 0.65869118]] spacegroup = 229 cell = [[10.1939, 0, 0], [0, 10.1939, 0], [0, 0, 10.1939]] ========================================= E L A S T I C C O N S T A N T C A L C U L A T I O N S Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 1 steps. Minimization converged after 13 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 11 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.78696895e-02 -4.98864144e-12 -9.11282855e-12] [ 2.78696894e-02 -8.62649535e-12 1.57901470e-13] [-2.91344310e-11 1.39941380e-03 1.46265417e-02] [ 3.09873655e-11 -1.39941385e-03 -1.46265417e-02] [-5.43551315e-12 1.46265417e-02 1.39941379e-03] [ 2.23561447e-12 -1.46265417e-02 -1.39941384e-03] [-2.78696895e-02 -7.35769298e-12 -6.96469162e-12] [ 2.78696895e-02 1.59315752e-12 -1.38864006e-11] [ 2.90822235e-11 1.39941384e-03 1.46265417e-02] [-1.74184526e-11 -1.39941381e-03 -1.46265417e-02] [-5.77226991e-12 1.46265417e-02 1.39941386e-03] [-1.14161553e-11 -1.46265417e-02 -1.39941379e-03] [ 1.89752303e-02 8.77030846e-03 8.77030846e-03] [-2.40835032e-02 -1.29714886e-02 1.29714886e-02] [-2.40835032e-02 1.29714886e-02 -1.29714886e-02] [ 1.89752303e-02 -8.77030842e-03 -8.77030841e-03] [ 2.40835032e-02 1.29714886e-02 -1.29714886e-02] [-1.89752303e-02 -8.77030841e-03 -8.77030844e-03] [ 2.40835032e-02 -1.29714887e-02 1.29714886e-02] [-1.89752303e-02 8.77030848e-03 8.77030844e-03] [ 1.89752303e-02 8.77030845e-03 8.77030842e-03] [-2.40835032e-02 -1.29714886e-02 1.29714885e-02] [-2.40835033e-02 1.29714886e-02 -1.29714886e-02] [ 1.89752303e-02 -8.77030843e-03 -8.77030845e-03] [ 2.40835032e-02 1.29714886e-02 -1.29714886e-02] [-1.89752303e-02 -8.77030846e-03 -8.77030846e-03] [ 2.40835032e-02 -1.29714886e-02 1.29714886e-02] [-1.89752303e-02 8.77030845e-03 8.77030844e-03] [ 2.71824160e-11 1.66384961e-11 1.63653952e-11] [-6.42552592e-12 -2.16590965e-11 -6.36378851e-11] [-7.00228764e-12 2.58044875e-02 2.58044886e-02] [-1.79438686e-11 2.18924056e-04 -2.18922989e-04] [ 2.28484454e-11 -2.18924382e-04 2.18922735e-04] [-1.52110546e-11 -2.58044873e-02 -2.58044887e-02] [-3.47980595e-03 -8.07913911e-03 -2.17875080e-03] [-3.47980607e-03 8.07913902e-03 2.17875071e-03] [ 3.47980595e-03 -8.07913908e-03 -2.17875077e-03] [ 3.47980606e-03 8.07913907e-03 2.17875075e-03] [-3.47980748e-03 -2.17874929e-03 -8.07913911e-03] [ 3.47980743e-03 -2.17874934e-03 -8.07913915e-03] [-3.47980746e-03 2.17874930e-03 8.07913906e-03] [ 3.47980746e-03 2.17874932e-03 8.07913905e-03] [ 1.29464735e-11 2.58044888e-02 2.58044873e-02] [ 4.44496256e-11 2.18922812e-04 -2.18924236e-04] [ 1.38172972e-13 -2.18922757e-04 2.18924289e-04] [ 6.94610484e-12 -2.58044889e-02 -2.58044873e-02] [-3.47980749e-03 -8.07913903e-03 -2.17874926e-03] [-3.47980730e-03 8.07913913e-03 2.17874942e-03] [ 3.47980748e-03 -8.07913909e-03 -2.17874926e-03] [ 3.47980735e-03 8.07913908e-03 2.17874938e-03] [-3.47980608e-03 -2.17875067e-03 -8.07913901e-03] [ 3.47980609e-03 -2.17875065e-03 -8.07913899e-03] [-3.47980602e-03 2.17875073e-03 8.07913919e-03] [ 3.47980600e-03 2.17875072e-03 8.07913918e-03]] Final stress: [ 4.15058863e-05 -1.60789403e-05 -1.60789402e-05 1.01834792e-06 -1.80018981e-14 2.34849421e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.57474961e-04 -4.44547177e-13 -8.32667268e-15] [ 7.57474961e-04 -1.62689306e-13 -2.11136664e-13] [ 1.29299349e-13 1.27368822e-04 -4.27359082e-05] [-7.64943664e-14 -1.27368821e-04 4.27359086e-05] [ 1.21652688e-13 -4.27359087e-05 1.27368822e-04] [ 2.04836148e-14 4.27359085e-05 -1.27368820e-04] [-7.57474961e-04 -9.18402381e-14 -1.29920315e-13] [ 7.57474961e-04 -3.71242547e-14 -2.71464532e-13] [-4.60516666e-14 1.27368822e-04 -4.27359080e-05] [ 3.08861010e-14 -1.27368821e-04 4.27359087e-05] [-1.75494488e-13 -4.27359078e-05 1.27368820e-04] [-1.25410424e-13 4.27359085e-05 -1.27368822e-04] [ 4.35440355e-04 2.03767789e-04 2.03767789e-04] [-2.83407064e-04 -2.50808893e-04 2.50808893e-04] [-2.83407065e-04 2.50808893e-04 -2.50808894e-04] [ 4.35440357e-04 -2.03767790e-04 -2.03767790e-04] [ 2.83407065e-04 2.50808893e-04 -2.50808894e-04] [-4.35440357e-04 -2.03767790e-04 -2.03767790e-04] [ 2.83407064e-04 -2.50808893e-04 2.50808893e-04] [-4.35440355e-04 2.03767788e-04 2.03767789e-04] [ 4.35440356e-04 2.03767790e-04 2.03767790e-04] [-2.83407065e-04 -2.50808894e-04 2.50808893e-04] [-2.83407065e-04 2.50808893e-04 -2.50808894e-04] [ 4.35440355e-04 -2.03767788e-04 -2.03767789e-04] [ 2.83407065e-04 2.50808893e-04 -2.50808894e-04] [-4.35440355e-04 -2.03767789e-04 -2.03767789e-04] [ 2.83407065e-04 -2.50808894e-04 2.50808893e-04] [-4.35440356e-04 2.03767790e-04 2.03767790e-04] [-1.19931842e-13 -1.37242301e-12 -1.32396177e-12] [ 1.47757440e-13 -5.04073044e-13 1.48522799e-12] [ 2.04114503e-13 -5.08334871e-04 -5.08334815e-04] [ 3.99014155e-13 -6.39831724e-04 6.39831770e-04] [-6.94444502e-14 6.39831724e-04 -6.39831771e-04] [ 2.83273405e-13 5.08334864e-04 5.08334821e-04] [-1.58360946e-04 1.22999873e-05 -1.54248160e-04] [-1.58360941e-04 -1.22999861e-05 1.54248164e-04] [ 1.58360947e-04 1.22999871e-05 -1.54248159e-04] [ 1.58360941e-04 -1.22999868e-05 1.54248163e-04] [-1.58360987e-04 -1.54248120e-04 1.22999882e-05] [ 1.58360987e-04 -1.54248119e-04 1.22999887e-05] [-1.58360984e-04 1.54248122e-04 -1.22999845e-05] [ 1.58360984e-04 1.54248121e-04 -1.22999846e-05] [-5.14959599e-13 -5.08334822e-04 -5.08334863e-04] [-8.29021919e-13 -6.39831771e-04 6.39831724e-04] [-5.68888066e-13 6.39831763e-04 -6.39831732e-04] [-5.04283668e-13 5.08334824e-04 5.08334862e-04] [-1.58360986e-04 1.22999865e-05 -1.54248119e-04] [-1.58360990e-04 -1.22999860e-05 1.54248117e-04] [ 1.58360986e-04 1.22999864e-05 -1.54248119e-04] [ 1.58360989e-04 -1.22999859e-05 1.54248118e-04] [-1.58360943e-04 -1.54248162e-04 1.22999852e-05] [ 1.58360942e-04 -1.54248163e-04 1.22999851e-05] [-1.58360941e-04 1.54248165e-04 -1.22999896e-05] [ 1.58360941e-04 1.54248165e-04 -1.22999895e-05]] Final stress: [ 2.11210753e-05 3.19023214e-05 3.19023214e-05 -4.19257665e-05 -2.86722512e-16 4.81014741e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 9.77018446e-03 5.19670418e-12 3.06088488e-13] [-9.77018445e-03 -2.95892477e-12 -1.25746635e-12] [-1.78733417e-12 -2.78662201e-04 3.36006406e-03] [ 4.69786710e-12 2.78662200e-04 -3.36006406e-03] [-2.99218983e-12 3.36006406e-03 -2.78662199e-04] [ 2.47242504e-12 -3.36006406e-03 2.78662205e-04] [ 9.77018446e-03 -6.55393726e-13 -5.23538451e-12] [-9.77018447e-03 -2.35105017e-12 6.73080347e-12] [ 2.23176004e-12 -2.78662210e-04 3.36006406e-03] [ 8.22367966e-12 2.78662201e-04 -3.36006406e-03] [-1.31893120e-12 3.36006407e-03 -2.78662213e-04] [-6.12742507e-12 -3.36006407e-03 2.78662196e-04] [-7.96237884e-03 -5.26115076e-03 -5.26115077e-03] [ 4.42568735e-03 3.16207390e-03 -3.16207388e-03] [ 4.42568733e-03 -3.16207389e-03 3.16207388e-03] [-7.96237884e-03 5.26115075e-03 5.26115076e-03] [-4.42568734e-03 -3.16207388e-03 3.16207388e-03] [ 7.96237883e-03 5.26115075e-03 5.26115076e-03] [-4.42568734e-03 3.16207389e-03 -3.16207388e-03] [ 7.96237884e-03 -5.26115076e-03 -5.26115076e-03] [-7.96237884e-03 -5.26115075e-03 -5.26115075e-03] [ 4.42568734e-03 3.16207388e-03 -3.16207388e-03] [ 4.42568734e-03 -3.16207389e-03 3.16207388e-03] [-7.96237885e-03 5.26115076e-03 5.26115076e-03] [-4.42568735e-03 -3.16207389e-03 3.16207389e-03] [ 7.96237885e-03 5.26115076e-03 5.26115076e-03] [-4.42568734e-03 3.16207389e-03 -3.16207388e-03] [ 7.96237884e-03 -5.26115076e-03 -5.26115076e-03] [-1.65228942e-12 1.37237444e-12 -5.93222693e-12] [ 2.90966856e-12 3.66581913e-12 1.08847750e-11] [ 2.62218025e-12 1.95331477e-03 1.95331483e-03] [-3.15497628e-12 9.00777643e-03 -9.00777631e-03] [-1.41998635e-11 -9.00777637e-03 9.00777636e-03] [-1.06112341e-11 -1.95331475e-03 -1.95331486e-03] [ 6.26622136e-04 -1.84652768e-03 1.40384235e-03] [ 6.26622180e-04 1.84652771e-03 -1.40384232e-03] [-6.26622133e-04 -1.84652768e-03 1.40384236e-03] [-6.26622154e-04 1.84652771e-03 -1.40384234e-03] [ 6.26622024e-04 1.40384247e-03 -1.84652769e-03] [-6.26622072e-04 1.40384241e-03 -1.84652768e-03] [ 6.26622057e-04 -1.40384245e-03 1.84652771e-03] [-6.26622096e-04 -1.40384240e-03 1.84652770e-03] [ 3.50886968e-12 1.95331486e-03 1.95331476e-03] [ 2.27535082e-12 9.00777629e-03 -9.00777643e-03] [ 4.94506756e-12 -9.00777634e-03 9.00777639e-03] [ 1.27354342e-11 -1.95331484e-03 -1.95331476e-03] [ 6.26622087e-04 -1.84652771e-03 1.40384240e-03] [ 6.26622074e-04 1.84652769e-03 -1.40384241e-03] [-6.26622038e-04 -1.84652771e-03 1.40384245e-03] [-6.26622026e-04 1.84652769e-03 -1.40384246e-03] [ 6.26622160e-04 1.40384234e-03 -1.84652769e-03] [-6.26622177e-04 1.40384232e-03 -1.84652771e-03] [ 6.26622109e-04 -1.40384238e-03 1.84652769e-03] [-6.26622118e-04 -1.40384237e-03 1.84652767e-03]] Final stress: [-1.94753027e-05 -4.32881972e-05 -4.32881971e-05 3.35890473e-05 4.82997663e-15 1.43138370e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 8.07070369e-04 -1.93636773e-13 3.01841885e-13] [-8.07070370e-04 3.99041911e-13 6.86534163e-14] [ 1.42275081e-13 -6.92603338e-05 -1.76240763e-04] [-3.88841737e-13 6.92603337e-05 1.76240763e-04] [ 3.42378903e-13 -1.76240763e-04 -6.92603336e-05] [-2.04461448e-13 1.76240764e-04 6.92603354e-05] [ 8.07070370e-04 1.75429536e-13 -1.18080767e-13] [-8.07070368e-04 6.77847400e-14 2.55299362e-13] [-2.53495157e-14 -6.92603352e-05 -1.76240764e-04] [-2.05444196e-13 6.92603340e-05 1.76240764e-04] [-2.81157554e-13 -1.76240763e-04 -6.92603362e-05] [-4.65986990e-13 1.76240764e-04 6.92603334e-05] [-3.32430377e-04 -2.68086513e-04 -2.68086512e-04] [ 6.04506537e-04 3.64332065e-04 -3.64332064e-04] [ 6.04506536e-04 -3.64332065e-04 3.64332064e-04] [-3.32430376e-04 2.68086511e-04 2.68086512e-04] [-6.04506536e-04 -3.64332063e-04 3.64332063e-04] [ 3.32430376e-04 2.68086513e-04 2.68086513e-04] [-6.04506536e-04 3.64332064e-04 -3.64332064e-04] [ 3.32430380e-04 -2.68086514e-04 -2.68086514e-04] [-3.32430377e-04 -2.68086513e-04 -2.68086513e-04] [ 6.04506535e-04 3.64332063e-04 -3.64332064e-04] [ 6.04506537e-04 -3.64332064e-04 3.64332064e-04] [-3.32430379e-04 2.68086514e-04 2.68086513e-04] [-6.04506537e-04 -3.64332065e-04 3.64332064e-04] [ 3.32430377e-04 2.68086513e-04 2.68086512e-04] [-6.04506536e-04 3.64332064e-04 -3.64332064e-04] [ 3.32430377e-04 -2.68086512e-04 -2.68086512e-04] [ 1.22342414e-12 3.97022692e-13 -8.90329477e-13] [-1.69873168e-12 1.07597425e-12 2.13965693e-12] [-1.57990288e-12 -6.94953432e-04 -6.94953427e-04] [-1.46532786e-12 -3.66124573e-04 3.66124581e-04] [-1.60294000e-12 3.66124577e-04 -3.66124577e-04] [-1.13531406e-12 6.94953428e-04 6.94953430e-04] [ 1.26672743e-04 7.78663620e-05 1.34930877e-04] [ 1.26672747e-04 -7.78663618e-05 -1.34930874e-04] [-1.26672745e-04 7.78663616e-05 1.34930875e-04] [-1.26672749e-04 -7.78663624e-05 -1.34930872e-04] [ 1.26672744e-04 1.34930876e-04 7.78663635e-05] [-1.26672745e-04 1.34930874e-04 7.78663629e-05] [ 1.26672745e-04 -1.34930876e-04 -7.78663593e-05] [-1.26672748e-04 -1.34930873e-04 -7.78663596e-05] [ 1.21394962e-12 -6.94953428e-04 -6.94953431e-04] [ 4.97405811e-13 -3.66124578e-04 3.66124575e-04] [ 1.57332103e-12 3.66124574e-04 -3.66124578e-04] [ 6.84463438e-13 6.94953431e-04 6.94953428e-04] [ 1.26672747e-04 7.78663612e-05 1.34930872e-04] [ 1.26672744e-04 -7.78663628e-05 -1.34930875e-04] [-1.26672746e-04 7.78663614e-05 1.34930875e-04] [-1.26672741e-04 -7.78663625e-05 -1.34930878e-04] [ 1.26672747e-04 1.34930872e-04 7.78663594e-05] [-1.26672746e-04 1.34930875e-04 7.78663596e-05] [ 1.26672748e-04 -1.34930871e-04 -7.78663634e-05] [-1.26672746e-04 -1.34930875e-04 -7.78663636e-05]] Final stress: [-3.10607770e-05 -4.05504795e-05 -4.05504795e-05 -4.17732976e-05 -3.05227690e-16 -2.53447992e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.23403727e-03 1.92471039e-13 2.57902275e-04] [ 1.23403727e-03 -6.17284002e-14 -2.57902276e-04] [-1.87669325e-13 1.34551166e-04 -6.11177775e-13] [ 1.39194212e-14 -1.34551164e-04 -1.39624423e-13] [ 2.61139216e-04 -1.00003339e-13 1.29994150e-04] [-2.61139216e-04 -8.15722490e-13 -1.29994151e-04] [-1.23403727e-03 2.38391369e-13 2.57902275e-04] [ 1.23403726e-03 2.87992049e-13 -2.57902275e-04] [ 2.26312169e-13 1.34551163e-04 5.99953947e-13] [ 2.84887755e-13 -1.34551166e-04 8.06962936e-14] [ 2.61139216e-04 -2.90979464e-13 1.29994151e-04] [-2.61139217e-04 4.60296040e-13 -1.29994150e-04] [ 6.66693439e-04 2.27729340e-04 3.86793335e-04] [-6.67169937e-04 -5.67363306e-04 4.00781293e-04] [-6.66693440e-04 2.27729341e-04 -3.86793337e-04] [ 6.67169937e-04 -5.67363304e-04 -4.00781293e-04] [ 6.67169936e-04 5.67363304e-04 -4.00781291e-04] [-6.66693442e-04 -2.27729343e-04 -3.86793340e-04] [ 6.66693441e-04 -2.27729341e-04 3.86793336e-04] [-6.67169936e-04 5.67363305e-04 4.00781293e-04] [ 6.66693442e-04 2.27729343e-04 3.86793339e-04] [-6.67169936e-04 -5.67363304e-04 4.00781292e-04] [-6.66693440e-04 2.27729340e-04 -3.86793336e-04] [ 6.67169937e-04 -5.67363306e-04 -4.00781292e-04] [ 6.67169937e-04 5.67363306e-04 -4.00781293e-04] [-6.66693439e-04 -2.27729340e-04 -3.86793335e-04] [ 6.66693439e-04 -2.27729341e-04 3.86793337e-04] [-6.67169937e-04 5.67363305e-04 4.00781292e-04] [-2.18931817e-12 -1.75002374e-12 -1.14339094e-13] [ 3.11493218e-12 2.12454428e-12 -2.48504125e-14] [-1.60535935e-04 2.50225880e-04 2.51048068e-04] [-1.60535936e-04 -2.50225873e-04 2.51048077e-04] [ 1.60535942e-04 2.50225870e-04 -2.51048076e-04] [ 1.60535942e-04 -2.50225866e-04 -2.51048082e-04] [ 6.90426247e-04 2.00517380e-12 6.90364670e-04] [-1.12135448e-03 2.11586304e-12 1.13421423e-03] [ 1.12135449e-03 1.28091981e-12 -1.13421423e-03] [-6.90426239e-04 2.30726549e-12 -6.90364679e-04] [-2.11101947e-04 -2.18349363e-04 -1.65937515e-04] [ 2.11101951e-04 -2.18349356e-04 1.65937513e-04] [-2.11101944e-04 2.18349364e-04 -1.65937517e-04] [ 2.11101949e-04 2.18349357e-04 1.65937512e-04] [-1.60535944e-04 2.50225828e-04 2.51048120e-04] [-1.60535943e-04 -2.50225830e-04 2.51048117e-04] [ 1.60535937e-04 2.50225830e-04 -2.51048118e-04] [ 1.60535937e-04 -2.50225831e-04 -2.51048116e-04] [ 6.90426281e-04 -1.11472547e-12 6.90364637e-04] [-1.12135444e-03 -2.73124320e-12 1.13421427e-03] [ 1.12135444e-03 -1.49604232e-12 -1.13421427e-03] [-6.90426293e-04 -3.34399097e-12 -6.90364624e-04] [-2.11101990e-04 -2.18349317e-04 -1.65937511e-04] [ 2.11101984e-04 -2.18349324e-04 1.65937514e-04] [-2.11101996e-04 2.18349311e-04 -1.65937509e-04] [ 2.11101991e-04 2.18349319e-04 1.65937516e-04]] Final stress: [ 2.05276855e-05 3.20969187e-05 3.19509772e-05 -1.81716680e-16 4.12819119e-05 6.88511296e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-8.11102899e-04 -2.56294985e-13 7.00465740e-05] [ 8.11102898e-04 8.69165850e-14 -7.00465740e-05] [ 9.66587921e-14 1.35001914e-04 1.70446990e-13] [ 9.88792381e-14 -1.35001914e-04 8.34193825e-14] [ 6.94875231e-05 -2.33729702e-13 1.33616846e-04] [-6.94875230e-05 -3.66512376e-14 -1.33616845e-04] [-8.11102898e-04 2.73636314e-13 7.00465737e-05] [ 8.11102899e-04 -5.46449415e-15 -7.00465739e-05] [-4.95896047e-13 1.35001914e-04 1.11293651e-13] [-1.52664326e-13 -1.35001914e-04 6.99302947e-15] [ 6.94875228e-05 1.10700102e-13 1.33616844e-04] [-6.94875233e-05 -1.90379450e-13 -1.33616846e-04] [ 2.33515812e-04 2.79968321e-04 1.06321379e-04] [-4.21767110e-04 -1.18731460e-04 2.88956341e-04] [-2.33515812e-04 2.79968321e-04 -1.06321379e-04] [ 4.21767113e-04 -1.18731462e-04 -2.88956342e-04] [ 4.21767112e-04 1.18731461e-04 -2.88956341e-04] [-2.33515812e-04 -2.79968322e-04 -1.06321379e-04] [ 2.33515812e-04 -2.79968321e-04 1.06321380e-04] [-4.21767111e-04 1.18731459e-04 2.88956341e-04] [ 2.33515812e-04 2.79968321e-04 1.06321380e-04] [-4.21767112e-04 -1.18731461e-04 2.88956341e-04] [-2.33515812e-04 2.79968322e-04 -1.06321380e-04] [ 4.21767111e-04 -1.18731460e-04 -2.88956341e-04] [ 4.21767111e-04 1.18731460e-04 -2.88956341e-04] [-2.33515812e-04 -2.79968321e-04 -1.06321379e-04] [ 2.33515812e-04 -2.79968321e-04 1.06321379e-04] [-4.21767112e-04 1.18731461e-04 2.88956342e-04] [ 7.04845904e-13 -8.71705486e-13 -7.00349501e-13] [-9.78145606e-13 3.17376563e-13 1.63325299e-12] [-5.98417605e-05 -2.72632421e-05 -2.69060853e-05] [-5.98417601e-05 2.72632423e-05 -2.69060849e-05] [ 5.98417593e-05 -2.72632362e-05 2.69060896e-05] [ 5.98417596e-05 2.72632367e-05 2.69060890e-05] [-9.41445509e-04 9.78828130e-13 -9.59973490e-04] [ 5.50449778e-04 2.20934382e-13 -5.42662052e-04] [-5.50449776e-04 5.18085574e-13 5.42662053e-04] [ 9.41445504e-04 -9.49240686e-15 9.59973495e-04] [-1.93387926e-04 -2.06883481e-04 -5.44047095e-05] [ 1.93387926e-04 -2.06883481e-04 5.44047121e-05] [-1.93387927e-04 2.06883481e-04 -5.44047087e-05] [ 1.93387927e-04 2.06883481e-04 5.44047129e-05] [-5.98417594e-05 -2.72632475e-05 -2.69060784e-05] [-5.98417599e-05 2.72632488e-05 -2.69060778e-05] [ 5.98417609e-05 -2.72632514e-05 2.69060749e-05] [ 5.98417604e-05 2.72632508e-05 2.69060760e-05] [-9.41445494e-04 -1.17381623e-13 -9.59973505e-04] [ 5.50449785e-04 -3.02946564e-14 -5.42662044e-04] [-5.50449790e-04 1.71980933e-13 5.42662040e-04] [ 9.41445499e-04 4.81788171e-13 9.59973501e-04] [-1.93387936e-04 -2.06883472e-04 -5.44047128e-05] [ 1.93387937e-04 -2.06883470e-04 5.44047086e-05] [-1.93387936e-04 2.06883471e-04 -5.44047130e-05] [ 1.93387938e-04 2.06883469e-04 5.44047082e-05]] Final stress: [ 1.99257859e-05 3.26177289e-05 3.25328449e-05 -1.75009720e-16 -4.21291359e-05 3.37548688e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 2.93809316e-03 1.60978175e-12 1.15466516e-03] [-2.93809317e-03 1.79491144e-12 -1.15466516e-03] [ 1.32407973e-13 -8.38338548e-05 -1.86264892e-12] [-2.44831933e-13 8.38338495e-05 -8.35914671e-13] [ 1.14341502e-03 1.26833266e-12 -9.94579565e-05] [-1.14341502e-03 -5.18293741e-13 9.94579697e-05] [ 2.93809317e-03 -4.89344263e-13 1.15466516e-03] [-2.93809316e-03 -7.41823784e-13 -1.15466516e-03] [ 2.01437933e-14 -8.38338484e-05 -1.59406603e-13] [ 7.60343259e-13 8.38338560e-05 -2.97895077e-13] [ 1.14341502e-03 -1.60375650e-12 -9.94579733e-05] [-1.14341502e-03 -8.22075372e-13 9.94579579e-05] [-2.41410621e-03 -1.85275208e-03 -1.72140145e-03] [ 1.63080929e-03 8.07954516e-04 -9.73987541e-04] [ 2.41410621e-03 -1.85275208e-03 1.72140145e-03] [-1.63080928e-03 8.07954506e-04 9.73987534e-04] [-1.63080927e-03 -8.07954500e-04 9.73987529e-04] [ 2.41410621e-03 1.85275208e-03 1.72140145e-03] [-2.41410622e-03 1.85275209e-03 -1.72140145e-03] [ 1.63080928e-03 -8.07954513e-04 -9.73987537e-04] [-2.41410621e-03 -1.85275208e-03 -1.72140145e-03] [ 1.63080927e-03 8.07954500e-04 -9.73987525e-04] [ 2.41410622e-03 -1.85275209e-03 1.72140145e-03] [-1.63080928e-03 8.07954513e-04 9.73987536e-04] [-1.63080929e-03 -8.07954519e-04 9.73987542e-04] [ 2.41410621e-03 1.85275208e-03 1.72140145e-03] [-2.41410621e-03 1.85275208e-03 -1.72140145e-03] [ 1.63080928e-03 -8.07954504e-04 -9.73987534e-04] [ 8.03651590e-12 6.61638105e-12 -1.11225959e-11] [-2.96819531e-12 -6.89669026e-12 1.12830585e-11] [-6.63398103e-04 -1.12284243e-03 -1.11600581e-03] [-6.63398108e-04 1.12284244e-03 -1.11600580e-03] [ 6.63398092e-04 -1.12284241e-03 1.11600582e-03] [ 6.63398093e-04 1.12284242e-03 1.11600582e-03] [ 1.77032369e-03 3.37563311e-13 1.79549652e-03] [-1.30035039e-03 -4.18554080e-13 1.25625332e-03] [ 1.30035040e-03 -9.11271059e-13 -1.25625333e-03] [-1.77032373e-03 -1.83308924e-12 -1.79549648e-03] [ 2.51275300e-04 2.78939908e-04 -6.58323510e-04] [-2.51275307e-04 2.78939897e-04 6.58323530e-04] [ 2.51275300e-04 -2.78939909e-04 -6.58323509e-04] [-2.51275307e-04 -2.78939897e-04 6.58323532e-04] [-6.63398089e-04 -1.12284255e-03 -1.11600569e-03] [-6.63398090e-04 1.12284255e-03 -1.11600568e-03] [ 6.63398105e-04 -1.12284257e-03 1.11600567e-03] [ 6.63398104e-04 1.12284257e-03 1.11600567e-03] [ 1.77032386e-03 -2.12140236e-12 1.79549635e-03] [-1.30035027e-03 1.42395963e-12 1.25625346e-03] [ 1.30035025e-03 -2.16637510e-13 -1.25625347e-03] [-1.77032383e-03 -1.87108760e-12 -1.79549637e-03] [ 2.51275175e-04 2.78940026e-04 -6.58323533e-04] [-2.51275159e-04 2.78940048e-04 6.58323512e-04] [ 2.51275171e-04 -2.78940032e-04 -6.58323531e-04] [-2.51275155e-04 -2.78940053e-04 6.58323512e-04]] Final stress: [-3.06392550e-05 -3.90989327e-05 -3.96523254e-05 -7.48604451e-16 3.93293885e-05 -2.50513111e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 7.57131490e-04 7.45375983e-14 -4.53241836e-05] [-7.57131487e-04 -1.52725055e-13 4.53241834e-05] [-3.68580166e-13 -7.36329010e-05 4.02677891e-13] [-1.14348808e-12 7.36329033e-05 1.42524881e-13] [-4.41265589e-05 -2.49050780e-13 -7.52258234e-05] [ 4.41265575e-05 -1.73014381e-13 7.52258218e-05] [ 7.57131487e-04 5.50989735e-13 -4.53241843e-05] [-7.57131489e-04 -5.42824161e-13 4.53241841e-05] [ 5.75739952e-13 -7.36329022e-05 7.20062580e-14] [ 3.04766791e-13 7.36329020e-05 3.47302279e-14] [-4.41265566e-05 -8.69583819e-14 -7.52258219e-05] [ 4.41265576e-05 2.68547744e-13 7.52258226e-05] [-3.91856263e-04 -1.51452006e-04 -2.62081629e-04] [ 4.06647109e-04 3.79048601e-04 -2.70289471e-04] [ 3.91856263e-04 -1.51452005e-04 2.62081629e-04] [-4.06647113e-04 3.79048606e-04 2.70289475e-04] [-4.06647111e-04 -3.79048604e-04 2.70289473e-04] [ 3.91856260e-04 1.51452003e-04 2.62081627e-04] [-3.91856263e-04 1.51452005e-04 -2.62081630e-04] [ 4.06647110e-04 -3.79048603e-04 -2.70289473e-04] [-3.91856261e-04 -1.51452003e-04 -2.62081625e-04] [ 4.06647111e-04 3.79048604e-04 -2.70289475e-04] [ 3.91856264e-04 -1.51452006e-04 2.62081629e-04] [-4.06647110e-04 3.79048603e-04 2.70289473e-04] [-4.06647107e-04 -3.79048601e-04 2.70289471e-04] [ 3.91856264e-04 1.51452006e-04 2.62081630e-04] [-3.91856264e-04 1.51452005e-04 -2.62081629e-04] [ 4.06647113e-04 -3.79048606e-04 -2.70289476e-04] [-4.11506940e-12 -2.09422063e-12 1.31126360e-12] [ 2.35408022e-12 -6.97617230e-14 -5.29223712e-13] [ 1.32268725e-05 -4.73567966e-05 -4.73761355e-05] [ 1.32268722e-05 4.73567972e-05 -4.73761355e-05] [-1.32268699e-05 -4.73567997e-05 4.73761327e-05] [-1.32268690e-05 4.73567992e-05 4.73761337e-05] [-3.93809165e-04 1.59267044e-12 -3.93474558e-04] [ 7.27115829e-04 1.04311004e-12 -7.19713467e-04] [-7.27115828e-04 -7.13151760e-13 7.19713470e-04] [ 3.93809167e-04 8.03690448e-13 3.93474556e-04] [ 1.68214495e-04 1.64687855e-04 9.36957838e-06] [-1.68214496e-04 1.64687856e-04 -9.36958005e-06] [ 1.68214497e-04 -1.64687854e-04 9.36957829e-06] [-1.68214495e-04 -1.64687856e-04 -9.36957964e-06] [ 1.32268687e-05 -4.73567992e-05 -4.73761335e-05] [ 1.32268687e-05 4.73567984e-05 -4.73761353e-05] [-1.32268703e-05 -4.73567990e-05 4.73761337e-05] [-1.32268714e-05 4.73567982e-05 4.73761349e-05] [-3.93809167e-04 -2.99261280e-14 -3.93474556e-04] [ 7.27115829e-04 5.90739928e-13 -7.19713469e-04] [-7.27115827e-04 -1.72684303e-13 7.19713468e-04] [ 3.93809163e-04 -7.57788488e-13 3.93474561e-04] [ 1.68214495e-04 1.64687857e-04 9.36958074e-06] [-1.68214497e-04 1.64687854e-04 -9.36957966e-06] [ 1.68214495e-04 -1.64687857e-04 9.36958223e-06] [-1.68214495e-04 -1.64687854e-04 -9.36957979e-06]] Final stress: [-3.02117821e-05 -4.09857091e-05 -4.10272528e-05 2.40031391e-16 -4.20327162e-05 -2.09215134e-15] Minimization converged after 61 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-6.47781635e-04 -7.95145018e-05 7.10126402e-14] [ 6.47781635e-04 7.95145018e-05 -7.86454235e-14] [-8.02597229e-05 1.07748012e-04 1.44037560e-13] [ 8.02597229e-05 -1.07748013e-04 1.50116031e-13] [-6.76958489e-14 5.96744876e-16 1.09333861e-04] [-2.70963807e-13 -1.64313008e-14 -1.09333862e-04] [-6.47781634e-04 -7.95145019e-05 -2.25119540e-13] [ 6.47781635e-04 7.95145019e-05 -2.85050114e-13] [-8.02597229e-05 1.07748013e-04 -5.23290630e-15] [ 8.02597232e-05 -1.07748013e-04 -6.90592061e-14] [ 1.45487063e-14 -6.41591900e-14 1.09333862e-04] [ 9.69351010e-14 -6.89898713e-14 -1.09333861e-04] [ 2.61477893e-04 1.49966544e-04 2.71024381e-04] [-2.61477893e-04 -1.49966544e-04 2.71024380e-04] [-3.32296014e-04 2.14078581e-04 -9.51368871e-05] [ 3.32296013e-04 -2.14078581e-04 -9.51368869e-05] [ 2.61477893e-04 1.49966543e-04 -2.71024381e-04] [-2.61477893e-04 -1.49966544e-04 -2.71024381e-04] [ 3.32296015e-04 -2.14078582e-04 9.51368880e-05] [-3.32296015e-04 2.14078582e-04 9.51368877e-05] [ 2.61477893e-04 1.49966544e-04 2.71024381e-04] [-2.61477893e-04 -1.49966544e-04 2.71024381e-04] [-3.32296015e-04 2.14078582e-04 -9.51368878e-05] [ 3.32296015e-04 -2.14078582e-04 -9.51368877e-05] [ 2.61477893e-04 1.49966543e-04 -2.71024381e-04] [-2.61477893e-04 -1.49966544e-04 -2.71024381e-04] [ 3.32296014e-04 -2.14078581e-04 9.51368870e-05] [-3.32296014e-04 2.14078581e-04 9.51368871e-05] [ 1.34496581e-13 3.06872583e-13 5.30013533e-13] [-6.60174467e-14 -2.41887875e-14 -4.43591725e-13] [ 1.81158287e-05 5.48679665e-05 5.48425015e-05] [-1.81158297e-05 -5.48679665e-05 5.48425014e-05] [ 1.81158283e-05 5.48679646e-05 -5.48425030e-05] [-1.81158294e-05 -5.48679644e-05 -5.48425032e-05] [-1.56106847e-04 2.21814166e-05 -9.96050387e-05] [-1.56106846e-04 2.21814167e-05 9.96050393e-05] [ 1.56106846e-04 -2.21814170e-05 -9.96050400e-05] [ 1.56106846e-04 -2.21814165e-05 9.96050401e-05] [-7.03716835e-04 -6.51107282e-04 -2.89823721e-13] [-3.88512716e-04 4.48932472e-04 -6.51811938e-13] [ 3.88512715e-04 -4.48932474e-04 -3.30346861e-13] [ 7.03716834e-04 6.51107284e-04 -6.11510842e-13] [ 1.81158298e-05 5.48679678e-05 5.48425000e-05] [-1.81158283e-05 -5.48679680e-05 5.48424997e-05] [ 1.81158297e-05 5.48679682e-05 -5.48425000e-05] [-1.81158283e-05 -5.48679679e-05 -5.48425001e-05] [-1.56106849e-04 2.21814162e-05 -9.96050367e-05] [-1.56106847e-04 2.21814168e-05 9.96050383e-05] [ 1.56106850e-04 -2.21814162e-05 -9.96050353e-05] [ 1.56106848e-04 -2.21814162e-05 9.96050369e-05] [-7.03716832e-04 -6.51107286e-04 2.84808754e-13] [-3.88512719e-04 4.48932470e-04 4.50574050e-13] [ 3.88512719e-04 -4.48932470e-04 7.76744781e-13] [ 7.03716832e-04 6.51107285e-04 1.52015797e-13]] Final stress: [ 2.13247656e-05 3.19267509e-05 3.19697289e-05 -1.43990034e-16 -2.27617433e-16 -4.18628538e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.80883980e-04 -1.43049794e-04 1.06567533e-13] [-5.80883980e-04 1.43049795e-04 4.13419299e-14] [-1.42736872e-04 -7.36748673e-05 2.63677968e-16] [ 1.42736872e-04 7.36748666e-05 -7.80903120e-14] [ 1.20514709e-13 -5.63160629e-14 -7.33536866e-05] [-1.22790667e-13 -1.34711686e-13 7.33536874e-05] [ 5.80883980e-04 -1.43049794e-04 -1.02399041e-13] [-5.80883980e-04 1.43049794e-04 3.45307414e-13] [-1.42736873e-04 -7.36748670e-05 -9.61107159e-14] [ 1.42736872e-04 7.36748670e-05 8.22872925e-14] [-7.85433134e-14 -1.36160336e-13 -7.33536875e-05] [-1.36110937e-13 -2.96341646e-13 7.33536866e-05] [-1.83048024e-04 -1.12030350e-04 -2.59127203e-04] [ 1.83048025e-04 1.12030350e-04 -2.59127204e-04] [ 2.45128615e-04 -1.76772064e-04 2.80905418e-05] [-2.45128615e-04 1.76772064e-04 2.80905417e-05] [-1.83048023e-04 -1.12030349e-04 2.59127203e-04] [ 1.83048024e-04 1.12030349e-04 2.59127203e-04] [-2.45128616e-04 1.76772064e-04 -2.80905418e-05] [ 2.45128615e-04 -1.76772064e-04 -2.80905416e-05] [-1.83048024e-04 -1.12030349e-04 -2.59127203e-04] [ 1.83048023e-04 1.12030349e-04 -2.59127203e-04] [ 2.45128616e-04 -1.76772064e-04 2.80905419e-05] [-2.45128615e-04 1.76772064e-04 2.80905414e-05] [-1.83048025e-04 -1.12030350e-04 2.59127204e-04] [ 1.83048024e-04 1.12030350e-04 2.59127203e-04] [-2.45128616e-04 1.76772064e-04 -2.80905418e-05] [ 2.45128615e-04 -1.76772064e-04 -2.80905417e-05] [ 1.02487463e-14 4.53942439e-13 -5.37771216e-13] [-3.09977670e-13 -6.14479492e-13 5.94207112e-13] [ 4.71746455e-05 1.51016296e-04 1.50857583e-04] [-4.71746452e-05 -1.51016295e-04 1.50857584e-04] [ 4.71746456e-05 1.51016301e-04 -1.50857579e-04] [-4.71746447e-05 -1.51016300e-04 -1.50857580e-04] [ 1.91773888e-04 5.18314148e-05 2.10322727e-04] [ 1.91773889e-04 5.18314146e-05 -2.10322726e-04] [-1.91773887e-04 -5.18314154e-05 2.10322728e-04] [-1.91773888e-04 -5.18314152e-05 -2.10322727e-04] [ 7.99105384e-04 8.13696982e-04 1.57546198e-12] [ 4.17840288e-04 -3.94994105e-04 1.21325172e-12] [-4.17840290e-04 3.94994103e-04 1.44489976e-12] [-7.99105381e-04 -8.13696984e-04 1.39577239e-12] [ 4.71746449e-05 1.51016317e-04 1.50857562e-04] [-4.71746454e-05 -1.51016315e-04 1.50857565e-04] [ 4.71746451e-05 1.51016316e-04 -1.50857563e-04] [-4.71746458e-05 -1.51016314e-04 -1.50857566e-04] [ 1.91773873e-04 5.18314154e-05 2.10322742e-04] [ 1.91773868e-04 5.18314156e-05 -2.10322746e-04] [-1.91773873e-04 -5.18314144e-05 2.10322742e-04] [-1.91773868e-04 -5.18314144e-05 -2.10322747e-04] [ 7.99105399e-04 8.13696966e-04 -1.49913500e-12] [ 4.17840271e-04 -3.94994123e-04 -8.37066209e-13] [-4.17840273e-04 3.94994120e-04 -1.60648218e-12] [-7.99105400e-04 -8.13696966e-04 -1.31135951e-12]] Final stress: [-2.93224943e-05 -4.16588009e-05 -4.16131161e-05 -1.13202577e-16 7.92418041e-17 4.24464132e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 2.60921784e-03 -9.79056023e-04 1.54989910e-12] [-2.60921785e-03 9.79056023e-04 -1.10747522e-12] [-9.69380283e-04 -1.01140257e-04 2.43041698e-12] [ 9.69380281e-04 1.01140250e-04 1.04638520e-12] [-1.51262336e-12 1.47636070e-12 -8.80527173e-05] [ 3.43128304e-13 1.72915848e-12 8.80527167e-05] [ 2.60921785e-03 -9.79056022e-04 -8.80131112e-13] [-2.60921785e-03 9.79056024e-04 -1.30020371e-14] [-9.69380279e-04 -1.01140247e-04 -2.06441361e-12] [ 9.69380280e-04 1.01140255e-04 -9.47305250e-13] [ 1.80642992e-12 -2.56489772e-13 -8.80527170e-05] [-1.94159481e-13 -2.29877304e-12 8.80527182e-05] [-1.44336009e-03 -8.67548166e-04 -7.05434811e-04] [ 1.44336010e-03 8.67548174e-04 -7.05434816e-04] [ 2.09699791e-03 -1.48956871e-03 1.62421583e-03] [-2.09699792e-03 1.48956871e-03 1.62421583e-03] [-1.44336010e-03 -8.67548168e-04 7.05434812e-04] [ 1.44336010e-03 8.67548171e-04 7.05434819e-04] [-2.09699792e-03 1.48956871e-03 -1.62421582e-03] [ 2.09699791e-03 -1.48956871e-03 -1.62421582e-03] [-1.44336010e-03 -8.67548171e-04 -7.05434817e-04] [ 1.44336009e-03 8.67548167e-04 -7.05434814e-04] [ 2.09699791e-03 -1.48956871e-03 1.62421582e-03] [-2.09699790e-03 1.48956871e-03 1.62421582e-03] [-1.44336010e-03 -8.67548173e-04 7.05434818e-04] [ 1.44336009e-03 8.67548166e-04 7.05434809e-04] [-2.09699791e-03 1.48956871e-03 -1.62421582e-03] [ 2.09699791e-03 -1.48956871e-03 -1.62421583e-03] [ 2.52817905e-12 6.84857726e-12 3.12373044e-12] [-3.90212811e-12 -5.38132465e-12 -3.99004689e-12] [ 5.54862290e-04 -9.44358820e-04 -9.49482023e-04] [-5.54862300e-04 9.44358808e-04 -9.49482038e-04] [ 5.54862285e-04 -9.44358803e-04 9.49482037e-04] [-5.54862305e-04 9.44358797e-04 9.49482048e-04] [ 2.43708699e-04 5.49643503e-04 2.63680284e-04] [ 2.43708709e-04 5.49643500e-04 -2.63680272e-04] [-2.43708717e-04 -5.49643517e-04 2.63680258e-04] [-2.43708722e-04 -5.49643518e-04 -2.63680253e-04] [-1.16728428e-03 -1.13332579e-03 1.54326552e-12] [-1.62804540e-03 1.64449046e-03 4.86227725e-12] [ 1.62804536e-03 -1.64449050e-03 1.59450231e-12] [ 1.16728428e-03 1.13332580e-03 8.44763148e-12] [ 5.54862302e-04 -9.44358902e-04 -9.49481943e-04] [-5.54862282e-04 9.44358923e-04 -9.49481918e-04] [ 5.54862308e-04 -9.44358912e-04 9.49481935e-04] [-5.54862281e-04 9.44358931e-04 9.49481912e-04] [ 2.43708840e-04 5.49643520e-04 2.63680138e-04] [ 2.43708822e-04 5.49643522e-04 -2.63680155e-04] [-2.43708816e-04 -5.49643506e-04 2.63680165e-04] [-2.43708810e-04 -5.49643502e-04 -2.63680171e-04] [-1.16728439e-03 -1.13332569e-03 -1.77905435e-12] [-1.62804526e-03 1.64449060e-03 -4.55665036e-12] [ 1.62804528e-03 -1.64449058e-03 -4.29970855e-12] [ 1.16728439e-03 1.13332569e-03 -8.48170893e-12]] Final stress: [-3.04178999e-05 -3.99054774e-05 -3.94599746e-05 -1.98272218e-15 -5.51757747e-16 -3.97538609e-05] Minimization converged after 13 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.32793298e-04 1.81979432e-13 -1.49019685e-13] [-1.32793297e-04 -1.66727743e-13 -3.16718873e-13] [ 2.00436889e-13 -8.47561694e-04 -4.67157163e-05] [ 1.54667945e-13 8.47561692e-04 4.67157159e-05] [-1.18335897e-13 -4.59306412e-05 1.31148806e-04] [ 7.34412531e-14 4.59306416e-05 -1.31148808e-04] [ 1.32793296e-04 1.74339215e-14 1.58583687e-13] [-1.32793298e-04 -1.37429205e-13 1.10886831e-13] [-1.45108644e-13 -8.47561692e-04 -4.67157159e-05] [-2.86140442e-13 8.47561694e-04 4.67157162e-05] [ 7.08319444e-14 -4.59306411e-05 1.31148808e-04] [-1.46229464e-14 4.59306413e-05 -1.31148806e-04] [ 1.25202193e-04 4.44534628e-04 2.96304829e-04] [-3.03325067e-04 -2.70484275e-04 1.28506455e-04] [-3.03325067e-04 2.70484275e-04 -1.28506456e-04] [ 1.25202191e-04 -4.44534627e-04 -2.96304828e-04] [ 3.03325066e-04 2.70484274e-04 -1.28506455e-04] [-1.25202191e-04 -4.44534627e-04 -2.96304828e-04] [ 3.03325066e-04 -2.70484274e-04 1.28506454e-04] [-1.25202192e-04 4.44534628e-04 2.96304829e-04] [ 1.25202191e-04 4.44534627e-04 2.96304829e-04] [-3.03325066e-04 -2.70484274e-04 1.28506455e-04] [-3.03325066e-04 2.70484274e-04 -1.28506454e-04] [ 1.25202192e-04 -4.44534628e-04 -2.96304829e-04] [ 3.03325067e-04 2.70484275e-04 -1.28506455e-04] [-1.25202193e-04 -4.44534628e-04 -2.96304829e-04] [ 3.03325067e-04 -2.70484275e-04 1.28506455e-04] [-1.25202191e-04 4.44534627e-04 2.96304828e-04] [-6.25145768e-13 1.50823104e-12 7.88862031e-13] [ 8.07916858e-13 -7.46714143e-13 -4.53898534e-13] [ 1.71301862e-12 5.70744063e-04 5.47622565e-04] [ 1.75937043e-12 9.51071146e-04 -9.85100595e-04] [ 2.10764739e-12 -9.51071156e-04 9.85100585e-04] [ 1.52278190e-12 -5.70744062e-04 -5.47622564e-04] [-4.04561128e-06 4.36965587e-05 -3.64999649e-06] [-4.04561749e-06 -4.36965628e-05 3.64999150e-06] [ 4.04561451e-06 4.36965593e-05 -3.64999259e-06] [ 4.04562162e-06 -4.36965631e-05 3.64998657e-06] [-2.16823107e-04 -1.87872829e-04 3.82337941e-05] [ 2.16823111e-04 -1.87872825e-04 3.82337943e-05] [-2.16823110e-04 1.87872827e-04 -3.82337996e-05] [ 2.16823112e-04 1.87872824e-04 -3.82338002e-05] [-1.79119062e-12 5.70744028e-04 5.47622598e-04] [-2.43332614e-12 9.51071188e-04 -9.85100554e-04] [-1.89842561e-12 -9.51071179e-04 9.85100562e-04] [-1.63091022e-12 -5.70744033e-04 -5.47622595e-04] [-4.04558850e-06 4.36965627e-05 -3.65001976e-06] [-4.04558253e-06 -4.36965593e-05 3.65002452e-06] [ 4.04558538e-06 4.36965625e-05 -3.65002367e-06] [ 4.04558017e-06 -4.36965589e-05 3.65002760e-06] [-2.16823147e-04 -1.87872790e-04 3.82338003e-05] [ 2.16823144e-04 -1.87872794e-04 3.82337993e-05] [-2.16823141e-04 1.87872794e-04 -3.82337946e-05] [ 2.16823137e-04 1.87872798e-04 -3.82337946e-05]] Final stress: [ 3.25972636e-05 1.99525531e-05 3.25074556e-05 4.20695760e-05 -2.38935427e-17 -2.80539534e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.57807743e-04 2.13995488e-14 1.92970639e-13] [-1.57807746e-04 -8.03107580e-14 -1.16434640e-14] [ 2.46525023e-13 -8.52855687e-04 4.72067023e-05] [ 2.79137824e-13 8.52855688e-04 -4.72067025e-05] [ 1.74610326e-13 4.64794399e-05 1.56292265e-04] [ 4.30211422e-14 -4.64794398e-05 -1.56292267e-04] [ 1.57807745e-04 -7.74601424e-14 1.63511645e-13] [-1.57807744e-04 2.05439371e-14 5.01250381e-14] [ 9.35056614e-15 -8.52855689e-04 4.72067028e-05] [-7.95288043e-14 8.52855687e-04 -4.72067028e-05] [-2.35278290e-13 4.64794394e-05 1.56292267e-04] [-7.05842448e-14 -4.64794394e-05 -1.56292265e-04] [ 3.07211831e-04 2.66077240e-04 1.39432302e-04] [-1.24810604e-04 -4.21662071e-04 2.88851313e-04] [-1.24810603e-04 4.21662071e-04 -2.88851313e-04] [ 3.07211831e-04 -2.66077239e-04 -1.39432302e-04] [ 1.24810604e-04 4.21662072e-04 -2.88851313e-04] [-3.07211831e-04 -2.66077238e-04 -1.39432301e-04] [ 1.24810605e-04 -4.21662073e-04 2.88851314e-04] [-3.07211831e-04 2.66077239e-04 1.39432301e-04] [ 3.07211830e-04 2.66077238e-04 1.39432300e-04] [-1.24810604e-04 -4.21662071e-04 2.88851314e-04] [-1.24810605e-04 4.21662073e-04 -2.88851315e-04] [ 3.07211831e-04 -2.66077239e-04 -1.39432300e-04] [ 1.24810604e-04 4.21662071e-04 -2.88851313e-04] [-3.07211831e-04 -2.66077240e-04 -1.39432302e-04] [ 1.24810603e-04 -4.21662070e-04 2.88851313e-04] [-3.07211831e-04 2.66077239e-04 1.39432302e-04] [ 1.96372085e-12 -6.69957145e-13 1.05724457e-12] [-8.01599020e-13 7.27996116e-13 -8.31519145e-13] [-1.96692662e-12 -9.75527656e-04 -9.74061164e-04] [-1.69059211e-12 -5.60470236e-04 5.72961932e-04] [-2.08233430e-12 5.60470233e-04 -5.72961933e-04] [-2.33885133e-12 9.75527666e-04 9.74061156e-04] [-1.85330773e-05 -4.85614882e-05 -1.81609627e-05] [-1.85330828e-05 4.85614902e-05 1.81609588e-05] [ 1.85330745e-05 -4.85614871e-05 -1.81609668e-05] [ 1.85330804e-05 4.85614906e-05 1.81609622e-05] [-1.98616079e-04 -2.05243965e-04 -4.30724706e-05] [ 1.98616075e-04 -2.05243970e-04 -4.30724704e-05] [-1.98616076e-04 2.05243967e-04 4.30724662e-05] [ 1.98616072e-04 2.05243972e-04 4.30724661e-05] [ 1.80289987e-12 -9.75527670e-04 -9.74061152e-04] [ 2.09729091e-12 -5.60470230e-04 5.72961937e-04] [ 1.52177073e-12 5.60470232e-04 -5.72961936e-04] [ 2.43174884e-12 9.75527663e-04 9.74061158e-04] [-1.85330749e-05 -4.85614898e-05 -1.81609679e-05] [-1.85330694e-05 4.85614867e-05 1.81609720e-05] [ 1.85330791e-05 -4.85614899e-05 -1.81609623e-05] [ 1.85330734e-05 4.85614869e-05 1.81609669e-05] [-1.98616077e-04 -2.05243967e-04 -4.30724660e-05] [ 1.98616080e-04 -2.05243963e-04 -4.30724664e-05] [-1.98616081e-04 2.05243964e-04 4.30724718e-05] [ 1.98616083e-04 2.05243960e-04 4.30724719e-05]] Final stress: [ 3.26191946e-05 1.97620899e-05 3.25284781e-05 -4.20910127e-05 -2.48157496e-16 -2.36839502e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-5.06888206e-04 -3.90992794e-13 4.39592807e-13] [ 5.06888208e-04 8.34748937e-14 2.48495668e-13] [ 2.27012853e-13 2.01884978e-03 -2.64643421e-04] [-5.05706588e-13 -2.01884978e-03 2.64643422e-04] [ 1.42927337e-13 -2.67451148e-04 -5.08975889e-04] [ 3.96627176e-13 2.67451149e-04 5.08975894e-04] [-5.06888207e-04 1.85587114e-13 -1.69472052e-13] [ 5.06888206e-04 -2.27015462e-13 -4.13816130e-13] [-6.33140216e-13 2.01884978e-03 -2.64643422e-04] [-4.31115416e-13 -2.01884979e-03 2.64643421e-04] [ 9.33609338e-14 -2.67451148e-04 -5.08975894e-04] [ 2.79464569e-13 2.67451149e-04 5.08975889e-04] [-3.24075704e-04 -3.39139998e-04 1.12631650e-05] [ 6.31746313e-04 1.33103719e-03 -9.84330328e-04] [ 6.31746312e-04 -1.33103719e-03 9.84330329e-04] [-3.24075701e-04 3.39139996e-04 -1.12631655e-05] [-6.31746312e-04 -1.33103719e-03 9.84330329e-04] [ 3.24075701e-04 3.39139995e-04 -1.12631662e-05] [-6.31746312e-04 1.33103719e-03 -9.84330329e-04] [ 3.24075704e-04 -3.39139997e-04 1.12631657e-05] [-3.24075702e-04 -3.39139996e-04 1.12631660e-05] [ 6.31746311e-04 1.33103719e-03 -9.84330329e-04] [ 6.31746313e-04 -1.33103719e-03 9.84330329e-04] [-3.24075704e-04 3.39139998e-04 -1.12631656e-05] [-6.31746313e-04 -1.33103719e-03 9.84330328e-04] [ 3.24075704e-04 3.39139998e-04 -1.12631650e-05] [-6.31746312e-04 1.33103719e-03 -9.84330329e-04] [ 3.24075703e-04 -3.39139996e-04 1.12631651e-05] [-2.56579480e-13 -3.96599420e-13 -1.88273702e-12] [ 4.10400874e-13 1.76788030e-12 2.41943140e-12] [ 1.58217883e-12 2.14532895e-03 1.67089456e-03] [ 2.54302135e-12 6.09657266e-04 -1.06084116e-03] [ 1.64879221e-12 -6.09657253e-04 1.06084117e-03] [ 2.60164112e-12 -2.14532896e-03 -1.67089455e-03] [ 1.76867033e-04 7.71508297e-04 1.79664315e-04] [ 1.76867047e-04 -7.71508294e-04 -1.79664304e-04] [-1.76867032e-04 7.71508296e-04 1.79664318e-04] [-1.76867044e-04 -7.71508295e-04 -1.79664308e-04] [ 3.09832818e-04 7.75513872e-04 7.76230885e-04] [-3.09832809e-04 7.75513883e-04 7.76230885e-04] [ 3.09832824e-04 -7.75513868e-04 -7.76230871e-04] [-3.09832818e-04 -7.75513875e-04 -7.76230871e-04] [-2.18323145e-12 2.14532900e-03 1.67089451e-03] [-3.74616614e-12 6.09657209e-04 -1.06084121e-03] [-1.74588383e-12 -6.09657230e-04 1.06084119e-03] [-3.06056688e-12 -2.14532899e-03 -1.67089452e-03] [ 1.76867003e-04 7.71508294e-04 1.79664349e-04] [ 1.76866988e-04 -7.71508298e-04 -1.79664361e-04] [-1.76867011e-04 7.71508295e-04 1.79664340e-04] [-1.76866994e-04 -7.71508296e-04 -1.79664354e-04] [ 3.09832855e-04 7.75513837e-04 7.76230872e-04] [-3.09832857e-04 7.75513835e-04 7.76230871e-04] [ 3.09832858e-04 -7.75513834e-04 -7.76230884e-04] [-3.09832859e-04 -7.75513833e-04 -7.76230884e-04]] Final stress: [-4.45593638e-05 -2.00764784e-05 -4.50109296e-05 4.24656304e-05 1.55548727e-16 -3.28916377e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-8.77567343e-05 7.76309572e-13 9.56318358e-13] [ 8.77567377e-05 5.76858006e-13 1.40013001e-13] [-2.13105922e-12 2.63428642e-03 -9.92587921e-04] [-3.02537162e-12 -2.63428641e-03 9.92587921e-04] [-2.64438471e-12 -9.82792124e-04 -1.01030814e-04] [ 2.32004693e-12 9.82792123e-04 1.01030822e-04] [-8.77567407e-05 1.16542659e-12 -5.37741036e-13] [ 8.77567333e-05 9.67790559e-13 2.39249182e-12] [ 2.58754716e-14 2.63428641e-03 -9.92587922e-04] [ 4.86808646e-13 -2.63428642e-03 9.92587920e-04] [ 2.11802120e-12 -9.82792125e-04 -1.01030821e-04] [ 2.02638009e-12 9.82792123e-04 1.01030812e-04] [-7.13858734e-04 -1.45836117e-03 -8.76290501e-04] [ 1.64104455e-03 2.12060979e-03 -1.50659243e-03] [ 1.64104455e-03 -2.12060979e-03 1.50659243e-03] [-7.13858729e-04 1.45836117e-03 8.76290495e-04] [-1.64104455e-03 -2.12060979e-03 1.50659244e-03] [ 7.13858727e-04 1.45836116e-03 8.76290496e-04] [-1.64104455e-03 2.12060980e-03 -1.50659244e-03] [ 7.13858729e-04 -1.45836117e-03 -8.76290494e-04] [-7.13858728e-04 -1.45836117e-03 -8.76290494e-04] [ 1.64104455e-03 2.12060979e-03 -1.50659244e-03] [ 1.64104456e-03 -2.12060980e-03 1.50659244e-03] [-7.13858728e-04 1.45836117e-03 8.76290495e-04] [-1.64104455e-03 -2.12060979e-03 1.50659243e-03] [ 7.13858735e-04 1.45836117e-03 8.76290500e-04] [-1.64104455e-03 2.12060979e-03 -1.50659243e-03] [ 7.13858727e-04 -1.45836116e-03 -8.76290499e-04] [-6.20039436e-12 -1.49721902e-12 -2.39217673e-12] [ 7.86435677e-12 2.64516920e-12 5.59531319e-12] [ 3.48082674e-12 -1.17660913e-03 -1.14263310e-03] [ 3.92791355e-12 -1.63873767e-03 1.65509258e-03] [-1.37195810e-12 1.63873771e-03 -1.65509254e-03] [ 9.07773856e-13 1.17660911e-03 1.14263311e-03] [-9.62938128e-04 5.62526370e-04 -9.57696551e-04] [-9.62938109e-04 -5.62526363e-04 9.57696565e-04] [ 9.62938115e-04 5.62526368e-04 -9.57696563e-04] [ 9.62938103e-04 -5.62526365e-04 9.57696569e-04] [ 2.64418947e-04 2.44604657e-04 5.57319632e-04] [-2.64418939e-04 2.44604667e-04 5.57319636e-04] [ 2.64418946e-04 -2.44604659e-04 -5.57319619e-04] [-2.64418937e-04 -2.44604670e-04 -5.57319614e-04] [-2.17505653e-12 -1.17660897e-03 -1.14263325e-03] [-3.24889844e-12 -1.63873784e-03 1.65509242e-03] [ 9.98829396e-13 1.63873783e-03 -1.65509242e-03] [ 1.34341830e-12 1.17660898e-03 1.14263324e-03] [-9.62938243e-04 5.62526364e-04 -9.57696428e-04] [-9.62938278e-04 -5.62526369e-04 9.57696398e-04] [ 9.62938238e-04 5.62526366e-04 -9.57696437e-04] [ 9.62938265e-04 -5.62526370e-04 9.57696415e-04] [ 2.64419094e-04 2.44604513e-04 5.57319614e-04] [-2.64419087e-04 2.44604519e-04 5.57319610e-04] [ 2.64419082e-04 -2.44604524e-04 -5.57319633e-04] [-2.64419070e-04 -2.44604534e-04 -5.57319638e-04]] Final stress: [-3.94318113e-05 -3.04362502e-05 -3.98850038e-05 -3.97207153e-05 4.89454403e-15 -4.36039557e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.33567416e-03 -6.81218970e-12 1.37264620e-02] [-1.33567410e-03 -1.15106952e-11 -1.37264620e-02] [-8.09344952e-12 -2.62142360e-02 -4.19769774e-12] [-1.32278771e-11 2.62142360e-02 -1.96673233e-11] [ 1.37264620e-02 -5.02420328e-12 1.33567415e-03] [-1.37264620e-02 -1.88354471e-11 -1.33567411e-03] [ 1.33567414e-03 -1.16688654e-12 1.37264620e-02] [-1.33567418e-03 1.46429479e-11 -1.37264620e-02] [ 3.43509722e-12 -2.62142360e-02 -9.40298629e-12] [-5.98285541e-13 2.62142360e-02 -4.72516258e-12] [ 1.37264620e-02 1.78473901e-12 1.33567417e-03] [-1.37264620e-02 1.60470952e-11 -1.33567414e-03] [ 8.26739511e-03 1.76441403e-02 8.26739510e-03] [-1.22030349e-02 -2.25596002e-02 1.22030349e-02] [-8.26739513e-03 1.76441404e-02 -8.26739517e-03] [ 1.22030348e-02 -2.25596002e-02 -1.22030348e-02] [ 1.22030348e-02 2.25596002e-02 -1.22030348e-02] [-8.26739514e-03 -1.76441404e-02 -8.26739517e-03] [ 8.26739512e-03 -1.76441403e-02 8.26739511e-03] [-1.22030348e-02 2.25596002e-02 1.22030348e-02] [ 8.26739519e-03 1.76441404e-02 8.26739519e-03] [-1.22030348e-02 -2.25596002e-02 1.22030348e-02] [-8.26739511e-03 1.76441403e-02 -8.26739512e-03] [ 1.22030348e-02 -2.25596002e-02 -1.22030348e-02] [ 1.22030348e-02 2.25596003e-02 -1.22030349e-02] [-8.26739510e-03 -1.76441403e-02 -8.26739509e-03] [ 8.26739516e-03 -1.76441404e-02 8.26739517e-03] [-1.22030348e-02 2.25596003e-02 1.22030349e-02] [-4.47669818e-11 -3.15888010e-11 -6.25627050e-11] [ 3.33569632e-11 2.50873368e-11 -1.69250593e-11] [-7.58965088e-03 -3.31774464e-03 -2.00718904e-03] [-7.58965085e-03 3.31774477e-03 -2.00718888e-03] [ 7.58965097e-03 -3.31774461e-03 2.00718908e-03] [ 7.58965098e-03 3.31774470e-03 2.00718893e-03] [ 2.43129504e-02 3.99033029e-11 2.43129499e-02] [-3.33111187e-04 1.59680047e-11 3.33111921e-04] [ 3.33111336e-04 2.04058992e-12 -3.33111766e-04] [-2.43129504e-02 1.62537206e-11 -2.43129499e-02] [-2.00718938e-03 -3.31774429e-03 -7.58965091e-03] [ 2.00718954e-03 -3.31774408e-03 7.58965095e-03] [-2.00718947e-03 3.31774421e-03 -7.58965091e-03] [ 2.00718961e-03 3.31774400e-03 7.58965094e-03] [-7.58965101e-03 -3.31774408e-03 -2.00718957e-03] [-7.58965100e-03 3.31774415e-03 -2.00718950e-03] [ 7.58965085e-03 -3.31774414e-03 2.00718953e-03] [ 7.58965085e-03 3.31774420e-03 2.00718947e-03] [ 2.43129499e-02 -3.91458714e-12 2.43129505e-02] [-3.33111927e-04 -1.12527002e-11 3.33111130e-04] [ 3.33111719e-04 8.72129675e-13 -3.33111381e-04] [-2.43129499e-02 3.10652087e-12 -2.43129504e-02] [-2.00718895e-03 -3.31774465e-03 -7.58965094e-03] [ 2.00718884e-03 -3.31774478e-03 7.58965088e-03] [-2.00718909e-03 3.31774456e-03 -7.58965092e-03] [ 2.00718904e-03 3.31774462e-03 7.58965089e-03]] Final stress: [-1.11330767e-05 3.85123429e-05 -1.11330766e-05 -2.49603684e-15 3.48899519e-06 2.96258970e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-2.99027442e-05 1.25913169e-13 -3.31937433e-05] [ 2.99027471e-05 1.18599575e-13 3.31937428e-05] [-3.17662563e-14 -6.78963534e-04 -4.84612350e-14] [-6.73350264e-14 6.78963535e-04 1.62411751e-13] [-3.31937432e-05 -1.29021793e-13 -2.99027449e-05] [ 3.31937429e-05 1.98091543e-13 2.99027467e-05] [-2.99027475e-05 -1.34580566e-14 -3.31937430e-05] [ 2.99027439e-05 6.98108292e-14 3.31937429e-05] [ 2.01567403e-14 -6.78963535e-04 7.30196872e-14] [ 3.12352263e-13 6.78963534e-04 4.20905220e-13] [-3.31937431e-05 -2.77626290e-13 -2.99027463e-05] [ 3.31937433e-05 -1.33697984e-13 2.99027453e-05] [ 1.66244837e-04 4.65366663e-04 1.66244837e-04] [-2.97483866e-04 -3.06988912e-04 2.97483866e-04] [-1.66244840e-04 4.65366666e-04 -1.66244840e-04] [ 2.97483866e-04 -3.06988910e-04 -2.97483865e-04] [ 2.97483865e-04 3.06988910e-04 -2.97483864e-04] [-1.66244838e-04 -4.65366665e-04 -1.66244839e-04] [ 1.66244837e-04 -4.65366662e-04 1.66244837e-04] [-2.97483865e-04 3.06988911e-04 2.97483865e-04] [ 1.66244838e-04 4.65366664e-04 1.66244839e-04] [-2.97483865e-04 -3.06988910e-04 2.97483864e-04] [-1.66244837e-04 4.65366663e-04 -1.66244837e-04] [ 2.97483865e-04 -3.06988911e-04 -2.97483865e-04] [ 2.97483866e-04 3.06988911e-04 -2.97483866e-04] [-1.66244837e-04 -4.65366663e-04 -1.66244837e-04] [ 1.66244839e-04 -4.65366666e-04 1.66244840e-04] [-2.97483865e-04 3.06988910e-04 2.97483865e-04] [-2.17567631e-12 -2.40751863e-13 -1.38457301e-12] [ 2.84941049e-12 1.26183274e-13 9.83721855e-13] [ 1.18763987e-04 -1.87236673e-04 -1.41494206e-04] [ 1.18763987e-04 1.87236677e-04 -1.41494201e-04] [-1.18763982e-04 -1.87236674e-04 1.41494204e-04] [-1.18763982e-04 1.87236678e-04 1.41494201e-04] [-5.16453335e-04 2.14150919e-12 -5.16453320e-04] [ 6.82973407e-04 1.48725476e-12 -6.82973417e-04] [-6.82973396e-04 1.60532698e-12 6.82973429e-04] [ 5.16453337e-04 8.38884517e-13 5.16453315e-04] [-1.41494175e-04 -1.87236703e-04 1.18763984e-04] [ 1.41494177e-04 -1.87236700e-04 -1.18763984e-04] [-1.41494175e-04 1.87236704e-04 1.18763985e-04] [ 1.41494177e-04 1.87236700e-04 -1.18763984e-04] [ 1.18763982e-04 -1.87236698e-04 -1.41494180e-04] [ 1.18763982e-04 1.87236698e-04 -1.41494180e-04] [-1.18763987e-04 -1.87236703e-04 1.41494176e-04] [-1.18763988e-04 1.87236701e-04 1.41494178e-04] [-5.16453314e-04 -4.51875977e-13 -5.16453339e-04] [ 6.82973426e-04 -9.69222185e-13 -6.82973399e-04] [-6.82973426e-04 -8.28852907e-13 6.82973397e-04] [ 5.16453310e-04 -8.10937601e-13 5.16453344e-04] [-1.41494202e-04 -1.87236675e-04 1.18763983e-04] [ 1.41494195e-04 -1.87236684e-04 -1.18763985e-04] [-1.41494206e-04 1.87236671e-04 1.18763983e-04] [ 1.41494200e-04 1.87236679e-04 -1.18763985e-04]] Final stress: [ 3.15652162e-05 2.25235116e-05 3.15652162e-05 7.44053303e-16 -4.17247372e-05 3.32832858e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.50279382e-04 -1.43565715e-12 1.08749888e-03] [ 2.50279382e-04 1.15170373e-12 -1.08749888e-03] [ 2.94930746e-13 3.83093429e-03 -1.23508148e-12] [ 1.58846547e-12 -3.83093430e-03 -5.58997293e-13] [ 1.08749888e-03 -9.23067178e-13 -2.50279386e-04] [-1.08749888e-03 -1.10095266e-12 2.50279382e-04] [-2.50279385e-04 -1.63190343e-12 1.08749888e-03] [ 2.50279382e-04 -5.15714235e-13 -1.08749888e-03] [ 1.21505380e-12 3.83093429e-03 -4.40390797e-14] [ 7.50818678e-13 -3.83093429e-03 3.32046790e-12] [ 1.08749888e-03 -1.32725527e-13 -2.50279382e-04] [-1.08749888e-03 -1.64948513e-13 2.50279384e-04] [-1.95654408e-03 -3.07250850e-03 -1.95654408e-03] [ 1.12380981e-03 1.59027820e-03 -1.12380981e-03] [ 1.95654408e-03 -3.07250851e-03 1.95654408e-03] [-1.12380981e-03 1.59027820e-03 1.12380981e-03] [-1.12380980e-03 -1.59027819e-03 1.12380980e-03] [ 1.95654409e-03 3.07250850e-03 1.95654409e-03] [-1.95654408e-03 3.07250850e-03 -1.95654409e-03] [ 1.12380981e-03 -1.59027819e-03 -1.12380981e-03] [-1.95654409e-03 -3.07250850e-03 -1.95654409e-03] [ 1.12380980e-03 1.59027819e-03 -1.12380981e-03] [ 1.95654408e-03 -3.07250850e-03 1.95654408e-03] [-1.12380981e-03 1.59027820e-03 1.12380981e-03] [-1.12380981e-03 -1.59027819e-03 1.12380981e-03] [ 1.95654408e-03 3.07250850e-03 1.95654408e-03] [-1.95654409e-03 3.07250851e-03 -1.95654408e-03] [ 1.12380981e-03 -1.59027820e-03 -1.12380981e-03] [ 3.43237244e-12 2.95720393e-12 5.19126409e-13] [-1.09586424e-14 -6.30356155e-12 1.25171827e-12] [-5.76910312e-04 2.60081364e-04 7.08461692e-04] [-5.76910318e-04 -2.60081371e-04 7.08461680e-04] [ 5.76910333e-04 2.60081323e-04 -7.08461723e-04] [ 5.76910324e-04 -2.60081337e-04 -7.08461705e-04] [ 1.21988553e-03 -4.63218353e-12 1.21988558e-03] [-3.44666788e-03 -5.83688653e-12 3.44666782e-03] [ 3.44666789e-03 -6.90236757e-12 -3.44666781e-03] [-1.21988551e-03 -4.92550445e-12 -1.21988561e-03] [ 7.08461812e-04 2.60081241e-04 -5.76910336e-04] [-7.08461811e-04 2.60081241e-04 5.76910317e-04] [ 7.08461799e-04 -2.60081253e-04 -5.76910337e-04] [-7.08461790e-04 -2.60081258e-04 5.76910318e-04] [-5.76910332e-04 2.60081256e-04 7.08461789e-04] [-5.76910330e-04 -2.60081244e-04 7.08461804e-04] [ 5.76910325e-04 2.60081268e-04 -7.08461780e-04] [ 5.76910319e-04 -2.60081255e-04 -7.08461797e-04] [ 1.21988560e-03 1.23394214e-11 1.21988552e-03] [-3.44666779e-03 9.05533888e-12 3.44666792e-03] [ 3.44666781e-03 3.14844224e-12 -3.44666790e-03] [-1.21988564e-03 3.86230404e-12 -1.21988548e-03] [ 7.08461697e-04 2.60081353e-04 -5.76910314e-04] [-7.08461712e-04 2.60081337e-04 5.76910331e-04] [ 7.08461706e-04 -2.60081349e-04 -5.76910312e-04] [-7.08461730e-04 -2.60081321e-04 5.76910334e-04]] Final stress: [-4.17260136e-05 -2.53730572e-05 -4.17260136e-05 2.79820000e-15 3.96007996e-05 2.26908277e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.09161790e-04 1.00540409e-12 -1.33626525e-03] [ 1.09161787e-04 1.61011482e-12 1.33626525e-03] [-9.59954338e-13 3.05428611e-03 -1.65543967e-12] [ 9.57303681e-13 -3.05428612e-03 2.48090437e-12] [-1.33626525e-03 7.36966044e-13 -1.09161787e-04] [ 1.33626525e-03 1.91860416e-13 1.09161789e-04] [-1.09161792e-04 -4.38645438e-13 -1.33626525e-03] [ 1.09161787e-04 -1.16310213e-12 1.33626525e-03] [ 6.59426482e-13 3.05428612e-03 9.64619897e-13] [ 6.32699934e-13 -3.05428611e-03 -6.41989913e-13] [-1.33626525e-03 -1.33738535e-12 -1.09161788e-04] [ 1.33626525e-03 8.12375788e-13 1.09161785e-04] [-9.52824061e-04 -1.48871820e-03 -9.52824061e-04] [ 1.84468723e-03 2.68343886e-03 -1.84468723e-03] [ 9.52824055e-04 -1.48871819e-03 9.52824055e-04] [-1.84468723e-03 2.68343886e-03 1.84468723e-03] [-1.84468723e-03 -2.68343886e-03 1.84468723e-03] [ 9.52824066e-04 1.48871821e-03 9.52824068e-04] [-9.52824067e-04 1.48871821e-03 -9.52824068e-04] [ 1.84468723e-03 -2.68343886e-03 -1.84468723e-03] [-9.52824068e-04 -1.48871821e-03 -9.52824070e-04] [ 1.84468723e-03 2.68343886e-03 -1.84468723e-03] [ 9.52824067e-04 -1.48871821e-03 9.52824065e-04] [-1.84468723e-03 2.68343886e-03 1.84468723e-03] [-1.84468723e-03 -2.68343886e-03 1.84468723e-03] [ 9.52824061e-04 1.48871820e-03 9.52824060e-04] [-9.52824052e-04 1.48871820e-03 -9.52824053e-04] [ 1.84468723e-03 -2.68343886e-03 -1.84468723e-03] [ 2.44074899e-12 6.96323554e-12 -2.21619945e-12] [ 5.11839410e-12 -5.42736332e-12 7.69633872e-13] [ 7.46824785e-04 1.67347806e-04 2.84148118e-04] [ 7.46824786e-04 -1.67347813e-04 2.84148106e-04] [-7.46824788e-04 1.67347820e-04 -2.84148108e-04] [-7.46824795e-04 -1.67347835e-04 -2.84148090e-04] [-2.86507704e-03 -1.79543047e-11 -2.86507700e-03] [ 3.20741703e-04 -6.86251056e-12 -3.20741728e-04] [-3.20741700e-04 -1.06225029e-11 3.20741731e-04] [ 2.86507703e-03 -7.38037409e-12 2.86507701e-03] [ 2.84148130e-04 1.67347792e-04 7.46824794e-04] [-2.84148136e-04 1.67347790e-04 -7.46824779e-04] [ 2.84148110e-04 -1.67347809e-04 7.46824798e-04] [-2.84148109e-04 -1.67347812e-04 -7.46824788e-04] [ 7.46824792e-04 1.67347811e-04 2.84148111e-04] [ 7.46824788e-04 -1.67347795e-04 2.84148133e-04] [-7.46824794e-04 1.67347804e-04 -2.84148115e-04] [-7.46824787e-04 -1.67347781e-04 -2.84148147e-04] [-2.86507700e-03 1.27758191e-11 -2.86507703e-03] [ 3.20741716e-04 5.49485508e-12 -3.20741712e-04] [-3.20741729e-04 5.64742648e-12 3.20741706e-04] [ 2.86507703e-03 7.00318236e-12 2.86507701e-03] [ 2.84148095e-04 1.67347823e-04 7.46824784e-04] [-2.84148086e-04 1.67347834e-04 -7.46824799e-04] [ 2.84148111e-04 -1.67347815e-04 7.46824787e-04] [-2.84148109e-04 -1.67347817e-04 -7.46824791e-04]] Final stress: [-3.93240829e-05 -3.08068999e-05 -3.93240829e-05 4.53984262e-15 -3.89772557e-05 4.79538695e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.15828133e-04 -7.65804365e-05 1.11438636e-13] [ 2.15828134e-04 7.65804369e-05 -3.05727665e-14] [-7.77061985e-05 -6.24762113e-04 3.01009218e-14] [ 7.77061988e-05 6.24762113e-04 2.58404409e-14] [ 7.98527910e-14 1.57207580e-13 -2.12912161e-04] [ 3.24171245e-13 -4.07646139e-13 2.12912162e-04] [-2.15828134e-04 -7.65804374e-05 -6.49705753e-14] [ 2.15828133e-04 7.65804373e-05 2.03907976e-13] [-7.77061990e-05 -6.24762113e-04 -3.39889169e-13] [ 7.77061980e-05 6.24762113e-04 -2.09659262e-13] [ 2.14503854e-13 -3.07528301e-13 -2.12912162e-04] [-8.38575289e-14 -1.57585696e-13 2.12912162e-04] [ 2.04273316e-04 5.28495883e-04 -4.00270525e-05] [-2.04273316e-04 -5.28495882e-04 -4.00270532e-05] [-5.89229763e-05 3.77152957e-04 -3.05786409e-04] [ 5.89229762e-05 -3.77152958e-04 -3.05786410e-04] [ 2.04273317e-04 5.28495883e-04 4.00270518e-05] [-2.04273316e-04 -5.28495883e-04 4.00270528e-05] [ 5.89229766e-05 -3.77152958e-04 3.05786409e-04] [-5.89229768e-05 3.77152958e-04 3.05786410e-04] [ 2.04273316e-04 5.28495883e-04 -4.00270518e-05] [-2.04273317e-04 -5.28495883e-04 -4.00270522e-05] [-5.89229768e-05 3.77152957e-04 -3.05786410e-04] [ 5.89229768e-05 -3.77152958e-04 -3.05786410e-04] [ 2.04273315e-04 5.28495883e-04 4.00270525e-05] [-2.04273316e-04 -5.28495883e-04 4.00270525e-05] [ 5.89229762e-05 -3.77152957e-04 3.05786409e-04] [-5.89229776e-05 3.77152957e-04 3.05786409e-04] [-4.84161322e-13 -2.35998721e-13 -7.14532600e-13] [-7.85497849e-13 -5.74455717e-13 2.68293686e-13] [-1.21035394e-04 1.63154975e-04 -5.14125453e-04] [ 1.21035399e-04 -1.63154975e-04 -5.14125454e-04] [-1.21035395e-04 1.63154978e-04 5.14125455e-04] [ 1.21035398e-04 -1.63154978e-04 5.14125457e-04] [ 1.23310022e-04 -1.15958555e-04 1.22605998e-04] [ 1.23310023e-04 -1.15958555e-04 -1.22605997e-04] [-1.23310022e-04 1.15958554e-04 1.22605998e-04] [-1.23310021e-04 1.15958554e-04 -1.22605998e-04] [ 1.26506228e-04 7.99177073e-04 1.09384724e-12] [ 1.15747498e-03 -4.76962668e-04 2.27506902e-12] [-1.15747498e-03 4.76962672e-04 6.59083899e-13] [-1.26506219e-04 -7.99177082e-04 1.12199139e-12] [-1.21035399e-04 1.63154968e-04 -5.14125446e-04] [ 1.21035396e-04 -1.63154967e-04 -5.14125444e-04] [-1.21035399e-04 1.63154967e-04 5.14125446e-04] [ 1.21035397e-04 -1.63154965e-04 5.14125444e-04] [ 1.23310032e-04 -1.15958553e-04 1.22605989e-04] [ 1.23310027e-04 -1.15958553e-04 -1.22605993e-04] [-1.23310037e-04 1.15958555e-04 1.22605983e-04] [-1.23310034e-04 1.15958555e-04 -1.22605985e-04] [ 1.26506213e-04 7.99177088e-04 -3.44013622e-13] [ 1.15747499e-03 -4.76962660e-04 -1.32394812e-12] [-1.15747499e-03 4.76962658e-04 4.37056145e-14] [-1.26506214e-04 -7.99177085e-04 -8.56958531e-13]] Final stress: [ 3.25416669e-05 2.20718778e-05 3.26003656e-05 -3.12711980e-16 2.08334925e-16 4.20503421e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.98198105e-03 1.58377066e-03 -2.52424470e-12] [ 1.98198105e-03 -1.58377065e-03 1.19773635e-12] [ 1.76349936e-03 -1.00640480e-02 -1.07081011e-12] [-1.76349935e-03 1.00640480e-02 -5.10386178e-12] [ 3.11249637e-12 1.84963156e-12 -1.85331439e-03] [ 4.95539720e-12 8.11808953e-13 1.85331439e-03] [-1.98198104e-03 1.58377066e-03 5.25543107e-12] [ 1.98198105e-03 -1.58377066e-03 1.64653322e-12] [ 1.76349935e-03 -1.00640480e-02 -2.55181338e-12] [-1.76349935e-03 1.00640480e-02 -3.77752222e-12] [-1.46484177e-12 1.51991409e-12 -1.85331439e-03] [-9.08733931e-13 -2.37350404e-12 1.85331441e-03] [ 3.27213195e-03 7.90364896e-03 6.59737115e-03] [-3.27213195e-03 -7.90364896e-03 6.59737114e-03] [-7.54956076e-04 5.29437477e-03 1.81685434e-03] [ 7.54956071e-04 -5.29437477e-03 1.81685434e-03] [ 3.27213196e-03 7.90364897e-03 -6.59737115e-03] [-3.27213195e-03 -7.90364897e-03 -6.59737115e-03] [ 7.54956082e-04 -5.29437479e-03 -1.81685433e-03] [-7.54956086e-04 5.29437477e-03 -1.81685433e-03] [ 3.27213196e-03 7.90364896e-03 6.59737116e-03] [-3.27213196e-03 -7.90364897e-03 6.59737116e-03] [-7.54956084e-04 5.29437478e-03 1.81685433e-03] [ 7.54956073e-04 -5.29437478e-03 1.81685433e-03] [ 3.27213195e-03 7.90364895e-03 -6.59737114e-03] [-3.27213195e-03 -7.90364896e-03 -6.59737114e-03] [ 7.54956068e-04 -5.29437478e-03 -1.81685433e-03] [-7.54956077e-04 5.29437477e-03 -1.81685434e-03] [ 2.94625435e-12 -2.03157630e-12 -4.01698119e-12] [-9.89952755e-12 -4.78155276e-12 -3.21948785e-12] [ 2.73563625e-03 4.55477573e-03 -9.91676770e-03] [-2.73563623e-03 -4.55477570e-03 -9.91676767e-03] [ 2.73563624e-03 4.55477573e-03 9.91676770e-03] [-2.73563623e-03 -4.55477573e-03 9.91676770e-03] [ 1.66100079e-03 2.87484259e-03 1.43206537e-03] [ 1.66100076e-03 2.87484258e-03 -1.43206540e-03] [-1.66100079e-03 -2.87484258e-03 1.43206537e-03] [-1.66100075e-03 -2.87484257e-03 -1.43206541e-03] [-2.03630836e-02 -6.00956284e-03 -1.89507299e-11] [-2.45466930e-04 1.43845019e-02 -1.77632908e-11] [ 2.45466945e-04 -1.43845019e-02 -6.68837208e-12] [ 2.03630837e-02 6.00956281e-03 -3.22614158e-12] [ 2.73563624e-03 4.55477633e-03 -9.91676829e-03] [-2.73563624e-03 -4.55477631e-03 -9.91676828e-03] [ 2.73563624e-03 4.55477637e-03 9.91676832e-03] [-2.73563625e-03 -4.55477637e-03 9.91676833e-03] [ 1.66100016e-03 2.87484257e-03 1.43206602e-03] [ 1.66100014e-03 2.87484257e-03 -1.43206604e-03] [-1.66100018e-03 -2.87484257e-03 1.43206598e-03] [-1.66100018e-03 -2.87484257e-03 -1.43206598e-03] [-2.03630830e-02 -6.00956345e-03 -1.80243149e-12] [-2.45467566e-04 1.43845012e-02 -2.11180986e-13] [ 2.45467536e-04 -1.43845013e-02 1.88416119e-11] [ 2.03630830e-02 6.00956344e-03 2.41758110e-12]] Final stress: [ 4.52535433e-05 -2.39544719e-05 6.26906985e-05 -4.66783411e-15 1.73794084e-15 -4.51006989e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-3.77427520e-05 1.02200628e-04 -4.66793271e-13] [ 3.77427515e-05 -1.02200628e-04 -7.20673521e-14] [ 1.03479024e-04 7.24875303e-04 -2.86173862e-13] [-1.03479023e-04 -7.24875304e-04 -1.08746345e-13] [ 1.45897183e-13 -2.45886644e-13 -3.57973780e-05] [-7.05491221e-13 -2.41917597e-13 3.57973790e-05] [-3.77427515e-05 1.02200629e-04 1.65711969e-13] [ 3.77427517e-05 -1.02200628e-04 -1.00122845e-13] [ 1.03479023e-04 7.24875305e-04 2.60102916e-13] [-1.03479023e-04 -7.24875303e-04 1.69447898e-13] [-8.75758681e-15 6.77085130e-14 -3.57973792e-05] [ 1.00913120e-13 8.27911551e-14 3.57973784e-05] [-2.95340234e-04 -4.39910293e-04 -4.08194706e-04] [ 2.95340233e-04 4.39910292e-04 -4.08194705e-04] [ 2.41322231e-04 -3.78484487e-04 1.26440824e-04] [-2.41322231e-04 3.78484487e-04 1.26440824e-04] [-2.95340232e-04 -4.39910292e-04 4.08194704e-04] [ 2.95340233e-04 4.39910293e-04 4.08194705e-04] [-2.41322231e-04 3.78484487e-04 -1.26440825e-04] [ 2.41322231e-04 -3.78484488e-04 -1.26440824e-04] [-2.95340233e-04 -4.39910292e-04 -4.08194706e-04] [ 2.95340232e-04 4.39910292e-04 -4.08194704e-04] [ 2.41322232e-04 -3.78484487e-04 1.26440825e-04] [-2.41322231e-04 3.78484488e-04 1.26440824e-04] [-2.95340234e-04 -4.39910293e-04 4.08194706e-04] [ 2.95340234e-04 4.39910293e-04 4.08194706e-04] [-2.41322231e-04 3.78484487e-04 -1.26440824e-04] [ 2.41322231e-04 -3.78484487e-04 -1.26440823e-04] [ 4.91363894e-13 6.77902179e-13 -1.42180018e-12] [ 2.81114814e-13 -5.46853027e-13 6.84081661e-13] [-7.20476355e-05 1.37118645e-04 1.47150570e-04] [ 7.20476305e-05 -1.37118646e-04 1.47150569e-04] [-7.20476345e-05 1.37118642e-04 -1.47150573e-04] [ 7.20476319e-05 -1.37118643e-04 -1.47150571e-04] [-8.58970563e-05 -7.58828059e-05 -8.59045058e-05] [-8.58970546e-05 -7.58828051e-05 8.59045076e-05] [ 8.58970545e-05 7.58828009e-05 -8.59045088e-05] [ 8.58970525e-05 7.58828014e-05 8.59045101e-05] [ 6.88569199e-04 6.82167598e-04 9.31255073e-13] [ 3.97548762e-04 -4.11251121e-04 2.22710739e-13] [-3.97548773e-04 4.11251110e-04 2.18547402e-13] [-6.88569197e-04 -6.82167599e-04 -7.17759185e-14] [-7.20476308e-05 1.37118598e-04 1.47150617e-04] [ 7.20476337e-05 -1.37118592e-04 1.47150623e-04] [-7.20476306e-05 1.37118595e-04 -1.47150618e-04] [ 7.20476338e-05 -1.37118589e-04 -1.47150626e-04] [-8.58970036e-05 -7.58828024e-05 -8.59045594e-05] [-8.58970006e-05 -7.58828025e-05 8.59045629e-05] [ 8.58970075e-05 7.58828061e-05 -8.59045548e-05] [ 8.58970057e-05 7.58828052e-05 8.59045565e-05] [ 6.88569147e-04 6.82167649e-04 -2.74925685e-13] [ 3.97548819e-04 -4.11251064e-04 2.82862589e-13] [-3.97548815e-04 4.11251069e-04 1.15511052e-13] [-6.88569147e-04 -6.82167651e-04 9.28203051e-13]] Final stress: [-4.08784544e-05 -3.07406915e-05 -4.08387086e-05 2.70847648e-16 -2.13827090e-17 4.18853699e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.03511315e-04 -8.80177711e-04 -5.44245204e-13] [ 1.03511322e-04 8.80177710e-04 6.58278987e-13] [-8.89056528e-04 2.44654664e-03 1.12684861e-12] [ 8.89056529e-04 -2.44654664e-03 -1.29245226e-12] [ 1.57714120e-12 1.22600541e-12 -9.16619945e-05] [-5.58594837e-13 7.92102495e-13 9.16619989e-05] [-1.03511324e-04 -8.80177711e-04 5.45756022e-13] [ 1.03511315e-04 8.80177711e-04 -1.95410445e-12] [-8.89056529e-04 2.44654664e-03 3.36280101e-13] [ 8.89056528e-04 -2.44654664e-03 9.73901725e-13] [-2.46835621e-13 -5.57701395e-15 -9.16619996e-05] [ 6.92680078e-13 -2.38641545e-13 9.16619934e-05] [-8.16933887e-04 -1.35266293e-03 -6.56127500e-04] [ 8.16933889e-04 1.35266293e-03 -6.56127502e-04] [ 1.36978723e-03 -1.93493374e-03 1.50641355e-03] [-1.36978723e-03 1.93493374e-03 1.50641356e-03] [-8.16933884e-04 -1.35266293e-03 6.56127503e-04] [ 8.16933884e-04 1.35266292e-03 6.56127497e-04] [-1.36978723e-03 1.93493375e-03 -1.50641356e-03] [ 1.36978723e-03 -1.93493374e-03 -1.50641355e-03] [-8.16933883e-04 -1.35266292e-03 -6.56127497e-04] [ 8.16933887e-04 1.35266292e-03 -6.56127502e-04] [ 1.36978723e-03 -1.93493375e-03 1.50641356e-03] [-1.36978723e-03 1.93493374e-03 1.50641355e-03] [-8.16933891e-04 -1.35266293e-03 6.56127502e-04] [ 8.16933886e-04 1.35266292e-03 6.56127501e-04] [-1.36978723e-03 1.93493374e-03 -1.50641356e-03] [ 1.36978723e-03 -1.93493375e-03 -1.50641356e-03] [-3.88548915e-12 6.45303255e-13 -2.57181082e-12] [ 6.20595609e-12 -2.08200686e-12 3.55035226e-12] [ 4.89770399e-04 2.40197796e-04 2.57706720e-04] [-4.89770387e-04 -2.40197801e-04 2.57706714e-04] [ 4.89770403e-04 2.40197804e-04 -2.57706716e-04] [-4.89770384e-04 -2.40197812e-04 -2.57706705e-04] [-8.58089408e-04 4.95032390e-04 -8.62453980e-04] [-8.58089382e-04 4.95032389e-04 8.62454000e-04] [ 8.58089414e-04 -4.95032387e-04 -8.62453970e-04] [ 8.58089391e-04 -4.95032390e-04 8.62453988e-04] [-1.06989341e-03 -1.10026012e-03 8.01325672e-12] [-1.57033109e-03 1.55676013e-03 7.10753678e-12] [ 1.57033112e-03 -1.55676010e-03 8.77653505e-12] [ 1.06989343e-03 1.10026010e-03 6.55642207e-12] [ 4.89770387e-04 2.40197841e-04 2.57706678e-04] [-4.89770405e-04 -2.40197843e-04 2.57706676e-04] [ 4.89770385e-04 2.40197817e-04 -2.57706700e-04] [-4.89770403e-04 -2.40197819e-04 -2.57706695e-04] [-8.58089433e-04 4.95032389e-04 -8.62453947e-04] [-8.58089441e-04 4.95032389e-04 8.62453942e-04] [ 8.58089409e-04 -4.95032385e-04 -8.62453976e-04] [ 8.58089421e-04 -4.95032385e-04 8.62453966e-04] [-1.06989340e-03 -1.10026013e-03 -7.15376824e-12] [-1.57033114e-03 1.55676008e-03 -6.82384177e-12] [ 1.57033113e-03 -1.55676009e-03 -7.41188989e-12] [ 1.06989339e-03 1.10026014e-03 -5.84925894e-12]] Final stress: [-4.00402513e-05 -3.02971535e-05 -3.96436727e-05 -2.62588052e-15 -2.23470273e-15 -3.99713951e-05] Minimization converged after 13 steps. Minimization converged after 11 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.46637074e-04 -1.19307342e-13 2.28025931e-13] [-1.46637074e-04 8.16430257e-14 -1.07983067e-13] [ 9.84073933e-14 1.45591249e-04 -9.68312604e-05] [-2.02171613e-13 -1.45591249e-04 9.68312607e-05] [-1.74193993e-13 -9.71205003e-05 -7.72323960e-04] [ 6.02851102e-14 9.71205004e-05 7.72323960e-04] [ 1.46637074e-04 3.57352662e-14 -7.83255295e-14] [-1.46637075e-04 -3.30664539e-13 -1.81208428e-13] [-9.59707809e-14 1.45591249e-04 -9.68312610e-05] [ 1.48750519e-13 -1.45591249e-04 9.68312608e-05] [-1.14941784e-13 -9.71205000e-05 -7.72323960e-04] [-1.40591355e-13 9.71205002e-05 7.72323961e-04] [ 1.10705040e-04 2.77312359e-04 3.89542852e-04] [-2.53473944e-04 -8.37774689e-05 1.91159416e-04] [-2.53473943e-04 8.37774682e-05 -1.91159416e-04] [ 1.10705040e-04 -2.77312358e-04 -3.89542851e-04] [ 2.53473943e-04 8.37774681e-05 -1.91159416e-04] [-1.10705040e-04 -2.77312359e-04 -3.89542852e-04] [ 2.53473944e-04 -8.37774682e-05 1.91159416e-04] [-1.10705040e-04 2.77312359e-04 3.89542853e-04] [ 1.10705040e-04 2.77312359e-04 3.89542852e-04] [-2.53473943e-04 -8.37774682e-05 1.91159416e-04] [-2.53473943e-04 8.37774686e-05 -1.91159416e-04] [ 1.10705040e-04 -2.77312359e-04 -3.89542853e-04] [ 2.53473944e-04 8.37774685e-05 -1.91159416e-04] [-1.10705040e-04 -2.77312358e-04 -3.89542852e-04] [ 2.53473943e-04 -8.37774685e-05 1.91159416e-04] [-1.10705040e-04 2.77312358e-04 3.89542852e-04] [-2.59077482e-13 -4.61783389e-14 2.19879670e-13] [ 9.37854096e-13 -2.85212010e-13 -7.39903283e-13] [ 9.96647209e-13 5.41396341e-04 5.24115563e-04] [ 1.25144339e-12 9.27223954e-04 -9.33950457e-04] [ 5.29076782e-13 -9.27223954e-04 9.33950458e-04] [ 1.38355993e-12 -5.41396342e-04 -5.24115563e-04] [-1.91307184e-04 7.69178962e-05 -2.03017416e-04] [-1.91307184e-04 -7.69178950e-05 2.03017416e-04] [ 1.91307187e-04 7.69178952e-05 -2.03017413e-04] [ 1.91307187e-04 -7.69178956e-05 2.03017412e-04] [-5.77469337e-05 -5.74353966e-05 8.23052432e-05] [ 5.77469360e-05 -5.74353937e-05 8.23052433e-05] [-5.77469343e-05 5.74353963e-05 -8.23052431e-05] [ 5.77469347e-05 5.74353951e-05 -8.23052429e-05] [-1.09479612e-12 5.41396349e-04 5.24115556e-04] [-1.78014535e-12 9.27223947e-04 -9.33950465e-04] [-7.98656631e-13 -9.27223947e-04 9.33950465e-04] [-1.86310664e-12 -5.41396350e-04 -5.24115555e-04] [-1.91307193e-04 7.69178945e-05 -2.03017407e-04] [-1.91307194e-04 -7.69178954e-05 2.03017406e-04] [ 1.91307192e-04 7.69178953e-05 -2.03017408e-04] [ 1.91307193e-04 -7.69178948e-05 2.03017407e-04] [-5.77469285e-05 -5.74354011e-05 8.23052438e-05] [ 5.77469250e-05 -5.74354053e-05 8.23052440e-05] [-5.77469284e-05 5.74354017e-05 -8.23052433e-05] [ 5.77469263e-05 5.74354047e-05 -8.23052435e-05]] Final stress: [ 3.26677557e-05 3.25883094e-05 1.97940810e-05 4.22087724e-05 -1.17790974e-16 -1.34034391e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.36852665e-04 -8.34055047e-15 3.38229444e-13] [ 2.36852665e-04 3.19952398e-13 2.42028619e-13] [ 2.56142330e-13 -2.39932001e-04 8.75302131e-05] [ 1.24969479e-13 2.39932001e-04 -8.75302126e-05] [ 1.39319112e-13 8.87293676e-05 -6.44923864e-04] [ 3.47846751e-13 -8.87293673e-05 6.44923864e-04] [-2.36852665e-04 -1.26887800e-13 2.51922980e-14] [ 2.36852665e-04 -3.99377539e-13 1.93680128e-13] [ 2.77416911e-14 -2.39932001e-04 8.75302126e-05] [-1.30519591e-13 2.39932001e-04 -8.75302134e-05] [ 7.92087921e-14 8.87293676e-05 -6.44923864e-04] [-3.38377262e-14 -8.87293678e-05 6.44923864e-04] [ 3.07865792e-04 4.64501335e-05 3.78670351e-04] [ 3.09158307e-05 -2.27700262e-04 5.66108706e-04] [ 3.09158320e-05 2.27700261e-04 -5.66108705e-04] [ 3.07865792e-04 -4.64501330e-05 -3.78670351e-04] [-3.09158321e-05 2.27700261e-04 -5.66108706e-04] [-3.07865791e-04 -4.64501320e-05 -3.78670350e-04] [-3.09158310e-05 -2.27700261e-04 5.66108706e-04] [-3.07865792e-04 4.64501330e-05 3.78670350e-04] [ 3.07865790e-04 4.64501322e-05 3.78670350e-04] [ 3.09158313e-05 -2.27700261e-04 5.66108705e-04] [ 3.09158314e-05 2.27700262e-04 -5.66108706e-04] [ 3.07865791e-04 -4.64501329e-05 -3.78670351e-04] [-3.09158309e-05 2.27700262e-04 -5.66108707e-04] [-3.07865792e-04 -4.64501337e-05 -3.78670351e-04] [-3.09158321e-05 -2.27700261e-04 5.66108705e-04] [-3.07865792e-04 4.64501333e-05 3.78670351e-04] [ 8.88469853e-13 -3.77128884e-14 8.73558170e-13] [-1.73372956e-13 1.94692792e-13 -5.06046248e-13] [-9.85322934e-14 -1.21063425e-03 -4.91783832e-04] [ 1.02695630e-14 -1.19535763e-04 8.30220540e-04] [ 1.70530257e-13 1.19535764e-04 -8.30220538e-04] [ 3.08642001e-14 1.21063425e-03 4.91783833e-04] [-5.44133046e-04 1.20175352e-04 1.71402704e-04] [-5.44133048e-04 -1.20175350e-04 -1.71402706e-04] [ 5.44133046e-04 1.20175352e-04 1.71402704e-04] [ 5.44133047e-04 -1.20175350e-04 -1.71402705e-04] [ 1.34723297e-04 1.35507640e-04 1.14869609e-04] [-1.34723295e-04 1.35507642e-04 1.14869609e-04] [ 1.34723299e-04 -1.35507639e-04 -1.14869608e-04] [-1.34723298e-04 -1.35507639e-04 -1.14869608e-04] [ 4.37014699e-13 -1.21063428e-03 -4.91783801e-04] [-4.10051276e-13 -1.19535735e-04 8.30220567e-04] [ 8.51453010e-15 1.19535734e-04 -8.30220569e-04] [-1.59643577e-13 1.21063428e-03 4.91783804e-04] [-5.44133017e-04 1.20175350e-04 1.71402675e-04] [-5.44133019e-04 -1.20175352e-04 -1.71402677e-04] [ 5.44133016e-04 1.20175350e-04 1.71402673e-04] [ 5.44133018e-04 -1.20175352e-04 -1.71402675e-04] [ 1.34723268e-04 1.35507669e-04 1.14869609e-04] [-1.34723267e-04 1.35507670e-04 1.14869609e-04] [ 1.34723268e-04 -1.35507669e-04 -1.14869608e-04] [-1.34723267e-04 -1.35507670e-04 -1.14869608e-04]] Final stress: [ 3.25511873e-05 3.24869149e-05 2.23048466e-05 -4.20367859e-05 2.74146963e-16 -1.47657902e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-5.89752549e-04 1.77213799e-12 -1.31783473e-12] [ 5.89752552e-04 1.61079483e-12 -1.52332313e-12] [ 2.46955234e-13 -5.96021964e-04 -1.23694179e-03] [-1.27049760e-12 5.96021969e-04 1.23694179e-03] [-1.72288572e-12 -1.22766315e-03 3.25864285e-03] [-4.29781211e-13 1.22766315e-03 -3.25864285e-03] [-5.89752551e-04 3.23493298e-13 -1.23597333e-12] [ 5.89752551e-04 -7.76284425e-13 4.03818783e-13] [-7.86529389e-13 -5.96021967e-04 -1.23694179e-03] [-3.09676032e-13 5.96021968e-04 1.23694179e-03] [ 3.93215077e-13 -1.22766315e-03 3.25864285e-03] [-8.24290058e-13 1.22766315e-03 -3.25864285e-03] [-1.03751877e-03 -2.76700763e-04 -5.74780049e-04] [ 1.93768882e-04 1.03164578e-03 -1.34641899e-03] [ 1.93768877e-04 -1.03164578e-03 1.34641899e-03] [-1.03751877e-03 2.76700764e-04 5.74780045e-04] [-1.93768877e-04 -1.03164577e-03 1.34641898e-03] [ 1.03751877e-03 2.76700763e-04 5.74780048e-04] [-1.93768883e-04 1.03164578e-03 -1.34641899e-03] [ 1.03751877e-03 -2.76700761e-04 -5.74780045e-04] [-1.03751877e-03 -2.76700761e-04 -5.74780046e-04] [ 1.93768877e-04 1.03164578e-03 -1.34641899e-03] [ 1.93768884e-04 -1.03164578e-03 1.34641899e-03] [-1.03751877e-03 2.76700760e-04 5.74780046e-04] [-1.93768879e-04 -1.03164578e-03 1.34641899e-03] [ 1.03751877e-03 2.76700765e-04 5.74780049e-04] [-1.93768880e-04 1.03164577e-03 -1.34641899e-03] [ 1.03751877e-03 -2.76700764e-04 -5.74780046e-04] [-3.66490865e-12 -7.87175880e-13 -3.09446913e-12] [ 3.48199618e-13 -5.46797574e-12 2.33729096e-12] [ 3.46583873e-12 4.69068134e-03 4.70897435e-03] [ 5.08276754e-12 2.25103968e-03 -2.28454226e-03] [ 3.40555362e-12 -2.25103967e-03 2.28454227e-03] [ 5.90510973e-12 -4.69068131e-03 -4.70897438e-03] [ 1.23983145e-03 6.82690507e-04 1.24901802e-03] [ 1.23983147e-03 -6.82690492e-04 -1.24901800e-03] [-1.23983145e-03 6.82690504e-04 1.24901802e-03] [-1.23983145e-03 -6.82690494e-04 -1.24901801e-03] [ 1.15008872e-03 1.16650381e-03 6.76409757e-04] [-1.15008871e-03 1.16650382e-03 6.76409759e-04] [ 1.15008872e-03 -1.16650381e-03 -6.76409754e-04] [-1.15008872e-03 -1.16650381e-03 -6.76409751e-04] [-4.28779829e-12 4.69068131e-03 4.70897438e-03] [-8.05586250e-12 2.25103967e-03 -2.28454226e-03] [ 1.99881344e-13 -2.25103969e-03 2.28454225e-03] [-2.56672607e-12 -4.69068130e-03 -4.70897438e-03] [ 1.23983146e-03 6.82690493e-04 1.24901801e-03] [ 1.23983147e-03 -6.82690507e-04 -1.24901800e-03] [-1.23983147e-03 6.82690496e-04 1.24901799e-03] [-1.23983148e-03 -6.82690506e-04 -1.24901799e-03] [ 1.15008871e-03 1.16650382e-03 6.76409754e-04] [-1.15008872e-03 1.16650381e-03 6.76409750e-04] [ 1.15008869e-03 -1.16650384e-03 -6.76409752e-04] [-1.15008870e-03 -1.16650383e-03 -6.76409757e-04]] Final stress: [-4.87246525e-05 -5.08261961e-05 -1.00236013e-05 4.41901241e-05 2.25566617e-15 -1.20414001e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-8.18016448e-05 5.77177195e-14 4.51749749e-13] [ 8.18016575e-05 6.20017926e-13 7.06879000e-13] [ 1.13500875e-12 -9.79692690e-05 -1.17786749e-03] [-5.67698666e-13 9.79692711e-05 1.17786749e-03] [-8.74370021e-13 -1.18943540e-03 3.00383505e-03] [ 1.93428606e-13 1.18943540e-03 -3.00383504e-03] [-8.18016584e-05 1.24537779e-12 -2.28124518e-12] [ 8.18016427e-05 -9.32516502e-13 -8.07334505e-13] [ 6.30679961e-13 -9.79692670e-05 -1.17786749e-03] [ 9.35779381e-13 9.79692704e-05 1.17786749e-03] [ 6.72650453e-13 -1.18943541e-03 3.00383504e-03] [ 3.43431867e-13 1.18943540e-03 -3.00383505e-03] [-8.25117444e-04 -9.92029776e-04 -1.66510200e-03] [ 1.90200862e-03 1.77137035e-03 -2.48116730e-03] [ 1.90200862e-03 -1.77137036e-03 2.48116731e-03] [-8.25117441e-04 9.92029774e-04 1.66510200e-03] [-1.90200863e-03 -1.77137036e-03 2.48116731e-03] [ 8.25117438e-04 9.92029769e-04 1.66510199e-03] [-1.90200863e-03 1.77137037e-03 -2.48116731e-03] [ 8.25117440e-04 -9.92029769e-04 -1.66510199e-03] [-8.25117439e-04 -9.92029766e-04 -1.66510199e-03] [ 1.90200863e-03 1.77137036e-03 -2.48116731e-03] [ 1.90200863e-03 -1.77137037e-03 2.48116731e-03] [-8.25117442e-04 9.92029768e-04 1.66510199e-03] [-1.90200862e-03 -1.77137036e-03 2.48116730e-03] [ 8.25117443e-04 9.92029776e-04 1.66510200e-03] [-1.90200863e-03 1.77137036e-03 -2.48116730e-03] [ 8.25117441e-04 -9.92029771e-04 -1.66510200e-03] [-8.65334887e-12 -2.81920320e-12 -9.77579129e-13] [ 1.12005803e-11 -2.99614094e-12 1.53615450e-12] [ 1.19324550e-11 -1.28114130e-03 -1.33162498e-03] [ 1.62113101e-11 -1.83056007e-03 1.79928660e-03] [ 1.65734093e-11 1.83056010e-03 -1.79928657e-03] [ 1.41711087e-11 1.28114129e-03 1.33162499e-03] [ 2.84281350e-04 6.84173933e-04 2.50770038e-04] [ 2.84281395e-04 -6.84173933e-04 -2.50769999e-04] [-2.84281331e-04 6.84173934e-04 2.50770062e-04] [-2.84281366e-04 -6.84173937e-04 -2.50770036e-04] [-1.15669305e-03 -1.14946486e-03 6.89226353e-04] [ 1.15669307e-03 -1.14946484e-03 6.89226361e-04] [-1.15669306e-03 1.14946485e-03 -6.89226331e-04] [ 1.15669308e-03 1.14946483e-03 -6.89226330e-04] [-1.43375428e-11 -1.28114129e-03 -1.33162499e-03] [-1.80070337e-11 -1.83056009e-03 1.79928659e-03] [-9.03659835e-12 1.83056006e-03 -1.79928661e-03] [-9.09916328e-12 1.28114134e-03 1.33162494e-03] [ 2.84281377e-04 6.84173940e-04 2.50770026e-04] [ 2.84281355e-04 -6.84173940e-04 -2.50770041e-04] [-2.84281397e-04 6.84173937e-04 2.50769996e-04] [-2.84281378e-04 -6.84173936e-04 -2.50770011e-04] [-1.15669309e-03 -1.14946482e-03 6.89226329e-04] [ 1.15669306e-03 -1.14946485e-03 6.89226324e-04] [-1.15669309e-03 1.14946481e-03 -6.89226354e-04] [ 1.15669307e-03 1.14946484e-03 -6.89226353e-04]] Final stress: [-3.90313228e-05 -3.96084285e-05 -3.06790592e-05 -3.92467852e-05 2.33574651e-15 -2.79453140e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.60912703e-05 -3.40422135e-14 3.82446567e-05] [ 1.60912720e-05 -1.44245726e-13 -3.82446568e-05] [ 2.07764361e-13 -1.38768953e-05 1.22263311e-13] [ 3.30360739e-13 1.38768950e-05 5.03902475e-14] [ 3.71280956e-05 1.15032983e-13 -6.53928834e-04] [-3.71280958e-05 1.03597686e-13 6.53928834e-04] [-1.60912716e-05 -5.18524814e-13 3.82446567e-05] [ 1.60912696e-05 -1.79134167e-13 -3.82446571e-05] [ 3.06092972e-13 -1.38768950e-05 6.45848832e-14] [ 2.93821499e-14 1.38768956e-05 -6.11386823e-14] [ 3.71280956e-05 1.33972324e-13 -6.53928835e-04] [-3.71280958e-05 8.10743616e-14 6.53928834e-04] [ 2.27058321e-04 7.31723232e-05 4.24062362e-04] [-1.30284104e-04 -2.86278691e-04 3.20491247e-04] [-2.27058321e-04 7.31723241e-05 -4.24062362e-04] [ 1.30284104e-04 -2.86278690e-04 -3.20491245e-04] [ 1.30284104e-04 2.86278690e-04 -3.20491246e-04] [-2.27058321e-04 -7.31723240e-05 -4.24062362e-04] [ 2.27058320e-04 -7.31723226e-05 4.24062361e-04] [-1.30284104e-04 2.86278691e-04 3.20491247e-04] [ 2.27058321e-04 7.31723240e-05 4.24062362e-04] [-1.30284104e-04 -2.86278690e-04 3.20491246e-04] [-2.27058320e-04 7.31723229e-05 -4.24062361e-04] [ 1.30284104e-04 -2.86278691e-04 -3.20491247e-04] [ 1.30284104e-04 2.86278691e-04 -3.20491247e-04] [-2.27058321e-04 -7.31723234e-05 -4.24062362e-04] [ 2.27058321e-04 -7.31723237e-05 4.24062362e-04] [-1.30284104e-04 2.86278690e-04 3.20491246e-04] [-4.65488759e-13 2.29122277e-14 -2.71699330e-13] [ 1.28892266e-12 -8.57396107e-13 -2.13099277e-13] [-6.37187808e-05 -2.57382086e-04 -3.45720670e-05] [-6.37187813e-05 2.57382085e-04 -3.45720691e-05] [ 6.37187856e-05 -2.57382085e-04 3.45720676e-05] [ 6.37187847e-05 2.57382084e-04 3.45720700e-05] [ 3.05448907e-04 -5.06927833e-13 5.24292796e-04] [-8.23194409e-04 -4.88942220e-13 5.96750359e-04] [ 8.23194418e-04 -4.49640325e-15 -5.96750349e-04] [-3.05448904e-04 -1.65256697e-13 -5.24292802e-04] [ 1.05933995e-04 1.05755249e-04 -5.94423625e-05] [-1.05933993e-04 1.05755253e-04 5.94423640e-05] [ 1.05933997e-04 -1.05755248e-04 -5.94423625e-05] [-1.05933993e-04 -1.05755253e-04 5.94423638e-05] [-6.37187859e-05 -2.57382065e-04 -3.45720884e-05] [-6.37187855e-05 2.57382064e-04 -3.45720891e-05] [ 6.37187798e-05 -2.57382067e-04 3.45720863e-05] [ 6.37187803e-05 2.57382066e-04 3.45720870e-05] [ 3.05448885e-04 7.70384831e-13 5.24292820e-04] [-8.23194434e-04 5.45282913e-13 5.96750332e-04] [ 8.23194431e-04 6.58593736e-14 -5.96750336e-04] [-3.05448887e-04 -4.78492459e-14 -5.24292818e-04] [ 1.05934010e-04 1.05755235e-04 -5.94423640e-05] [-1.05934016e-04 1.05755229e-04 5.94423626e-05] [ 1.05934012e-04 -1.05755234e-04 -5.94423642e-05] [-1.05934018e-04 -1.05755227e-04 5.94423627e-05]] Final stress: [ 3.19461927e-05 3.19899714e-05 2.19876188e-05 -2.15880254e-16 4.18827154e-05 -4.16041072e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 4.83384506e-03 5.58521285e-12 9.44045417e-03] [-4.83384497e-03 1.80583326e-12 -9.44045416e-03] [-1.75732068e-11 5.82509564e-03 6.69171663e-12] [-1.81211018e-11 -5.82509566e-03 1.08821563e-11] [ 1.17974377e-02 1.06723033e-11 -3.57161106e-02] [-1.17974377e-02 -9.29284427e-12 3.57161106e-02] [ 4.83384500e-03 -1.38541434e-11 9.44045417e-03] [-4.83384503e-03 4.91012430e-12 -9.44045417e-03] [ 3.70884293e-12 5.82509566e-03 -1.49243171e-11] [ 8.24130046e-12 -5.82509563e-03 -4.83841754e-12] [ 1.17974377e-02 -1.01070992e-11 -3.57161106e-02] [-1.17974377e-02 1.18637570e-12 3.57161107e-02] [-7.71078955e-04 1.37705641e-02 1.61988658e-02] [-5.63983121e-03 1.47030585e-03 1.99240673e-02] [ 7.71078959e-04 1.37705641e-02 -1.61988659e-02] [ 5.63983111e-03 1.47030593e-03 -1.99240673e-02] [ 5.63983111e-03 -1.47030595e-03 -1.99240672e-02] [ 7.71078987e-04 -1.37705641e-02 -1.61988658e-02] [-7.71078971e-04 -1.37705641e-02 1.61988658e-02] [-5.63983121e-03 -1.47030583e-03 1.99240673e-02] [-7.71078978e-04 1.37705641e-02 1.61988658e-02] [-5.63983109e-03 1.47030596e-03 1.99240673e-02] [ 7.71078979e-04 1.37705641e-02 -1.61988658e-02] [ 5.63983121e-03 1.47030583e-03 -1.99240673e-02] [ 5.63983120e-03 -1.47030584e-03 -1.99240673e-02] [ 7.71078963e-04 -1.37705641e-02 -1.61988658e-02] [-7.71078948e-04 -1.37705641e-02 1.61988659e-02] [-5.63983111e-03 -1.47030593e-03 1.99240673e-02] [-9.82571524e-11 1.16942428e-11 5.46206830e-11] [ 4.71304663e-11 -1.92574442e-11 -6.66653677e-11] [-1.10173941e-02 -3.56401183e-02 1.71198332e-02] [-1.10173941e-02 3.56401183e-02 1.71198332e-02] [ 1.10173941e-02 -3.56401186e-02 -1.71198333e-02] [ 1.10173941e-02 3.56401186e-02 -1.71198333e-02] [-6.65594650e-02 -2.52032839e-11 -1.48215291e-02] [-8.00726516e-03 9.79555326e-12 -4.23992062e-02] [ 8.00726498e-03 -1.54116164e-11 4.23992061e-02] [ 6.65594651e-02 3.78108655e-12 1.48215290e-02] [ 3.64211892e-03 1.88456056e-03 -8.27427152e-03] [-3.64211883e-03 1.88456068e-03 8.27427137e-03] [ 3.64211890e-03 -1.88456057e-03 -8.27427153e-03] [-3.64211880e-03 -1.88456072e-03 8.27427134e-03] [-1.10173941e-02 -3.56401187e-02 1.71198335e-02] [-1.10173941e-02 3.56401187e-02 1.71198335e-02] [ 1.10173940e-02 -3.56401185e-02 -1.71198334e-02] [ 1.10173941e-02 3.56401186e-02 -1.71198334e-02] [-6.65594650e-02 1.84100127e-11 -1.48215291e-02] [-8.00726480e-03 -7.31977808e-12 -4.23992059e-02] [ 8.00726495e-03 4.02328158e-12 4.23992060e-02] [ 6.65594647e-02 2.71111966e-12 1.48215294e-02] [ 3.64211868e-03 1.88456083e-03 -8.27427137e-03] [-3.64211867e-03 1.88456081e-03 8.27427153e-03] [ 3.64211867e-03 -1.88456083e-03 -8.27427134e-03] [-3.64211866e-03 -1.88456082e-03 8.27427156e-03]] Final stress: [ 4.02676672e-05 2.25338073e-04 -3.17035103e-04 -5.06291594e-15 -8.22559359e-05 1.17480777e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.34997741e-04 -6.36810049e-13 -1.85322176e-05] [ 1.34997738e-04 3.25128813e-13 1.85322168e-05] [ 5.47895063e-14 -1.33616498e-04 -4.31321645e-14] [ 3.69593245e-13 1.33616498e-04 1.75928716e-13] [-1.77167328e-05 8.49459392e-14 8.66513324e-04] [ 1.77167331e-05 -2.20018448e-13 -8.66513322e-04] [-1.34997738e-04 1.24905131e-13 -1.85322176e-05] [ 1.34997740e-04 -4.72226492e-13 1.85322174e-05] [-3.05380949e-13 -1.33616498e-04 1.47131924e-13] [-3.57200611e-13 1.33616498e-04 4.91332987e-13] [-1.77167329e-05 3.32030550e-13 8.66513323e-04] [ 1.77167328e-05 -7.81330702e-14 -8.66513324e-04] [-2.22980402e-04 -3.73193456e-04 -3.61656165e-04] [ 3.03901795e-04 1.50402536e-04 -4.36335811e-04] [ 2.22980402e-04 -3.73193458e-04 3.61656166e-04] [-3.03901792e-04 1.50402533e-04 4.36335808e-04] [-3.03901793e-04 -1.50402534e-04 4.36335809e-04] [ 2.22980402e-04 3.73193457e-04 3.61656166e-04] [-2.22980402e-04 3.73193457e-04 -3.61656166e-04] [ 3.03901795e-04 -1.50402535e-04 -4.36335811e-04] [-2.22980402e-04 -3.73193457e-04 -3.61656167e-04] [ 3.03901793e-04 1.50402534e-04 -4.36335809e-04] [ 2.22980402e-04 -3.73193456e-04 3.61656165e-04] [-3.03901795e-04 1.50402536e-04 4.36335811e-04] [-3.03901794e-04 -1.50402536e-04 4.36335811e-04] [ 2.22980402e-04 3.73193456e-04 3.61656165e-04] [-2.22980403e-04 3.73193457e-04 -3.61656166e-04] [ 3.03901792e-04 -1.50402532e-04 -4.36335807e-04] [ 2.58033872e-12 -4.38274417e-13 -9.29555044e-13] [-1.48778259e-12 -2.25208438e-13 9.85458615e-13] [ 7.62839316e-05 2.04119284e-04 2.28266890e-04] [ 7.62839322e-05 -2.04119285e-04 2.28266890e-04] [-7.62839374e-05 2.04119288e-04 -2.28266887e-04] [-7.62839367e-05 -2.04119286e-04 -2.28266890e-04] [ 8.94761536e-04 1.20625732e-13 9.23376559e-04] [-4.89983944e-04 2.68118860e-13 4.71066400e-04] [ 4.89983941e-04 6.32327524e-13 -4.71066406e-04] [-8.94761544e-04 3.52495810e-14 -9.23376549e-04] [ 2.38397466e-05 2.34765222e-05 7.14374405e-05] [-2.38397500e-05 2.34765176e-05 -7.14374374e-05] [ 2.38397474e-05 -2.34765217e-05 7.14374405e-05] [-2.38397509e-05 -2.34765169e-05 -7.14374378e-05] [ 7.62839380e-05 2.04119236e-04 2.28266940e-04] [ 7.62839369e-05 -2.04119237e-04 2.28266939e-04] [-7.62839316e-05 2.04119233e-04 -2.28266942e-04] [-7.62839318e-05 -2.04119233e-04 -2.28266941e-04] [ 8.94761594e-04 -8.89237174e-13 9.23376500e-04] [-4.89983890e-04 -2.57978641e-13 4.71066456e-04] [ 4.89983890e-04 -7.46823756e-13 -4.71066453e-04] [-8.94761588e-04 -7.72055224e-14 -9.23376506e-04] [ 2.38397007e-05 2.34765670e-05 7.14374384e-05] [-2.38396950e-05 2.34765739e-05 -7.14374394e-05] [ 2.38396997e-05 -2.34765671e-05 7.14374374e-05] [-2.38396945e-05 -2.34765744e-05 -7.14374403e-05]] Final stress: [-4.15818276e-05 -4.15036321e-05 -2.88915594e-05 -4.88657792e-16 4.21643781e-05 5.57522693e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-6.95125138e-05 -1.23266675e-12 -1.76094235e-04] [ 6.95125146e-05 1.49602553e-13 1.76094234e-04] [-7.19979631e-14 -6.59040266e-05 3.84456356e-13] [-4.67820227e-14 6.59040282e-05 -1.63133396e-13] [-1.78676746e-04 -5.02806130e-13 1.16974024e-03] [ 1.78676746e-04 -3.65471542e-13 -1.16974024e-03] [-6.95125124e-05 3.52782704e-13 -1.76094235e-04] [ 6.95125150e-05 6.16996153e-13 1.76094236e-04] [-1.27585622e-13 -6.59040250e-05 -8.58518309e-13] [ 4.77434268e-13 6.59040276e-05 3.62204854e-13] [-1.78676745e-04 4.25502006e-13 1.16974024e-03] [ 1.78676744e-04 7.46565082e-14 -1.16974024e-03] [-3.77206188e-04 -2.16129217e-04 -5.95096502e-04] [ 5.06562311e-04 6.61489525e-04 -7.35910427e-04] [ 3.77206189e-04 -2.16129217e-04 5.95096502e-04] [-5.06562310e-04 6.61489523e-04 7.35910427e-04] [-5.06562312e-04 -6.61489526e-04 7.35910429e-04] [ 3.77206190e-04 2.16129217e-04 5.95096503e-04] [-3.77206188e-04 2.16129217e-04 -5.95096502e-04] [ 5.06562312e-04 -6.61489527e-04 -7.35910429e-04] [-3.77206189e-04 -2.16129218e-04 -5.95096501e-04] [ 5.06562312e-04 6.61489527e-04 -7.35910430e-04] [ 3.77206189e-04 -2.16129216e-04 5.95096502e-04] [-5.06562311e-04 6.61489526e-04 7.35910429e-04] [-5.06562309e-04 -6.61489524e-04 7.35910428e-04] [ 3.77206189e-04 2.16129217e-04 5.95096502e-04] [-3.77206190e-04 2.16129217e-04 -5.95096501e-04] [ 5.06562309e-04 -6.61489524e-04 -7.35910426e-04] [-6.23667784e-14 -2.01824668e-12 1.38090928e-12] [-2.34759690e-12 -5.91666925e-13 4.38844159e-13] [ 1.31373062e-04 2.32136297e-04 2.07351796e-04] [ 1.31373062e-04 -2.32136301e-04 2.07351792e-04] [-1.31373064e-04 2.32136296e-04 -2.07351798e-04] [-1.31373064e-04 -2.32136301e-04 -2.07351793e-04] [-6.20845970e-04 -1.55320201e-12 -6.52052728e-04] [ 1.07906720e-03 -2.34529063e-12 -1.05918061e-03] [-1.07906719e-03 -1.79706250e-12 1.05918061e-03] [ 6.20845969e-04 -2.49533727e-12 6.52052728e-04] [-1.60923814e-04 -1.61655855e-04 1.36702449e-04] [ 1.60923814e-04 -1.61655856e-04 -1.36702450e-04] [-1.60923817e-04 1.61655853e-04 1.36702449e-04] [ 1.60923814e-04 1.61655856e-04 -1.36702449e-04] [ 1.31373062e-04 2.32136330e-04 2.07351764e-04] [ 1.31373061e-04 -2.32136327e-04 2.07351767e-04] [-1.31373061e-04 2.32136328e-04 -2.07351766e-04] [-1.31373063e-04 -2.32136326e-04 -2.07351768e-04] [-6.20845997e-04 5.97919531e-13 -6.52052701e-04] [ 1.07906717e-03 8.21270811e-13 -1.05918064e-03] [-1.07906716e-03 1.17354104e-12 1.05918064e-03] [ 6.20845998e-04 1.30589301e-12 6.52052699e-04] [-1.60923789e-04 -1.61655881e-04 1.36702450e-04] [ 1.60923788e-04 -1.61655882e-04 -1.36702452e-04] [-1.60923784e-04 1.61655886e-04 1.36702450e-04] [ 1.60923782e-04 1.61655887e-04 -1.36702452e-04]] Final stress: [-4.11719904e-05 -4.10491895e-05 -2.95992592e-05 1.50307866e-16 -4.16559707e-05 1.36042245e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.23364557e-04 4.40111213e-05 8.21495649e-13] [-1.23364557e-04 -4.40111207e-05 1.24886212e-13] [ 4.40111211e-05 1.23364557e-04 2.23154828e-14] [-4.40111211e-05 -1.23364557e-04 -1.86767268e-13] [ 2.92599278e-13 -5.70668512e-13 -6.78841385e-04] [ 2.85091395e-13 1.75970349e-13 6.78841383e-04] [ 1.23364557e-04 4.40111204e-05 5.97455491e-14] [-1.23364557e-04 -4.40111211e-05 1.76368238e-13] [ 4.40111209e-05 1.23364557e-04 -3.66753933e-13] [-4.40111211e-05 -1.23364557e-04 1.35736874e-13] [-5.38359305e-14 3.78455603e-13 -6.78841384e-04] [-1.19877781e-13 -1.27956239e-13 6.78841385e-04] [ 1.51483520e-04 1.51483520e-04 1.89038822e-04] [-1.51483520e-04 -1.51483519e-04 1.89038821e-04] [-2.13271809e-04 2.13271809e-04 -4.57875117e-04] [ 2.13271808e-04 -2.13271808e-04 -4.57875116e-04] [ 1.51483520e-04 1.51483519e-04 -1.89038822e-04] [-1.51483519e-04 -1.51483519e-04 -1.89038821e-04] [ 2.13271811e-04 -2.13271810e-04 4.57875119e-04] [-2.13271809e-04 2.13271809e-04 4.57875117e-04] [ 1.51483519e-04 1.51483518e-04 1.89038822e-04] [-1.51483519e-04 -1.51483519e-04 1.89038822e-04] [-2.13271811e-04 2.13271811e-04 -4.57875118e-04] [ 2.13271809e-04 -2.13271809e-04 -4.57875117e-04] [ 1.51483520e-04 1.51483520e-04 -1.89038821e-04] [-1.51483520e-04 -1.51483520e-04 -1.89038823e-04] [ 2.13271808e-04 -2.13271809e-04 4.57875118e-04] [-2.13271808e-04 2.13271807e-04 4.57875116e-04] [ 2.77229628e-13 -1.21361254e-14 2.30378217e-12] [-3.64152998e-13 -6.57573809e-14 -5.42631914e-13] [-4.81744025e-05 -1.53755836e-04 -1.07598521e-04] [ 4.81744031e-05 1.53755836e-04 -1.07598522e-04] [-4.81744039e-05 -1.53755838e-04 1.07598521e-04] [ 4.81744019e-05 1.53755839e-04 1.07598520e-04] [-1.53755836e-04 -4.81744014e-05 -1.07598521e-04] [-1.53755843e-04 -4.81744033e-05 1.07598515e-04] [ 1.53755835e-04 4.81744039e-05 -1.07598523e-04] [ 1.53755843e-04 4.81744023e-05 1.07598516e-04] [ 5.89701293e-04 5.89701289e-04 -4.03133082e-12] [ 5.28310396e-04 -5.28310407e-04 -3.90648625e-12] [-5.28310397e-04 5.28310404e-04 -1.45733425e-12] [-5.89701295e-04 -5.89701285e-04 -1.33554279e-12] [-4.81744026e-05 -1.53755845e-04 -1.07598515e-04] [ 4.81744043e-05 1.53755846e-04 -1.07598512e-04] [-4.81744026e-05 -1.53755838e-04 1.07598519e-04] [ 4.81744041e-05 1.53755835e-04 1.07598522e-04] [-1.53755835e-04 -4.81744035e-05 -1.07598524e-04] [-1.53755833e-04 -4.81744021e-05 1.07598525e-04] [ 1.53755838e-04 4.81744015e-05 -1.07598521e-04] [ 1.53755834e-04 4.81744030e-05 1.07598523e-04] [ 5.89701290e-04 5.89701290e-04 2.55552662e-12] [ 5.28310401e-04 -5.28310401e-04 2.02811775e-12] [-5.28310402e-04 5.28310402e-04 1.93104553e-12] [-5.89701289e-04 -5.89701291e-04 1.20850138e-12]] Final stress: [ 3.24096570e-05 3.24096570e-05 2.02798185e-05 8.06721454e-16 -7.75492175e-16 4.20143775e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.20509879e-03 -1.22625301e-02 1.50496282e-12] [-1.20509884e-03 1.22625301e-02 -1.65995828e-11] [-1.22625301e-02 1.20509882e-03 -1.84878501e-12] [ 1.22625301e-02 -1.20509881e-03 9.24685328e-12] [-1.04128511e-11 -1.19836363e-11 -2.36588757e-02] [-8.82260931e-12 1.99046335e-12 2.36588757e-02] [ 1.20509885e-03 -1.22625301e-02 -5.91003044e-12] [-1.20509882e-03 1.22625301e-02 -8.11659007e-12] [-1.22625301e-02 1.20509883e-03 9.46447825e-12] [ 1.22625301e-02 -1.20509882e-03 8.69008314e-12] [ 1.04785014e-11 -2.27534383e-12 -2.36588757e-02] [-1.58793485e-11 7.42121490e-12 2.36588757e-02] [ 1.08806120e-02 1.08806121e-02 2.01917236e-02] [-1.08806120e-02 -1.08806121e-02 2.01917236e-02] [-7.51061676e-03 7.51061674e-03 -1.57073335e-02] [ 7.51061674e-03 -7.51061671e-03 -1.57073335e-02] [ 1.08806120e-02 1.08806120e-02 -2.01917236e-02] [-1.08806121e-02 -1.08806121e-02 -2.01917236e-02] [ 7.51061675e-03 -7.51061676e-03 1.57073335e-02] [-7.51061670e-03 7.51061671e-03 1.57073335e-02] [ 1.08806121e-02 1.08806121e-02 2.01917236e-02] [-1.08806120e-02 -1.08806120e-02 2.01917236e-02] [-7.51061674e-03 7.51061676e-03 -1.57073335e-02] [ 7.51061673e-03 -7.51061669e-03 -1.57073335e-02] [ 1.08806120e-02 1.08806121e-02 -2.01917236e-02] [-1.08806120e-02 -1.08806120e-02 -2.01917236e-02] [ 7.51061678e-03 -7.51061676e-03 1.57073335e-02] [-7.51061672e-03 7.51061676e-03 1.57073335e-02] [ 6.42394471e-12 -2.83787160e-11 -2.50399354e-11] [-8.95808091e-12 3.80283143e-12 -8.97691625e-12] [ 6.69161238e-03 -1.89845763e-03 -2.92953781e-03] [-6.69161241e-03 1.89845765e-03 -2.92953776e-03] [ 6.69161237e-03 -1.89845764e-03 2.92953778e-03] [-6.69161244e-03 1.89845765e-03 2.92953776e-03] [-1.89845764e-03 6.69161242e-03 -2.92953775e-03] [-1.89845760e-03 6.69161241e-03 2.92953779e-03] [ 1.89845764e-03 -6.69161238e-03 -2.92953774e-03] [ 1.89845761e-03 -6.69161238e-03 2.92953779e-03] [-4.16963484e-04 -4.16963306e-04 9.05181485e-12] [-2.19666378e-02 2.19666379e-02 3.46604967e-11] [ 2.19666378e-02 -2.19666379e-02 4.66471306e-12] [ 4.16963334e-04 4.16963427e-04 1.99684713e-11] [ 6.69161243e-03 -1.89845762e-03 -2.92953777e-03] [-6.69161240e-03 1.89845757e-03 -2.92953784e-03] [ 6.69161244e-03 -1.89845768e-03 2.92953772e-03] [-6.69161239e-03 1.89845762e-03 2.92953778e-03] [-1.89845760e-03 6.69161241e-03 -2.92953780e-03] [-1.89845763e-03 6.69161237e-03 2.92953778e-03] [ 1.89845767e-03 -6.69161241e-03 -2.92953769e-03] [ 1.89845769e-03 -6.69161241e-03 2.92953771e-03] [-4.16963349e-04 -4.16963394e-04 4.71102333e-12] [-2.19666379e-02 2.19666378e-02 6.35657164e-12] [ 2.19666378e-02 -2.19666379e-02 8.23869890e-12] [ 4.16963397e-04 4.16963356e-04 -8.79595091e-12]] Final stress: [-3.42466539e-06 -3.42466536e-06 3.37383655e-05 2.95802058e-14 -4.80888985e-14 -7.45963800e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.62881399e-04 1.05045203e-03 2.32623643e-12] [ 2.62881401e-04 -1.05045203e-03 1.51587076e-12] [ 1.05045203e-03 -2.62881401e-04 3.15021620e-12] [-1.05045203e-03 2.62881403e-04 -5.92581539e-14] [-6.09359785e-13 -2.39183673e-13 3.88860516e-03] [-3.90855404e-12 8.24146307e-13 -3.88860516e-03] [-2.62881407e-04 1.05045203e-03 1.04330065e-12] [ 2.62881401e-04 -1.05045203e-03 -6.39839500e-13] [ 1.05045203e-03 -2.62881398e-04 -2.77047900e-12] [-1.05045203e-03 2.62881400e-04 -2.00929356e-12] [ 1.64252563e-13 9.83931999e-13 3.88860515e-03] [ 1.68244827e-12 3.71589464e-13 -3.88860516e-03] [-1.99736399e-03 -1.99736399e-03 -3.15383419e-03] [ 1.99736399e-03 1.99736399e-03 -3.15383419e-03] [ 1.05567507e-03 -1.05567506e-03 1.55560240e-03] [-1.05567507e-03 1.05567507e-03 1.55560241e-03] [-1.99736399e-03 -1.99736399e-03 3.15383420e-03] [ 1.99736399e-03 1.99736398e-03 3.15383419e-03] [-1.05567506e-03 1.05567506e-03 -1.55560240e-03] [ 1.05567506e-03 -1.05567506e-03 -1.55560240e-03] [-1.99736398e-03 -1.99736399e-03 -3.15383419e-03] [ 1.99736400e-03 1.99736400e-03 -3.15383420e-03] [ 1.05567506e-03 -1.05567506e-03 1.55560240e-03] [-1.05567506e-03 1.05567507e-03 1.55560240e-03] [-1.99736399e-03 -1.99736399e-03 3.15383419e-03] [ 1.99736399e-03 1.99736399e-03 3.15383419e-03] [-1.05567506e-03 1.05567507e-03 -1.55560240e-03] [ 1.05567507e-03 -1.05567507e-03 -1.55560240e-03] [-4.91431895e-12 -2.41779513e-12 6.17563639e-12] [ 6.63095870e-12 -1.27165640e-12 1.47867246e-12] [-5.59370807e-04 8.65729022e-04 1.24672767e-04] [ 5.59370800e-04 -8.65729043e-04 1.24672744e-04] [-5.59370806e-04 8.65729037e-04 -1.24672752e-04] [ 5.59370802e-04 -8.65729049e-04 -1.24672740e-04] [ 8.65728951e-04 -5.59370800e-04 1.24672831e-04] [ 8.65728951e-04 -5.59370805e-04 -1.24672833e-04] [-8.65728953e-04 5.59370802e-04 1.24672836e-04] [-8.65728958e-04 5.59370798e-04 -1.24672829e-04] [ 1.23815322e-03 1.23815313e-03 8.24562640e-13] [ 3.49535329e-03 -3.49535339e-03 -1.00369713e-12] [-3.49535329e-03 3.49535339e-03 4.93793895e-12] [-1.23815324e-03 -1.23815312e-03 3.27132765e-12] [-5.59370801e-04 8.65728948e-04 1.24672839e-04] [ 5.59370803e-04 -8.65728950e-04 1.24672835e-04] [-5.59370804e-04 8.65728942e-04 -1.24672845e-04] [ 5.59370800e-04 -8.65728952e-04 -1.24672830e-04] [ 8.65729048e-04 -5.59370804e-04 1.24672738e-04] [ 8.65729044e-04 -5.59370798e-04 -1.24672747e-04] [-8.65729044e-04 5.59370802e-04 1.24672744e-04] [-8.65729037e-04 5.59370807e-04 -1.24672753e-04] [ 1.23815313e-03 1.23815323e-03 -3.42896581e-12] [ 3.49535339e-03 -3.49535329e-03 6.44910031e-13] [-3.49535337e-03 3.49535332e-03 -6.66797893e-12] [-1.23815314e-03 -1.23815322e-03 -2.62249512e-12]] Final stress: [-4.20287929e-05 -4.20287929e-05 -2.49059719e-05 -1.14690982e-15 -4.25138568e-15 3.98337686e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-6.34177602e-05 -1.73597793e-04 -8.39051051e-14] [ 6.34177619e-05 1.73597792e-04 -5.49074675e-13] [-1.73597793e-04 -6.34177604e-05 5.80327453e-13] [ 1.73597793e-04 6.34177623e-05 1.01224584e-13] [ 2.81302759e-14 1.13672960e-13 8.07468040e-04] [ 4.56384930e-13 -4.67098582e-13 -8.07468041e-04] [-6.34177600e-05 -1.73597792e-04 1.47961742e-13] [ 6.34177612e-05 1.73597792e-04 -3.77064780e-14] [-1.73597792e-04 -6.34177621e-05 -4.70427128e-13] [ 1.73597792e-04 6.34177612e-05 -5.08392550e-13] [ 5.31045394e-14 1.87603139e-13 8.07468040e-04] [-6.48059351e-14 3.01661338e-13 -8.07468041e-04] [-2.71496058e-04 -2.71496058e-04 -3.36294639e-04] [ 2.71496057e-04 2.71496057e-04 -3.36294637e-04] [ 3.59301953e-04 -3.59301953e-04 6.04489874e-04] [-3.59301952e-04 3.59301952e-04 6.04489872e-04] [-2.71496058e-04 -2.71496058e-04 3.36294639e-04] [ 2.71496058e-04 2.71496058e-04 3.36294638e-04] [-3.59301952e-04 3.59301952e-04 -6.04489872e-04] [ 3.59301953e-04 -3.59301952e-04 -6.04489872e-04] [-2.71496058e-04 -2.71496057e-04 -3.36294639e-04] [ 2.71496059e-04 2.71496058e-04 -3.36294639e-04] [ 3.59301952e-04 -3.59301953e-04 6.04489872e-04] [-3.59301952e-04 3.59301953e-04 6.04489873e-04] [-2.71496057e-04 -2.71496057e-04 3.36294637e-04] [ 2.71496058e-04 2.71496059e-04 3.36294639e-04] [-3.59301954e-04 3.59301953e-04 -6.04489873e-04] [ 3.59301952e-04 -3.59301952e-04 -6.04489872e-04] [-5.29624955e-13 -1.61087810e-12 3.66498498e-13] [-9.66838167e-13 4.37594610e-13 4.71256015e-13] [ 7.58071826e-05 1.39730337e-04 1.23887185e-04] [-7.58071815e-05 -1.39730334e-04 1.23887191e-04] [ 7.58071844e-05 1.39730338e-04 -1.23887186e-04] [-7.58071804e-05 -1.39730335e-04 -1.23887190e-04] [ 1.39730316e-04 7.58071837e-05 1.23887209e-04] [ 1.39730317e-04 7.58071837e-05 -1.23887206e-04] [-1.39730314e-04 -7.58071814e-05 1.23887212e-04] [-1.39730312e-04 -7.58071806e-05 -1.23887213e-04] [-6.96396505e-04 -6.96396530e-04 9.10216347e-13] [-3.64161570e-04 3.64161557e-04 1.97952765e-13] [ 3.64161578e-04 -3.64161548e-04 -5.40123501e-14] [ 6.96396507e-04 6.96396525e-04 1.06870068e-12] [ 7.58071785e-05 1.39730314e-04 1.23887210e-04] [-7.58071857e-05 -1.39730316e-04 1.23887208e-04] [ 7.58071810e-05 1.39730313e-04 -1.23887211e-04] [-7.58071846e-05 -1.39730314e-04 -1.23887209e-04] [ 1.39730333e-04 7.58071804e-05 1.23887191e-04] [ 1.39730334e-04 7.58071810e-05 -1.23887191e-04] [-1.39730339e-04 -7.58071845e-05 1.23887185e-04] [-1.39730337e-04 -7.58071846e-05 -1.23887188e-04] [-6.96396527e-04 -6.96396506e-04 -2.93277355e-13] [-3.64161556e-04 3.64161570e-04 -3.60509832e-13] [ 3.64161549e-04 -3.64161577e-04 5.71639276e-13] [ 6.96396529e-04 6.96396506e-04 4.25982533e-13]] Final stress: [-4.05510757e-05 -4.05510757e-05 -3.11013381e-05 -5.16958436e-16 -7.63069224e-17 -4.17738059e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.01659604e-05 1.57651669e-14 6.43651799e-14] [-5.01659603e-05 4.85167462e-14 2.62012634e-14] [ 9.43689571e-15 3.66017923e-05 5.22756307e-04] [-5.83005866e-14 -3.66017924e-05 -5.22756307e-04] [-4.22439861e-14 5.22756307e-04 3.66017923e-05] [ 2.24265051e-14 -5.22756307e-04 -3.66017923e-05] [ 5.01659603e-05 -9.79460130e-14 7.45932996e-14] [-5.01659604e-05 3.17242299e-14 6.43858204e-14] [-8.31914045e-14 3.66017922e-05 5.22756307e-04] [-9.59093373e-15 -3.66017923e-05 -5.22756307e-04] [ 1.00198553e-13 5.22756307e-04 3.66017925e-05] [-3.09555983e-15 -5.22756307e-04 -3.66017925e-05] [-5.84032142e-04 1.62052955e-04 1.62052955e-04] [-5.85974483e-04 1.52620262e-04 -1.52620262e-04] [-5.85974483e-04 -1.52620262e-04 1.52620262e-04] [-5.84032142e-04 -1.62052955e-04 -1.62052955e-04] [ 5.85974483e-04 -1.52620262e-04 1.52620262e-04] [ 5.84032142e-04 -1.62052955e-04 -1.62052955e-04] [ 5.85974483e-04 1.52620262e-04 -1.52620262e-04] [ 5.84032142e-04 1.62052955e-04 1.62052955e-04] [-5.84032141e-04 1.62052955e-04 1.62052955e-04] [-5.85974483e-04 1.52620262e-04 -1.52620262e-04] [-5.85974483e-04 -1.52620262e-04 1.52620262e-04] [-5.84032142e-04 -1.62052955e-04 -1.62052955e-04] [ 5.85974483e-04 -1.52620262e-04 1.52620262e-04] [ 5.84032142e-04 -1.62052955e-04 -1.62052955e-04] [ 5.85974483e-04 1.52620262e-04 -1.52620262e-04] [ 5.84032142e-04 1.62052955e-04 1.62052955e-04] [-4.37705427e-14 1.25385813e-14 -1.15879528e-15] [ 1.51678060e-14 -4.04671336e-14 1.21208380e-13] [ 2.08222328e-13 -3.44874186e-04 -3.44874183e-04] [ 1.50157664e-13 -3.07165481e-04 3.07165483e-04] [ 7.12208070e-14 3.07165481e-04 -3.07165483e-04] [ 1.35835787e-13 3.44874186e-04 3.44874184e-04] [-4.77226527e-05 -5.00947349e-05 4.52541289e-06] [-4.77226525e-05 5.00947347e-05 -4.52541284e-06] [ 4.77226524e-05 -5.00947349e-05 4.52541263e-06] [ 4.77226523e-05 5.00947347e-05 -4.52541267e-06] [-4.77226553e-05 4.52541543e-06 -5.00947348e-05] [ 4.77226559e-05 4.52541627e-06 -5.00947347e-05] [-4.77226553e-05 -4.52541548e-06 5.00947348e-05] [ 4.77226560e-05 -4.52541637e-06 5.00947350e-05] [-1.80990988e-13 -3.44874183e-04 -3.44874187e-04] [-1.46789019e-13 -3.07165484e-04 3.07165481e-04] [-1.25316176e-13 3.07165484e-04 -3.07165481e-04] [-1.81550445e-14 3.44874183e-04 3.44874187e-04] [-4.77226553e-05 -5.00947348e-05 4.52541571e-06] [-4.77226557e-05 5.00947350e-05 -4.52541612e-06] [ 4.77226546e-05 -5.00947346e-05 4.52541498e-06] [ 4.77226550e-05 5.00947349e-05 -4.52541538e-06] [-4.77226529e-05 4.52541331e-06 -5.00947348e-05] [ 4.77226531e-05 4.52541349e-06 -5.00947350e-05] [-4.77226525e-05 -4.52541301e-06 5.00947347e-05] [ 4.77226526e-05 -4.52541306e-06 5.00947346e-05]] Final stress: [-4.59340516e-06 -4.85297027e-06 -4.85297027e-06 8.37312839e-05 -1.04806723e-17 1.99132773e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.03544069e-05 -2.55351296e-15 -4.13419299e-14] [-5.03544070e-05 -7.25808302e-15 -1.58761893e-14] [ 3.57075480e-14 3.67197428e-05 -5.22218671e-04] [ 5.30964162e-14 -3.67197429e-05 5.22218671e-04] [ 4.04537515e-14 -5.22218671e-04 3.67197429e-05] [ 1.08385523e-14 5.22218671e-04 -3.67197427e-05] [ 5.03544069e-05 -5.74132219e-14 3.66693888e-14] [-5.03544068e-05 -3.01872039e-14 3.53365069e-14] [ 5.53307085e-14 3.67197429e-05 -5.22218671e-04] [ 3.31842979e-14 -3.67197427e-05 5.22218671e-04] [-2.22050774e-14 -5.22218671e-04 3.67197428e-05] [-2.30954714e-14 5.22218671e-04 -3.67197428e-05] [ 6.08793923e-04 -1.30544857e-04 -1.30544857e-04] [ 6.05993139e-04 -1.40791290e-04 1.40791290e-04] [ 6.05993139e-04 1.40791290e-04 -1.40791290e-04] [ 6.08793923e-04 1.30544857e-04 1.30544857e-04] [-6.05993139e-04 1.40791290e-04 -1.40791290e-04] [-6.08793923e-04 1.30544857e-04 1.30544857e-04] [-6.05993139e-04 -1.40791290e-04 1.40791290e-04] [-6.08793923e-04 -1.30544857e-04 -1.30544857e-04] [ 6.08793923e-04 -1.30544857e-04 -1.30544857e-04] [ 6.05993139e-04 -1.40791290e-04 1.40791290e-04] [ 6.05993139e-04 1.40791290e-04 -1.40791290e-04] [ 6.08793923e-04 1.30544857e-04 1.30544857e-04] [-6.05993139e-04 1.40791290e-04 -1.40791290e-04] [-6.08793923e-04 1.30544857e-04 1.30544857e-04] [-6.05993139e-04 -1.40791290e-04 1.40791290e-04] [-6.08793923e-04 -1.30544857e-04 -1.30544857e-04] [ 8.94839758e-14 6.26027008e-14 -1.25593980e-13] [-5.16906278e-14 -7.36581537e-14 1.00571628e-13] [ 2.15383267e-14 2.94445365e-04 2.94445363e-04] [-5.58442181e-14 3.31904482e-04 -3.31904485e-04] [-7.21089854e-14 -3.31904483e-04 3.31904484e-04] [-4.94049246e-14 -2.94445365e-04 -2.94445363e-04] [-4.72221929e-05 9.34876485e-05 4.36775221e-06] [-4.72221927e-05 -9.34876486e-05 -4.36775208e-06] [ 4.72221929e-05 9.34876484e-05 4.36775219e-06] [ 4.72221926e-05 -9.34876485e-05 -4.36775198e-06] [-4.72221907e-05 4.36775009e-06 9.34876485e-05] [ 4.72221907e-05 4.36775000e-06 9.34876484e-05] [-4.72221906e-05 -4.36775002e-06 -9.34876484e-05] [ 4.72221906e-05 -4.36774991e-06 -9.34876484e-05] [ 6.65911316e-14 2.94445363e-04 2.94445365e-04] [ 8.38311557e-14 3.31904485e-04 -3.31904483e-04] [ 4.30107418e-14 -3.31904485e-04 3.31904482e-04] [-4.64394631e-15 -2.94445363e-04 -2.94445365e-04] [-4.72221907e-05 9.34876485e-05 4.36775007e-06] [-4.72221906e-05 -9.34876484e-05 -4.36774989e-06] [ 4.72221906e-05 9.34876485e-05 4.36775007e-06] [ 4.72221907e-05 -9.34876484e-05 -4.36774989e-06] [-4.72221928e-05 4.36775203e-06 9.34876484e-05] [ 4.72221929e-05 4.36775213e-06 9.34876485e-05] [-4.72221924e-05 -4.36775169e-06 -9.34876485e-05] [ 4.72221925e-05 -4.36775175e-06 -9.34876486e-05]] Final stress: [-4.59633508e-06 -4.85406822e-06 -4.85406822e-06 -8.37200105e-05 2.09613445e-17 -9.64221848e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.26715879e-05 5.43613791e-06 4.58892435e-04] [-3.26715880e-05 -5.43613787e-06 -4.58892436e-04] [ 5.43613788e-06 3.26715879e-05 4.58892436e-04] [-5.43613780e-06 -3.26715882e-05 -4.58892436e-04] [ 4.58884191e-04 4.58884191e-04 2.90895334e-05] [-4.58884191e-04 -4.58884191e-04 -2.90895335e-05] [ 3.26715877e-05 5.43613784e-06 4.58892435e-04] [-3.26715879e-05 -5.43613796e-06 -4.58892435e-04] [ 5.43613786e-06 3.26715883e-05 4.58892435e-04] [-5.43613791e-06 -3.26715879e-05 -4.58892435e-04] [ 4.58884191e-04 4.58884191e-04 2.90895331e-05] [-4.58884191e-04 -4.58884191e-04 -2.90895334e-05] [-5.40264405e-04 -5.40264405e-04 -1.37885072e-04] [-5.56529773e-04 -5.56529773e-04 1.50587290e-04] [-4.08263788e-04 -4.00068588e-04 -8.50141860e-06] [-4.00068588e-04 -4.08263788e-04 -8.50141840e-06] [ 5.56529773e-04 5.56529773e-04 -1.50587290e-04] [ 5.40264405e-04 5.40264405e-04 1.37885072e-04] [ 4.08263788e-04 4.00068588e-04 8.50141832e-06] [ 4.00068588e-04 4.08263788e-04 8.50141849e-06] [-5.40264405e-04 -5.40264405e-04 -1.37885072e-04] [-5.56529773e-04 -5.56529773e-04 1.50587290e-04] [-4.08263788e-04 -4.00068588e-04 -8.50141843e-06] [-4.00068588e-04 -4.08263788e-04 -8.50141838e-06] [ 5.56529773e-04 5.56529773e-04 -1.50587290e-04] [ 5.40264405e-04 5.40264405e-04 1.37885072e-04] [ 4.08263788e-04 4.00068588e-04 8.50141850e-06] [ 4.00068588e-04 4.08263788e-04 8.50141853e-06] [ 7.88397125e-14 8.63684124e-14 5.30547828e-14] [-7.60288469e-14 -1.13848898e-13 -3.49895534e-14] [-2.11350133e-04 -1.91164991e-04 -1.74106991e-04] [-2.13635281e-04 -1.25768940e-04 1.42790737e-04] [ 2.13635281e-04 1.25768941e-04 -1.42790736e-04] [ 2.11350133e-04 1.91164990e-04 1.74106991e-04] [-1.91164991e-04 -2.11350133e-04 -1.74106990e-04] [ 1.25768940e-04 2.13635281e-04 -1.42790737e-04] [-1.25768940e-04 -2.13635281e-04 1.42790737e-04] [ 1.91164991e-04 2.11350133e-04 1.74106991e-04] [-2.17570192e-05 -2.17570195e-05 -4.24957774e-04] [ 2.80986819e-05 -2.80986819e-05 7.80486786e-14] [-2.80986814e-05 2.80986823e-05 1.97786232e-13] [ 2.17570189e-05 2.17570196e-05 4.24957774e-04] [-2.11350133e-04 -1.91164991e-04 -1.74106990e-04] [-2.13635281e-04 -1.25768940e-04 1.42790737e-04] [ 2.13635281e-04 1.25768940e-04 -1.42790737e-04] [ 2.11350133e-04 1.91164991e-04 1.74106990e-04] [-1.91164991e-04 -2.11350133e-04 -1.74106991e-04] [ 1.25768940e-04 2.13635281e-04 -1.42790736e-04] [-1.25768941e-04 -2.13635281e-04 1.42790736e-04] [ 1.91164991e-04 2.11350133e-04 1.74106991e-04] [-2.17570197e-05 -2.17570189e-05 -4.24957774e-04] [ 2.80986822e-05 -2.80986815e-05 -7.38339155e-14] [-2.80986823e-05 2.80986814e-05 -6.07853747e-14] [ 2.17570197e-05 2.17570189e-05 4.24957774e-04]] Final stress: [-4.69969625e-06 -4.69969625e-06 -4.78794428e-06 4.15778818e-05 4.15778818e-05 -5.97088087e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.88217329e-05 -5.11099967e-06 -3.38201618e-04] [-5.88217329e-05 5.11099974e-06 3.38201618e-04] [-5.11099975e-06 5.88217327e-05 3.38201618e-04] [ 5.11099965e-06 -5.88217330e-05 -3.38201618e-04] [-3.38188594e-04 3.38188594e-04 5.41340545e-05] [ 3.38188594e-04 -3.38188594e-04 -5.41340548e-05] [ 5.88217328e-05 -5.11099967e-06 -3.38201618e-04] [-5.88217329e-05 5.11099965e-06 3.38201618e-04] [-5.11099962e-06 5.88217329e-05 3.38201618e-04] [ 5.11099979e-06 -5.88217326e-05 -3.38201618e-04] [-3.38188594e-04 3.38188594e-04 5.41340546e-05] [ 3.38188594e-04 -3.38188594e-04 -5.41340544e-05] [-5.13817925e-04 5.24443262e-04 9.47581118e-06] [-5.24443261e-04 5.13817925e-04 9.47581116e-06] [-3.05510467e-04 3.05510467e-04 2.15186600e-04] [-2.96288200e-04 2.96288199e-04 -2.21268560e-04] [ 5.24443262e-04 -5.13817925e-04 -9.47581132e-06] [ 5.13817925e-04 -5.24443261e-04 -9.47581114e-06] [ 3.05510467e-04 -3.05510467e-04 -2.15186600e-04] [ 2.96288199e-04 -2.96288199e-04 2.21268561e-04] [-5.13817925e-04 5.24443261e-04 9.47581097e-06] [-5.24443262e-04 5.13817925e-04 9.47581119e-06] [-3.05510467e-04 3.05510467e-04 2.15186600e-04] [-2.96288199e-04 2.96288199e-04 -2.21268561e-04] [ 5.24443261e-04 -5.13817925e-04 -9.47581116e-06] [ 5.13817925e-04 -5.24443262e-04 -9.47581133e-06] [ 3.05510467e-04 -3.05510467e-04 -2.15186599e-04] [ 2.96288200e-04 -2.96288199e-04 2.21268560e-04] [-1.26378075e-13 3.08801595e-13 2.79797019e-13] [ 6.08718950e-14 -1.85661999e-13 -1.95787281e-13] [ 4.53840826e-05 -2.54376029e-04 -2.33495033e-04] [ 4.63536730e-05 -1.77049542e-04 1.97882961e-04] [-4.63536729e-05 1.77049541e-04 -1.97882962e-04] [-4.53840826e-05 2.54376029e-04 2.33495033e-04] [ 1.77049544e-04 -4.63536732e-05 1.97882960e-04] [-2.54376027e-04 4.53840822e-05 2.33495035e-04] [ 2.54376027e-04 -4.53840827e-05 -2.33495035e-04] [-1.77049544e-04 4.63536727e-05 -1.97882960e-04] [-3.26427760e-05 -3.26427745e-05 -1.94233518e-13] [ 2.56848843e-05 -2.56848829e-05 -9.17010096e-05] [-2.56848847e-05 2.56848826e-05 9.17010093e-05] [ 3.26427764e-05 3.26427743e-05 -1.09134923e-13] [ 4.53840825e-05 -2.54376027e-04 -2.33495035e-04] [ 4.63536728e-05 -1.77049543e-04 1.97882960e-04] [-4.63536728e-05 1.77049544e-04 -1.97882959e-04] [-4.53840824e-05 2.54376027e-04 2.33495035e-04] [ 1.77049542e-04 -4.63536727e-05 1.97882962e-04] [-2.54376029e-04 4.53840829e-05 2.33495033e-04] [ 2.54376029e-04 -4.53840823e-05 -2.33495033e-04] [-1.77049542e-04 4.63536731e-05 -1.97882962e-04] [-3.26427743e-05 -3.26427764e-05 2.23657989e-13] [ 2.56848826e-05 -2.56848848e-05 -9.17010093e-05] [-2.56848823e-05 2.56848850e-05 9.17010097e-05] [ 3.26427739e-05 3.26427765e-05 2.11618375e-14]] Final stress: [-4.78932185e-06 -4.78932185e-06 -4.89006467e-06 4.17599209e-05 -4.17599209e-05 5.21811079e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.43979708e-03 3.35819654e-04 3.14189547e-03] [-2.43979707e-03 -3.35819652e-04 -3.14189547e-03] [ 3.35819653e-04 2.43979707e-03 -3.14189547e-03] [-3.35819654e-04 -2.43979709e-03 3.14189547e-03] [ 3.13180092e-03 -3.13180092e-03 2.59851822e-03] [-3.13180092e-03 3.13180092e-03 -2.59851823e-03] [ 2.43979708e-03 3.35819652e-04 3.14189547e-03] [-2.43979707e-03 -3.35819654e-04 -3.14189547e-03] [ 3.35819656e-04 2.43979708e-03 -3.14189547e-03] [-3.35819653e-04 -2.43979707e-03 3.14189547e-03] [ 3.13180092e-03 -3.13180092e-03 2.59851823e-03] [-3.13180092e-03 3.13180092e-03 -2.59851822e-03] [ 1.93821121e-02 -1.82130806e-02 -2.37508633e-04] [ 1.82130806e-02 -1.93821121e-02 -2.37508637e-04] [-2.48793724e-03 2.48793724e-03 -2.19329654e-02] [-2.65527461e-03 2.65527461e-03 2.08270244e-02] [-1.82130806e-02 1.93821121e-02 2.37508635e-04] [-1.93821121e-02 1.82130806e-02 2.37508639e-04] [ 2.48793724e-03 -2.48793723e-03 2.19329654e-02] [ 2.65527460e-03 -2.65527460e-03 -2.08270244e-02] [ 1.93821121e-02 -1.82130806e-02 -2.37508640e-04] [ 1.82130806e-02 -1.93821121e-02 -2.37508636e-04] [-2.48793724e-03 2.48793724e-03 -2.19329654e-02] [-2.65527460e-03 2.65527460e-03 2.08270244e-02] [-1.82130806e-02 1.93821121e-02 2.37508639e-04] [-1.93821121e-02 1.82130806e-02 2.37508632e-04] [ 2.48793724e-03 -2.48793724e-03 2.19329654e-02] [ 2.65527461e-03 -2.65527461e-03 -2.08270244e-02] [ 9.95106775e-13 9.08861875e-12 3.77977510e-12] [ 1.29162853e-13 -9.61743094e-12 -1.50715140e-12] [ 5.66230442e-03 6.58109434e-03 7.68634464e-03] [ 4.58383195e-03 1.03839537e-02 -9.27128494e-03] [-4.58383196e-03 -1.03839538e-02 9.27128490e-03] [-5.66230442e-03 -6.58109436e-03 -7.68634461e-03] [-1.03839538e-02 -4.58383197e-03 -9.27128487e-03] [ 6.58109430e-03 5.66230441e-03 -7.68634468e-03] [-6.58109432e-03 -5.66230443e-03 7.68634466e-03] [ 1.03839538e-02 4.58383194e-03 9.27128488e-03] [-9.58400163e-04 -9.58400253e-04 -4.38837855e-12] [ 1.10569568e-03 -1.10569574e-03 -1.02396587e-02] [-1.10569569e-03 1.10569574e-03 1.02396587e-02] [ 9.58400199e-04 9.58400225e-04 -6.12121465e-12] [ 5.66230442e-03 6.58109431e-03 7.68634466e-03] [ 4.58383195e-03 1.03839538e-02 -9.27128485e-03] [-4.58383196e-03 -1.03839538e-02 9.27128489e-03] [-5.66230442e-03 -6.58109430e-03 -7.68634468e-03] [-1.03839537e-02 -4.58383194e-03 -9.27128492e-03] [ 6.58109436e-03 5.66230444e-03 -7.68634462e-03] [-6.58109436e-03 -5.66230441e-03 7.68634462e-03] [ 1.03839537e-02 4.58383197e-03 9.27128493e-03] [-9.58400239e-04 -9.58400189e-04 1.58338888e-12] [ 1.10569575e-03 -1.10569567e-03 -1.02396587e-02] [-1.10569571e-03 1.10569571e-03 1.02396587e-02] [ 9.58400214e-04 9.58400194e-04 3.54803274e-12]] Final stress: [-2.37462543e-05 -2.37462543e-05 -3.40066080e-05 -3.75151334e-05 3.75151334e-05 1.79209713e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.79120486e-05 5.18023432e-06 -3.49943658e-04] [-5.79120487e-05 -5.18023423e-06 3.49943658e-04] [ 5.18023439e-06 5.79120486e-05 -3.49943658e-04] [-5.18023437e-06 -5.79120485e-05 3.49943658e-04] [-3.49931033e-04 -3.49931033e-04 5.32540752e-05] [ 3.49931033e-04 3.49931033e-04 -5.32540750e-05] [ 5.79120485e-05 5.18023430e-06 -3.49943658e-04] [-5.79120486e-05 -5.18023425e-06 3.49943658e-04] [ 5.18023427e-06 5.79120484e-05 -3.49943658e-04] [-5.18023435e-06 -5.79120486e-05 3.49943658e-04] [-3.49931033e-04 -3.49931033e-04 5.32540750e-05] [ 3.49931033e-04 3.49931033e-04 -5.32540751e-05] [ 3.26352071e-04 3.26352071e-04 -1.89075477e-04] [ 3.16690715e-04 3.16690715e-04 1.95471023e-04] [ 5.08955884e-04 5.18641266e-04 -8.99977971e-06] [ 5.18641266e-04 5.08955884e-04 -8.99977985e-06] [-3.16690715e-04 -3.16690715e-04 -1.95471023e-04] [-3.26352071e-04 -3.26352071e-04 1.89075477e-04] [-5.08955884e-04 -5.18641266e-04 8.99977977e-06] [-5.18641266e-04 -5.08955884e-04 8.99977981e-06] [ 3.26352071e-04 3.26352070e-04 -1.89075477e-04] [ 3.16690715e-04 3.16690715e-04 1.95471023e-04] [ 5.08955884e-04 5.18641266e-04 -8.99977977e-06] [ 5.18641266e-04 5.08955884e-04 -8.99977981e-06] [-3.16690716e-04 -3.16690716e-04 -1.95471023e-04] [-3.26352071e-04 -3.26352071e-04 1.89075477e-04] [-5.08955884e-04 -5.18641266e-04 8.99977961e-06] [-5.18641266e-04 -5.08955884e-04 8.99977985e-06] [ 2.73739365e-14 1.51822999e-14 2.40502063e-14] [ 1.14613077e-14 -3.58071887e-14 8.67671822e-16] [ 7.07160345e-05 1.73351779e-04 1.93227786e-04] [ 6.94931690e-05 2.49594620e-04 -2.29674035e-04] [-6.94931690e-05 -2.49594619e-04 2.29674036e-04] [-7.07160346e-05 -1.73351779e-04 -1.93227786e-04] [ 1.73351779e-04 7.07160348e-05 1.93227786e-04] [-2.49594620e-04 -6.94931687e-05 2.29674035e-04] [ 2.49594620e-04 6.94931691e-05 -2.29674035e-04] [-1.73351779e-04 -7.07160344e-05 -1.93227786e-04] [-2.56402288e-05 -2.56402284e-05 1.40174737e-04] [ 3.24861838e-05 -3.24861830e-05 1.06803455e-13] [-3.24861831e-05 3.24861836e-05 1.39332990e-13] [ 2.56402288e-05 2.56402287e-05 -1.40174737e-04] [ 7.07160345e-05 1.73351779e-04 1.93227786e-04] [ 6.94931690e-05 2.49594619e-04 -2.29674036e-04] [-6.94931689e-05 -2.49594620e-04 2.29674035e-04] [-7.07160345e-05 -1.73351779e-04 -1.93227786e-04] [ 1.73351779e-04 7.07160342e-05 1.93227786e-04] [-2.49594620e-04 -6.94931692e-05 2.29674035e-04] [ 2.49594619e-04 6.94931687e-05 -2.29674035e-04] [-1.73351779e-04 -7.07160347e-05 -1.93227786e-04] [-2.56402286e-05 -2.56402288e-05 1.40174737e-04] [ 3.24861836e-05 -3.24861832e-05 -2.09536246e-13] [-3.24861835e-05 3.24861832e-05 -1.44044576e-13] [ 2.56402292e-05 2.56402284e-05 -1.40174737e-04]] Final stress: [-4.78635313e-06 -4.78635313e-06 -4.88485009e-06 -4.17254706e-05 -4.17254706e-05 -5.31288801e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.71110489e-05 5.09131798e-04 5.30215235e-06] [-1.71110485e-05 -5.09131798e-04 -5.30215239e-06] [ 5.09126609e-04 1.42156076e-05 5.09126609e-04] [-5.09126609e-04 -1.42156079e-05 -5.09126609e-04] [ 5.30215238e-06 5.09131798e-04 1.71110491e-05] [-5.30215229e-06 -5.09131798e-04 -1.71110487e-05] [ 1.71110486e-05 5.09131798e-04 5.30215244e-06] [-1.71110489e-05 -5.09131798e-04 -5.30215247e-06] [ 5.09126609e-04 1.42156077e-05 5.09126609e-04] [-5.09126609e-04 -1.42156075e-05 -5.09126609e-04] [ 5.30215248e-06 5.09131798e-04 1.71110483e-05] [-5.30215237e-06 -5.09131798e-04 -1.71110489e-05] [-5.62365397e-04 -2.20081905e-04 -5.62365397e-04] [-3.48454278e-04 -9.11965415e-06 -3.39299045e-04] [-5.78704057e-04 2.33247042e-04 -5.78704057e-04] [-3.39299045e-04 -9.11965419e-06 -3.48454278e-04] [ 3.48454278e-04 9.11965436e-06 3.39299045e-04] [ 5.62365397e-04 2.20081905e-04 5.62365397e-04] [ 5.78704057e-04 -2.33247042e-04 5.78704057e-04] [ 3.39299045e-04 9.11965412e-06 3.48454278e-04] [-5.62365397e-04 -2.20081905e-04 -5.62365397e-04] [-3.48454278e-04 -9.11965435e-06 -3.39299045e-04] [-5.78704057e-04 2.33247042e-04 -5.78704057e-04] [-3.39299045e-04 -9.11965413e-06 -3.48454278e-04] [ 3.48454278e-04 9.11965415e-06 3.39299045e-04] [ 5.62365397e-04 2.20081905e-04 5.62365397e-04] [ 5.78704057e-04 -2.33247042e-04 5.78704057e-04] [ 3.39299045e-04 9.11965426e-06 3.48454278e-04] [-4.43325932e-14 1.69593506e-13 -2.61804467e-13] [-1.02014833e-14 -2.09506420e-13 1.77959003e-13] [-1.99112867e-04 -1.59367466e-04 -1.78114531e-04] [ 2.01021443e-04 -1.34771805e-04 1.16066495e-04] [-2.01021442e-04 1.34771807e-04 -1.16066494e-04] [ 1.99112867e-04 1.59367464e-04 1.78114533e-04] [-1.91886677e-05 -4.00101507e-04 -1.91886689e-05] [-2.57405096e-05 -2.49356091e-13 2.57405121e-05] [ 2.57405108e-05 -2.78610468e-13 -2.57405107e-05] [ 1.91886679e-05 4.00101507e-04 1.91886689e-05] [-1.78114532e-04 -1.59367464e-04 -1.99112867e-04] [-1.16066493e-04 1.34771807e-04 -2.01021442e-04] [ 1.16066493e-04 -1.34771807e-04 2.01021443e-04] [ 1.78114533e-04 1.59367463e-04 1.99112868e-04] [-1.99112868e-04 -1.59367463e-04 -1.78114533e-04] [ 2.01021442e-04 -1.34771807e-04 1.16066493e-04] [-2.01021443e-04 1.34771807e-04 -1.16066494e-04] [ 1.99112867e-04 1.59367464e-04 1.78114532e-04] [-1.91886685e-05 -4.00101507e-04 -1.91886680e-05] [-2.57405124e-05 2.87730397e-13 2.57405089e-05] [ 2.57405102e-05 2.63565196e-13 -2.57405112e-05] [ 1.91886692e-05 4.00101507e-04 1.91886677e-05] [-1.78114532e-04 -1.59367464e-04 -1.99112868e-04] [-1.16066495e-04 1.34771806e-04 -2.01021443e-04] [ 1.16066495e-04 -1.34771806e-04 2.01021442e-04] [ 1.78114531e-04 1.59367465e-04 1.99112867e-04]] Final stress: [-4.64168238e-06 -4.73148022e-06 -4.64168238e-06 4.15267081e-05 -5.99142600e-08 4.15267081e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.35908185e-05 -3.63155045e-04 -5.15978231e-06] [-5.35908187e-05 3.63155045e-04 5.15978218e-06] [-3.63143974e-04 4.91462538e-05 3.63143974e-04] [ 3.63143974e-04 -4.91462542e-05 -3.63143974e-04] [-5.15978230e-06 3.63155045e-04 5.35908186e-05] [ 5.15978232e-06 -3.63155044e-04 -5.35908184e-05] [ 5.35908188e-05 -3.63155045e-04 -5.15978226e-06] [-5.35908186e-05 3.63155045e-04 5.15978218e-06] [-3.63143974e-04 4.91462543e-05 3.63143974e-04] [ 3.63143974e-04 -4.91462538e-05 -3.63143974e-04] [-5.15978228e-06 3.63155045e-04 5.35908187e-05] [ 5.15978215e-06 -3.63155045e-04 -5.35908187e-05] [-4.92237979e-04 8.83285879e-06 5.01668781e-04] [-3.11122498e-04 1.87356177e-04 3.11122499e-04] [-5.01668781e-04 8.83285883e-06 4.92237979e-04] [-3.02675341e-04 -1.92743729e-04 3.02675341e-04] [ 3.11122499e-04 -1.87356177e-04 -3.11122499e-04] [ 4.92237980e-04 -8.83285859e-06 -5.01668781e-04] [ 5.01668781e-04 -8.83285871e-06 -4.92237980e-04] [ 3.02675341e-04 1.92743728e-04 -3.02675341e-04] [-4.92237980e-04 8.83285870e-06 5.01668781e-04] [-3.11122499e-04 1.87356177e-04 3.11122499e-04] [-5.01668781e-04 8.83285871e-06 4.92237979e-04] [-3.02675341e-04 -1.92743728e-04 3.02675341e-04] [ 3.11122499e-04 -1.87356177e-04 -3.11122499e-04] [ 4.92237979e-04 -8.83285885e-06 -5.01668781e-04] [ 5.01668781e-04 -8.83285878e-06 -4.92237980e-04] [ 3.02675341e-04 1.92743729e-04 -3.02675341e-04] [ 1.84623150e-13 2.55219457e-13 -1.00995601e-13] [-2.54188254e-13 -3.16932473e-13 1.97473559e-13] [ 3.44165204e-05 -2.36978894e-04 -2.57050108e-04] [-3.54604370e-05 -2.01079574e-04 1.81054039e-04] [ 3.54604367e-05 2.01079574e-04 -1.81054039e-04] [-3.44165207e-05 2.36978893e-04 2.57050109e-04] [-3.23785736e-05 -3.29680727e-13 -3.23785715e-05] [-2.53806271e-05 6.98410516e-05 2.53806260e-05] [ 2.53806276e-05 -6.98410523e-05 -2.53806257e-05] [ 3.23785731e-05 -3.27349259e-13 3.23785721e-05] [ 1.81054040e-04 2.01079573e-04 -3.54604367e-05] [ 2.57050108e-04 -2.36978895e-04 -3.44165202e-05] [-2.57050108e-04 2.36978894e-04 3.44165207e-05] [-1.81054039e-04 -2.01079573e-04 3.54604372e-05] [ 3.44165206e-05 -2.36978894e-04 -2.57050108e-04] [-3.54604368e-05 -2.01079573e-04 1.81054040e-04] [ 3.54604371e-05 2.01079572e-04 -1.81054040e-04] [-3.44165203e-05 2.36978895e-04 2.57050107e-04] [-3.23785719e-05 4.57598254e-13 -3.23785733e-05] [-2.53806264e-05 6.98410523e-05 2.53806269e-05] [ 2.53806260e-05 -6.98410515e-05 -2.53806268e-05] [ 3.23785727e-05 2.60305232e-13 3.23785724e-05] [ 1.81054038e-04 2.01079574e-04 -3.54604372e-05] [ 2.57050109e-04 -2.36978893e-04 -3.44165208e-05] [-2.57050109e-04 2.36978893e-04 3.44165202e-05] [-1.81054039e-04 -2.01079574e-04 3.54604365e-05]] Final stress: [-4.76960259e-06 -4.86809014e-06 -4.76960259e-06 4.17364326e-05 5.26267836e-08 -4.17364326e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.04028189e-05 4.22421557e-04 -5.31225047e-06] [-4.04028187e-05 -4.22421557e-04 5.31225059e-06] [ 4.22412264e-04 3.65039479e-05 -4.22412264e-04] [-4.22412264e-04 -3.65039479e-05 4.22412264e-04] [-5.31225056e-06 -4.22421557e-04 4.04028186e-05] [ 5.31225056e-06 4.22421557e-04 -4.04028189e-05] [ 4.04028185e-05 4.22421557e-04 -5.31225066e-06] [-4.04028187e-05 -4.22421557e-04 5.31225060e-06] [ 4.22412264e-04 3.65039478e-05 -4.22412264e-04] [-4.22412264e-04 -3.65039479e-05 4.22412264e-04] [-5.31225059e-06 -4.22421557e-04 4.04028189e-05] [ 5.31225072e-06 4.22421557e-04 -4.04028186e-05] [ 4.43718497e-04 8.74616976e-06 -4.34841260e-04] [ 4.46227803e-04 8.62411673e-06 -4.46227803e-04] [ 4.34841260e-04 8.74616985e-06 -4.43718498e-04] [ 4.59402567e-04 -1.84565741e-05 -4.59402567e-04] [-4.46227803e-04 -8.62411705e-06 4.46227803e-04] [-4.43718497e-04 -8.74616984e-06 4.34841260e-04] [-4.34841260e-04 -8.74616977e-06 4.43718497e-04] [-4.59402567e-04 1.84565745e-05 4.59402567e-04] [ 4.43718497e-04 8.74616995e-06 -4.34841260e-04] [ 4.46227803e-04 8.62411706e-06 -4.46227804e-04] [ 4.34841260e-04 8.74616997e-06 -4.43718497e-04] [ 4.59402567e-04 -1.84565744e-05 -4.59402567e-04] [-4.46227803e-04 -8.62411661e-06 4.46227803e-04] [-4.43718497e-04 -8.74616982e-06 4.34841260e-04] [-4.34841260e-04 -8.74616986e-06 4.43718497e-04] [-4.59402567e-04 1.84565741e-05 4.59402567e-04] [-1.90653049e-13 -1.28556887e-13 1.69940451e-13] [ 9.93555129e-14 8.86704283e-14 -9.42276545e-14] [-1.42044515e-04 1.65540164e-04 1.47095844e-04] [ 1.40296646e-04 1.98201352e-04 -2.16686254e-04] [-1.40296645e-04 -1.98201353e-04 2.16686253e-04] [ 1.42044515e-04 -1.65540164e-04 -1.47095844e-04] [-2.96944496e-05 1.12243548e-13 -2.96944502e-05] [-2.30711465e-05 -2.82309719e-04 2.30711457e-05] [ 2.30711459e-05 2.82309719e-04 -2.30711462e-05] [ 2.96944507e-05 -1.10411680e-13 2.96944494e-05] [-2.16686252e-04 -1.98201354e-04 1.40296645e-04] [-1.47095845e-04 1.65540163e-04 1.42044515e-04] [ 1.47095846e-04 -1.65540162e-04 -1.42044515e-04] [ 2.16686252e-04 1.98201354e-04 -1.40296646e-04] [-1.42044515e-04 1.65540162e-04 1.47095845e-04] [ 1.40296645e-04 1.98201354e-04 -2.16686252e-04] [-1.40296646e-04 -1.98201353e-04 2.16686253e-04] [ 1.42044515e-04 -1.65540163e-04 -1.47095845e-04] [-2.96944498e-05 -2.40755630e-14 -2.96944502e-05] [-2.30711450e-05 -2.82309719e-04 2.30711472e-05] [ 2.30711453e-05 2.82309719e-04 -2.30711471e-05] [ 2.96944481e-05 7.56505861e-14 2.96944518e-05] [-2.16686253e-04 -1.98201353e-04 1.40296646e-04] [-1.47095845e-04 1.65540164e-04 1.42044516e-04] [ 1.47095844e-04 -1.65540164e-04 -1.42044515e-04] [ 2.16686253e-04 1.98201353e-04 -1.40296645e-04]] Final stress: [-4.72508790e-06 -4.81788670e-06 -4.72508789e-06 -4.16392906e-05 5.67830026e-08 4.16392906e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.78172180e-05 -3.87936688e-04 5.19997755e-06] [-4.78172178e-05 3.87936688e-04 -5.19997750e-06] [-3.87926655e-04 4.36191943e-05 -3.87926655e-04] [ 3.87926655e-04 -4.36191944e-05 3.87926655e-04] [ 5.19997749e-06 -3.87936688e-04 4.78172179e-05] [-5.19997760e-06 3.87936688e-04 -4.78172180e-05] [ 4.78172177e-05 -3.87936688e-04 5.19997749e-06] [-4.78172181e-05 3.87936688e-04 -5.19997759e-06] [-3.87926655e-04 4.36191944e-05 -3.87926655e-04] [ 3.87926655e-04 -4.36191943e-05 3.87926655e-04] [ 5.19997750e-06 -3.87936688e-04 4.78172180e-05] [-5.19997755e-06 3.87936688e-04 -4.78172179e-05] [ 3.56574224e-04 -1.17496686e-04 3.56574224e-04] [ 4.67932949e-04 -8.77171999e-06 4.77118556e-04] [ 3.46873528e-04 1.24097294e-04 3.46873528e-04] [ 4.77118555e-04 -8.77172002e-06 4.67932950e-04] [-4.67932950e-04 8.77171980e-06 -4.77118555e-04] [-3.56574224e-04 1.17496686e-04 -3.56574224e-04] [-3.46873528e-04 -1.24097294e-04 -3.46873528e-04] [-4.77118555e-04 8.77171996e-06 -4.67932949e-04] [ 3.56574224e-04 -1.17496686e-04 3.56574224e-04] [ 4.67932950e-04 -8.77171976e-06 4.77118555e-04] [ 3.46873528e-04 1.24097294e-04 3.46873528e-04] [ 4.77118556e-04 -8.77172004e-06 4.67932949e-04] [-4.67932949e-04 8.77172007e-06 -4.77118556e-04] [-3.56574224e-04 1.17496686e-04 -3.56574224e-04] [-3.46873528e-04 -1.24097294e-04 -3.46873528e-04] [-4.77118555e-04 8.77171998e-06 -4.67932950e-04] [-2.52388388e-13 -6.66480759e-14 -3.07531778e-14] [ 2.28816884e-13 1.15248604e-13 -1.07283006e-13] [ 6.36950243e-05 1.90699669e-04 1.71099708e-04] [-6.24688985e-05 2.25174383e-04 -2.44818747e-04] [ 6.24688994e-05 -2.25174383e-04 2.44818747e-04] [-6.36950234e-05 -1.90699669e-04 -1.71099707e-04] [-2.44740183e-05 1.26128994e-04 -2.44740287e-05] [-3.13883477e-05 2.73114864e-14 3.13883581e-05] [ 3.13883487e-05 -3.80251386e-14 -3.13883567e-05] [ 2.44740193e-05 -1.26128994e-04 2.44740274e-05] [ 1.71099699e-04 1.90699677e-04 6.36950240e-05] [ 2.44818756e-04 -2.25174374e-04 6.24688990e-05] [-2.44818755e-04 2.25174375e-04 -6.24688988e-05] [-1.71099699e-04 -1.90699678e-04 -6.36950239e-05] [ 6.36950235e-05 1.90699678e-04 1.71099699e-04] [-6.24688995e-05 2.25174374e-04 -2.44818756e-04] [ 6.24688987e-05 -2.25174374e-04 2.44818756e-04] [-6.36950245e-05 -1.90699678e-04 -1.71099698e-04] [-2.44740277e-05 1.26128994e-04 -2.44740191e-05] [-3.13883573e-05 -8.27071904e-14 3.13883480e-05] [ 3.13883565e-05 -5.99915354e-14 -3.13883491e-05] [ 2.44740275e-05 -1.26128994e-04 2.44740194e-05] [ 1.71099707e-04 1.90699669e-04 6.36950239e-05] [ 2.44818746e-04 -2.25174384e-04 6.24688989e-05] [-2.44818747e-04 2.25174382e-04 -6.24688991e-05] [-1.71099708e-04 -1.90699668e-04 -6.36950239e-05]] Final stress: [-4.74931177e-06 -4.84601742e-06 -4.74931177e-06 -4.17007626e-05 -5.38781477e-08 -4.17007626e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.66662543e-05 1.29340982e-14 5.22456518e-04] [-3.66662541e-05 5.56499291e-15 -5.22456518e-04] [ 6.16173779e-15 5.02702056e-05 5.45397061e-15] [-3.23768790e-14 -5.02702061e-05 -2.23848717e-14] [ 5.22456518e-04 1.48908663e-14 3.66662542e-05] [-5.22456518e-04 -2.03864703e-14 -3.66662541e-05] [ 3.66662540e-05 5.10529720e-14 5.22456518e-04] [-3.66662542e-05 1.29501309e-14 -5.22456518e-04] [-4.94482403e-14 5.02702063e-05 6.28883026e-16] [ 2.93723514e-14 -5.02702057e-05 -4.07077326e-14] [ 5.22456518e-04 8.08150403e-14 3.66662541e-05] [-5.22456518e-04 -4.34962938e-14 -3.66662542e-05] [ 1.49935302e-04 -5.96540359e-04 1.49935302e-04] [ 1.40037202e-04 -5.98972376e-04 -1.40037202e-04] [-1.49935302e-04 -5.96540358e-04 -1.49935302e-04] [-1.40037202e-04 -5.98972376e-04 1.40037202e-04] [-1.40037202e-04 5.98972376e-04 1.40037202e-04] [-1.49935302e-04 5.96540358e-04 -1.49935302e-04] [ 1.49935302e-04 5.96540359e-04 1.49935302e-04] [ 1.40037202e-04 5.98972376e-04 -1.40037202e-04] [ 1.49935302e-04 -5.96540359e-04 1.49935302e-04] [ 1.40037202e-04 -5.98972376e-04 -1.40037202e-04] [-1.49935302e-04 -5.96540359e-04 -1.49935302e-04] [-1.40037202e-04 -5.98972376e-04 1.40037202e-04] [-1.40037202e-04 5.98972376e-04 1.40037202e-04] [-1.49935302e-04 5.96540359e-04 -1.49935302e-04] [ 1.49935302e-04 5.96540358e-04 1.49935302e-04] [ 1.40037202e-04 5.98972376e-04 -1.40037202e-04] [-1.57693303e-13 2.45831133e-13 -5.20417043e-15] [ 2.16088656e-13 -1.97186136e-13 7.30626663e-14] [-7.48136164e-05 -4.74424580e-05 4.44235803e-06] [-7.48136163e-05 4.74424573e-05 4.44235704e-06] [ 7.48136166e-05 -4.74424577e-05 -4.44235766e-06] [ 7.48136166e-05 4.74424569e-05 -4.44235670e-06] [-3.37467528e-04 -4.60298466e-13 -3.37467527e-04] [ 2.99903553e-04 -4.66016115e-13 -2.99903555e-04] [-2.99903552e-04 -5.33018074e-13 2.99903555e-04] [ 3.37467529e-04 -4.90218977e-13 3.37467526e-04] [ 4.44235999e-06 -4.74424600e-05 -7.48136163e-05] [-4.44235968e-06 -4.74424596e-05 7.48136165e-05] [ 4.44235888e-06 4.74424592e-05 -7.48136164e-05] [-4.44235869e-06 4.74424588e-05 7.48136166e-05] [-7.48136166e-05 -4.74424590e-05 4.44235875e-06] [-7.48136166e-05 4.74424598e-05 4.44235981e-06] [ 7.48136163e-05 -4.74424591e-05 -4.44235886e-06] [ 7.48136163e-05 4.74424600e-05 -4.44235996e-06] [-3.37467526e-04 3.92592527e-13 -3.37467528e-04] [ 2.99903554e-04 4.24088371e-13 -2.99903553e-04] [-2.99903555e-04 4.82989285e-13 2.99903552e-04] [ 3.37467527e-04 4.54888548e-13 3.37467528e-04] [ 4.44235671e-06 -4.74424568e-05 -7.48136166e-05] [-4.44235708e-06 -4.74424573e-05 7.48136164e-05] [ 4.44235766e-06 4.74424576e-05 -7.48136166e-05] [-4.44235792e-06 4.74424580e-05 7.48136164e-05]] Final stress: [-4.85359217e-06 -4.59504418e-06 -4.85359217e-06 -7.08493445e-17 8.37248504e-05 -1.83411765e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.15836252e-05 -1.99146255e-14 -5.20154671e-04] [-3.15836255e-05 -4.58383331e-14 5.20154671e-04] [-3.95516953e-15 4.42888730e-05 -2.06501483e-14] [-2.75057754e-14 -4.42888730e-05 -4.98767694e-14] [-5.20154671e-04 1.05471187e-15 3.15836251e-05] [ 5.20154671e-04 3.44585471e-14 -3.15836256e-05] [ 3.15836256e-05 -2.52549058e-14 -5.20154671e-04] [-3.15836252e-05 -3.38830662e-14 5.20154671e-04] [-9.47066644e-15 4.42888729e-05 8.57031666e-15] [ 1.77095209e-14 -4.42888729e-05 4.55853210e-14] [-5.20154671e-04 6.94518680e-14 3.15836256e-05] [ 5.20154671e-04 2.52394541e-14 -3.15836252e-05] [-1.22580091e-04 5.84732789e-04 -1.22580091e-04] [-1.35410438e-04 5.81134395e-04 1.35410438e-04] [ 1.22580091e-04 5.84732788e-04 1.22580091e-04] [ 1.35410438e-04 5.81134395e-04 -1.35410438e-04] [ 1.35410438e-04 -5.81134395e-04 -1.35410438e-04] [ 1.22580091e-04 -5.84732788e-04 1.22580091e-04] [-1.22580091e-04 -5.84732789e-04 -1.22580091e-04] [-1.35410438e-04 -5.81134395e-04 1.35410438e-04] [-1.22580091e-04 5.84732788e-04 -1.22580091e-04] [-1.35410438e-04 5.81134395e-04 1.35410438e-04] [ 1.22580091e-04 5.84732789e-04 1.22580091e-04] [ 1.35410438e-04 5.81134395e-04 -1.35410438e-04] [ 1.35410438e-04 -5.81134395e-04 -1.35410438e-04] [ 1.22580091e-04 -5.84732789e-04 1.22580091e-04] [-1.22580091e-04 -5.84732788e-04 -1.22580091e-04] [-1.35410438e-04 -5.81134395e-04 1.35410438e-04] [ 2.44249065e-13 3.49095752e-14 3.10279580e-13] [-2.93189120e-13 1.98567290e-14 -2.67460804e-13] [ 7.66126686e-05 -5.38955987e-05 1.46957940e-05] [ 7.66126685e-05 5.38955984e-05 1.46957937e-05] [-7.66126693e-05 -5.38955993e-05 -1.46957945e-05] [-7.66126693e-05 5.38955991e-05 -1.46957942e-05] [ 2.66732972e-04 7.50510765e-14 2.66732968e-04] [-2.99415378e-04 1.95954364e-14 2.99415379e-04] [ 2.99415376e-04 7.11652959e-14 -2.99415381e-04] [-2.66732971e-04 -6.53921362e-14 -2.66732968e-04] [ 1.46957907e-05 -5.38955954e-05 7.66126685e-05] [-1.46957912e-05 -5.38955962e-05 -7.66126695e-05] [ 1.46957912e-05 5.38955957e-05 7.66126685e-05] [-1.46957917e-05 5.38955966e-05 -7.66126694e-05] [ 7.66126694e-05 -5.38955966e-05 1.46957918e-05] [ 7.66126694e-05 5.38955963e-05 1.46957914e-05] [-7.66126686e-05 -5.38955951e-05 -1.46957906e-05] [-7.66126686e-05 5.38955948e-05 -1.46957901e-05] [ 2.66732969e-04 -8.18075567e-14 2.66732971e-04] [-2.99415379e-04 -8.35828377e-14 2.99415378e-04] [ 2.99415380e-04 -7.39413191e-14 -2.99415377e-04] [-2.66732969e-04 -3.13955439e-14 -2.66732971e-04] [ 1.46957945e-05 -5.38955994e-05 7.66126694e-05] [-1.46957940e-05 -5.38955985e-05 -7.66126685e-05] [ 1.46957948e-05 5.38955996e-05 7.66126693e-05] [-1.46957942e-05 5.38955988e-05 -7.66126685e-05]] Final stress: [-4.84505917e-06 -4.55503092e-06 -4.84505917e-06 1.44633277e-17 -8.37234160e-05 -1.19479664e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.65042478e-05 4.22410795e-04 4.22410795e-04] [-3.65042478e-05 -4.22410795e-04 -4.22410795e-04] [ 4.22420088e-04 4.04031314e-05 5.31224602e-06] [-4.22420088e-04 -4.04031315e-05 -5.31224610e-06] [ 4.22420088e-04 5.31224612e-06 4.04031315e-05] [-4.22420088e-04 -5.31224616e-06 -4.04031313e-05] [ 3.65042476e-05 4.22410795e-04 4.22410795e-04] [-3.65042477e-05 -4.22410795e-04 -4.22410795e-04] [ 4.22420088e-04 4.04031316e-05 5.31224612e-06] [-4.22420088e-04 -4.04031314e-05 -5.31224612e-06] [ 4.22420088e-04 5.31224616e-06 4.04031314e-05] [-4.22420088e-04 -5.31224614e-06 -4.04031315e-05] [-8.61902848e-06 -4.46224119e-04 -4.46224119e-04] [-8.74617680e-06 -4.43719908e-04 -4.34842648e-04] [-8.74617682e-06 -4.34842648e-04 -4.43719908e-04] [ 1.84513724e-05 -4.59398760e-04 -4.59398760e-04] [ 8.74617700e-06 4.43719908e-04 4.34842648e-04] [ 8.61902841e-06 4.46224119e-04 4.46224119e-04] [ 8.74617680e-06 4.34842648e-04 4.43719908e-04] [-1.84513724e-05 4.59398760e-04 4.59398760e-04] [-8.61902839e-06 -4.46224119e-04 -4.46224119e-04] [-8.74617692e-06 -4.43719908e-04 -4.34842648e-04] [-8.74617673e-06 -4.34842648e-04 -4.43719908e-04] [ 1.84513723e-05 -4.59398760e-04 -4.59398761e-04] [ 8.74617694e-06 4.43719908e-04 4.34842648e-04] [ 8.61902846e-06 4.46224119e-04 4.46224119e-04] [ 8.74617718e-06 4.34842648e-04 4.43719908e-04] [-1.84513724e-05 4.59398760e-04 4.59398760e-04] [-1.20327359e-13 1.96904992e-13 -8.86582474e-14] [-1.99717652e-14 -5.50866481e-14 1.31995508e-13] [-2.82304038e-04 -2.30712008e-05 -2.30712009e-05] [-1.97064587e-13 2.96945152e-05 -2.96945155e-05] [ 7.02771175e-14 -2.96945143e-05 2.96945162e-05] [ 2.82304038e-04 2.30711996e-05 2.30712019e-05] [-1.98202332e-04 -1.40293816e-04 -2.16687282e-04] [ 1.65541077e-04 -1.42041665e-04 -1.47096709e-04] [-1.65541077e-04 1.42041665e-04 1.47096709e-04] [ 1.98202333e-04 1.40293815e-04 2.16687282e-04] [-1.98202332e-04 -2.16687282e-04 -1.40293815e-04] [-1.65541078e-04 1.47096708e-04 1.42041665e-04] [ 1.65541078e-04 -1.47096708e-04 -1.42041664e-04] [ 1.98202332e-04 2.16687283e-04 1.40293815e-04] [-2.82304038e-04 -2.30712012e-05 -2.30712004e-05] [ 1.68573705e-13 2.96945156e-05 -2.96945152e-05] [-4.75533682e-14 -2.96945158e-05 2.96945149e-05] [ 2.82304038e-04 2.30712012e-05 2.30712003e-05] [-1.98202331e-04 -1.40293815e-04 -2.16687283e-04] [ 1.65541078e-04 -1.42041664e-04 -1.47096708e-04] [-1.65541079e-04 1.42041665e-04 1.47096708e-04] [ 1.98202332e-04 1.40293815e-04 2.16687282e-04] [-1.98202333e-04 -2.16687282e-04 -1.40293816e-04] [-1.65541077e-04 1.47096709e-04 1.42041664e-04] [ 1.65541077e-04 -1.47096709e-04 -1.42041665e-04] [ 1.98202333e-04 2.16687282e-04 1.40293815e-04]] Final stress: [-4.81788791e-06 -4.72508893e-06 -4.72508893e-06 -5.67828904e-08 4.16392932e-05 4.16392932e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.82376344e-05 -4.12302063e-04 4.12302062e-04] [-3.82376345e-05 4.12302063e-04 -4.12302062e-04] [-4.12311066e-04 4.21957203e-05 -5.24468546e-06] [ 4.12311066e-04 -4.21957208e-05 5.24468553e-06] [ 4.12311066e-04 -5.24468551e-06 4.21957204e-05] [-4.12311066e-04 5.24468541e-06 -4.21957205e-05] [ 3.82376347e-05 -4.12302063e-04 4.12302062e-04] [-3.82376344e-05 4.12302062e-04 -4.12302063e-04] [-4.12311066e-04 4.21957207e-05 -5.24468546e-06] [ 4.12311066e-04 -4.21957204e-05 5.24468534e-06] [ 4.12311066e-04 -5.24468539e-06 4.21957204e-05] [-4.12311066e-04 5.24468544e-06 -4.21957204e-05] [ 8.66991861e-06 -4.44083065e-04 4.52955671e-04] [ 4.85837745e-05 -4.01502495e-04 4.01502495e-04] [-5.63672414e-05 -3.90574727e-04 3.90574727e-04] [ 8.66991851e-06 -4.52955671e-04 4.44083065e-04] [-4.85837745e-05 4.01502494e-04 -4.01502495e-04] [-8.66991860e-06 4.44083065e-04 -4.52955671e-04] [ 5.63672413e-05 3.90574727e-04 -3.90574727e-04] [-8.66991870e-06 4.52955671e-04 -4.44083065e-04] [ 8.66991844e-06 -4.44083065e-04 4.52955671e-04] [ 4.85837745e-05 -4.01502495e-04 4.01502495e-04] [-5.63672413e-05 -3.90574727e-04 3.90574727e-04] [ 8.66991860e-06 -4.52955671e-04 4.44083065e-04] [-4.85837744e-05 4.01502495e-04 -4.01502495e-04] [-8.66991871e-06 4.44083065e-04 -4.52955671e-04] [ 5.63672416e-05 3.90574727e-04 -3.90574727e-04] [-8.66991842e-06 4.52955671e-04 -4.44083065e-04] [ 9.98576222e-14 2.09457451e-13 1.23574762e-13] [-2.45930535e-14 -1.73599144e-13 -1.83630951e-13] [-1.70918835e-13 -3.04315998e-05 -3.04316016e-05] [-1.82003795e-04 2.36056695e-05 -2.36056714e-05] [ 1.82003794e-04 -2.36056695e-05 2.36056713e-05] [-1.49935619e-13 3.04315998e-05 3.04316017e-05] [-2.13763189e-04 9.03090894e-05 -2.32908153e-04] [ 1.80563665e-04 9.17285053e-05 -1.61461629e-04] [-1.80563665e-04 -9.17285057e-05 1.61461629e-04] [ 2.13763188e-04 -9.03090899e-05 2.32908154e-04] [ 1.80563668e-04 1.61461626e-04 -9.17285055e-05] [ 2.13763186e-04 -2.32908157e-04 9.03090896e-05] [-2.13763187e-04 2.32908156e-04 -9.03090896e-05] [-1.80563667e-04 -1.61461627e-04 9.17285054e-05] [ 1.66200936e-13 -3.04316015e-05 -3.04315999e-05] [-1.82003794e-04 2.36056719e-05 -2.36056688e-05] [ 1.82003795e-04 -2.36056715e-05 2.36056695e-05] [ 1.62203421e-13 3.04316023e-05 3.04315989e-05] [-2.13763187e-04 9.03090899e-05 -2.32908156e-04] [ 1.80563667e-04 9.17285058e-05 -1.61461627e-04] [-1.80563667e-04 -9.17285052e-05 1.61461627e-04] [ 2.13763186e-04 -9.03090893e-05 2.32908156e-04] [ 1.80563666e-04 1.61461629e-04 -9.17285054e-05] [ 2.13763189e-04 -2.32908154e-04 9.03090897e-05] [-2.13763188e-04 2.32908154e-04 -9.03090897e-05] [-1.80563665e-04 -1.61461629e-04 9.17285055e-05]] Final stress: [-4.82441018e-06 -4.72964473e-06 -4.72964473e-06 5.51709858e-08 4.16656417e-05 -4.16656417e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.82375537e-05 4.12302653e-04 -4.12302653e-04] [-3.82375534e-05 -4.12302653e-04 4.12302653e-04] [ 4.12311656e-04 4.21956363e-05 -5.24468530e-06] [-4.12311656e-04 -4.21956366e-05 5.24468530e-06] [-4.12311656e-04 -5.24468520e-06 4.21956363e-05] [ 4.12311656e-04 5.24468521e-06 -4.21956365e-05] [ 3.82375535e-05 4.12302653e-04 -4.12302653e-04] [-3.82375536e-05 -4.12302653e-04 4.12302653e-04] [ 4.12311656e-04 4.21956367e-05 -5.24468517e-06] [-4.12311656e-04 -4.21956362e-05 5.24468512e-06] [-4.12311656e-04 -5.24468540e-06 4.21956366e-05] [ 4.12311657e-04 5.24468518e-06 -4.21956363e-05] [ 8.66990784e-06 4.52955324e-04 -4.44082740e-04] [-5.63668747e-05 3.90574757e-04 -3.90574758e-04] [ 4.85834176e-05 4.01502516e-04 -4.01502515e-04] [ 8.66990761e-06 4.44082741e-04 -4.52955323e-04] [ 5.63668748e-05 -3.90574757e-04 3.90574758e-04] [-8.66990764e-06 -4.52955323e-04 4.44082740e-04] [-4.85834178e-05 -4.01502515e-04 4.01502515e-04] [-8.66990792e-06 -4.44082740e-04 4.52955324e-04] [ 8.66990757e-06 4.52955323e-04 -4.44082740e-04] [-5.63668747e-05 3.90574758e-04 -3.90574757e-04] [ 4.85834177e-05 4.01502515e-04 -4.01502515e-04] [ 8.66990792e-06 4.44082740e-04 -4.52955324e-04] [ 5.63668746e-05 -3.90574757e-04 3.90574757e-04] [-8.66990791e-06 -4.52955324e-04 4.44082740e-04] [-4.85834176e-05 -4.01502516e-04 4.01502516e-04] [-8.66990762e-06 -4.44082741e-04 4.52955323e-04] [-1.13825616e-13 3.55743213e-13 2.02171613e-13] [ 4.65585651e-14 -3.73645941e-13 -2.55281157e-13] [ 8.32112157e-14 -3.04315826e-05 -3.04315866e-05] [ 1.82004862e-04 2.36056532e-05 -2.36056571e-05] [-1.82004861e-04 -2.36056529e-05 2.36056572e-05] [ 1.25066624e-13 3.04315826e-05 3.04315868e-05] [ 1.80563542e-04 -9.17290402e-05 1.61461513e-04] [-2.13763042e-04 -9.03096220e-05 2.32908000e-04] [ 2.13763041e-04 9.03096216e-05 -2.32908000e-04] [-1.80563542e-04 9.17290397e-05 -1.61461513e-04] [-2.13763037e-04 -2.32908004e-04 9.03096218e-05] [-1.80563546e-04 1.61461508e-04 -9.17290400e-05] [ 1.80563545e-04 -1.61461509e-04 9.17290399e-05] [ 2.13763038e-04 2.32908003e-04 -9.03096220e-05] [-1.26572130e-13 -3.04315865e-05 -3.04315829e-05] [ 1.82004861e-04 2.36056575e-05 -2.36056526e-05] [-1.82004861e-04 -2.36056565e-05 2.36056535e-05] [-5.51604660e-14 3.04315868e-05 3.04315823e-05] [ 1.80563546e-04 -9.17290398e-05 1.61461509e-04] [-2.13763038e-04 -9.03096217e-05 2.32908004e-04] [ 2.13763037e-04 9.03096222e-05 -2.32908004e-04] [-1.80563546e-04 9.17290402e-05 -1.61461509e-04] [-2.13763042e-04 -2.32908000e-04 9.03096219e-05] [-1.80563542e-04 1.61461513e-04 -9.17290400e-05] [ 1.80563542e-04 -1.61461513e-04 9.17290400e-05] [ 2.13763041e-04 2.32908000e-04 -9.03096218e-05]] Final stress: [-4.82440982e-06 -4.72964439e-06 -4.72964439e-06 5.51709973e-08 -4.16656397e-05 4.16656397e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.74070550e-05 -4.12686213e-04 -4.12686213e-04] [-3.74070549e-05 4.12686213e-04 4.12686213e-04] [-4.12695292e-04 4.13298654e-05 5.20501277e-06] [ 4.12695292e-04 -4.13298655e-05 -5.20501268e-06] [-4.12695292e-04 5.20501278e-06 4.13298657e-05] [ 4.12695292e-04 -5.20501273e-06 -4.13298652e-05] [ 3.74070550e-05 -4.12686213e-04 -4.12686213e-04] [-3.74070549e-05 4.12686213e-04 4.12686213e-04] [-4.12695292e-04 4.13298654e-05 5.20501279e-06] [ 4.12695292e-04 -4.13298653e-05 -5.20501270e-06] [-4.12695292e-04 5.20501275e-06 4.13298651e-05] [ 4.12695292e-04 -5.20501283e-06 -4.13298658e-05] [-4.60872737e-05 4.01387213e-04 4.01387213e-04] [-8.96558233e-06 4.41232850e-04 4.50625770e-04] [-8.96558248e-06 4.50625771e-04 4.41232850e-04] [ 5.40731428e-05 3.90300578e-04 3.90300578e-04] [ 8.96558254e-06 -4.41232850e-04 -4.50625771e-04] [ 4.60872734e-05 -4.01387213e-04 -4.01387213e-04] [ 8.96558212e-06 -4.50625770e-04 -4.41232850e-04] [-5.40731427e-05 -3.90300578e-04 -3.90300578e-04] [-4.60872734e-05 4.01387213e-04 4.01387213e-04] [-8.96558252e-06 4.41232850e-04 4.50625770e-04] [-8.96558226e-06 4.50625770e-04 4.41232850e-04] [ 5.40731428e-05 3.90300578e-04 3.90300578e-04] [ 8.96558243e-06 -4.41232850e-04 -4.50625771e-04] [ 4.60872736e-05 -4.01387213e-04 -4.01387213e-04] [ 8.96558272e-06 -4.50625771e-04 -4.41232850e-04] [-5.40731428e-05 -3.90300578e-04 -3.90300578e-04] [-1.33650035e-13 -4.63101779e-14 -4.21843116e-13] [ 1.75214903e-13 -1.25189524e-13 3.38445127e-13] [ 1.80780366e-04 -2.33113188e-05 -2.33113197e-05] [-1.47493129e-13 3.01682978e-05 -3.01683002e-05] [-2.12052598e-14 -3.01682970e-05 3.01683006e-05] [-1.80780366e-04 2.33113168e-05 2.33113216e-05] [ 1.78941818e-04 9.10699113e-05 1.59291847e-04] [-2.10998796e-04 8.97454469e-05 2.30693288e-04] [ 2.10998798e-04 -8.97454471e-05 -2.30693287e-04] [-1.78941819e-04 -9.10699116e-05 -1.59291846e-04] [ 1.78941821e-04 1.59291844e-04 9.10699120e-05] [ 2.10998794e-04 -2.30693291e-04 -8.97454465e-05] [-2.10998794e-04 2.30693290e-04 8.97454477e-05] [-1.78941822e-04 -1.59291843e-04 -9.10699108e-05] [ 1.80780366e-04 -2.33113200e-05 -2.33113184e-05] [ 9.37753937e-14 3.01682998e-05 -3.01682980e-05] [ 4.08915692e-14 -3.01683010e-05 3.01682973e-05] [-1.80780366e-04 2.33113211e-05 2.33113176e-05] [ 1.78941822e-04 9.10699116e-05 1.59291843e-04] [-2.10998795e-04 8.97454473e-05 2.30693290e-04] [ 2.10998793e-04 -8.97454469e-05 -2.30693291e-04] [-1.78941821e-04 -9.10699112e-05 -1.59291844e-04] [ 1.78941818e-04 1.59291847e-04 9.10699109e-05] [ 2.10998797e-04 -2.30693287e-04 -8.97454476e-05] [-2.10998797e-04 2.30693288e-04 8.97454464e-05] [-1.78941819e-04 -1.59291846e-04 -9.10699121e-05]] Final stress: [-4.82217141e-06 -4.72635388e-06 -4.72635388e-06 -5.49577017e-08 -4.16653064e-05 -4.16653064e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.47459828e-05 5.21965848e-04 -9.71445147e-16] [-3.47459827e-05 -5.21965848e-04 -1.78884685e-14] [ 5.21965848e-04 3.47459829e-05 -3.15719673e-14] [-5.21965848e-04 -3.47459827e-05 2.99205105e-14] [ 9.17321774e-15 -6.52256027e-16 4.79816889e-05] [-2.46330734e-14 -5.49144064e-14 -4.79816891e-05] [ 3.47459829e-05 5.21965849e-04 -8.30841911e-15] [-3.47459829e-05 -5.21965848e-04 -6.91081036e-14] [ 5.21965849e-04 3.47459825e-05 -4.38998014e-14] [-5.21965848e-04 -3.47459828e-05 -7.59858281e-14] [ 8.64183310e-14 1.09067914e-13 4.79816891e-05] [ 1.05564557e-13 6.43433603e-14 -4.79816889e-05] [ 1.57155702e-04 1.57155702e-04 -5.78042660e-04] [-1.57155702e-04 -1.57155702e-04 -5.78042660e-04] [ 1.46666472e-04 -1.46666472e-04 -5.80395619e-04] [-1.46666472e-04 1.46666472e-04 -5.80395619e-04] [ 1.57155701e-04 1.57155702e-04 5.78042660e-04] [-1.57155702e-04 -1.57155702e-04 5.78042660e-04] [-1.46666472e-04 1.46666472e-04 5.80395619e-04] [ 1.46666472e-04 -1.46666472e-04 5.80395619e-04] [ 1.57155702e-04 1.57155702e-04 -5.78042660e-04] [-1.57155701e-04 -1.57155701e-04 -5.78042660e-04] [ 1.46666472e-04 -1.46666472e-04 -5.80395619e-04] [-1.46666472e-04 1.46666472e-04 -5.80395619e-04] [ 1.57155702e-04 1.57155702e-04 5.78042660e-04] [-1.57155702e-04 -1.57155702e-04 5.78042660e-04] [-1.46666472e-04 1.46666472e-04 5.80395619e-04] [ 1.46666472e-04 -1.46666472e-04 5.80395619e-04] [-1.17822418e-13 -2.57099897e-13 1.66283654e-13] [ 1.74624621e-13 2.55428600e-13 -1.47362689e-13] [-4.99498232e-05 8.27405879e-06 -5.00930513e-05] [ 4.99498228e-05 -8.27405900e-06 -5.00930516e-05] [-4.99498232e-05 8.27405837e-06 5.00930512e-05] [ 4.99498228e-05 -8.27405850e-06 5.00930512e-05] [ 8.27406071e-06 -4.99498230e-05 -5.00930533e-05] [ 8.27406044e-06 -4.99498230e-05 5.00930532e-05] [-8.27406104e-06 4.99498232e-05 -5.00930537e-05] [-8.27406079e-06 4.99498231e-05 5.00930535e-05] [-3.31244323e-04 -3.31244320e-04 -1.30062627e-13] [-2.95311401e-04 2.95311404e-04 -2.01116901e-13] [ 2.95311401e-04 -2.95311404e-04 -8.74300632e-14] [ 3.31244322e-04 3.31244320e-04 -1.17017507e-13] [-4.99498229e-05 8.27406081e-06 -5.00930534e-05] [ 4.99498232e-05 -8.27406088e-06 -5.00930535e-05] [-4.99498230e-05 8.27406093e-06 5.00930535e-05] [ 4.99498231e-05 -8.27406117e-06 5.00930539e-05] [ 8.27405839e-06 -4.99498230e-05 -5.00930510e-05] [ 8.27405878e-06 -4.99498229e-05 5.00930513e-05] [-8.27405812e-06 4.99498229e-05 -5.00930508e-05] [-8.27405850e-06 4.99498229e-05 5.00930510e-05] [-3.31244320e-04 -3.31244322e-04 1.30660721e-13] [-2.95311403e-04 2.95311402e-04 1.94048434e-13] [ 2.95311404e-04 -2.95311402e-04 9.47623520e-14] [ 3.31244321e-04 3.31244322e-04 8.28479041e-14]] Final stress: [-4.84985414e-06 -4.84985414e-06 -4.57872837e-06 -1.23671933e-17 -1.25768067e-17 8.37309129e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.40485510e-05 -5.21604201e-04 -3.38618023e-15] [-3.40485513e-05 5.21604201e-04 -3.06005221e-14] [-5.21604201e-04 3.40485509e-05 -2.36061171e-14] [ 5.21604201e-04 -3.40485512e-05 -4.97796249e-14] [ 9.15933995e-15 -4.70318229e-14 4.71654275e-05] [-2.85188539e-14 -2.11775042e-14 -4.71654278e-05] [ 3.40485511e-05 -5.21604201e-04 -1.13675686e-14] [-3.40485510e-05 5.21604201e-04 -2.09684971e-14] [-5.21604201e-04 3.40485513e-05 -1.41700736e-14] [ 5.21604201e-04 -3.40485510e-05 -6.23828720e-14] [-1.87767025e-14 -1.16828447e-14 4.71654278e-05] [-3.47134363e-14 -3.79553160e-14 -4.71654276e-05] [-1.42283472e-04 -1.42283472e-04 5.80436836e-04] [ 1.42283472e-04 1.42283472e-04 5.80436836e-04] [-1.53253378e-04 1.53253378e-04 5.77845363e-04] [ 1.53253378e-04 -1.53253378e-04 5.77845363e-04] [-1.42283472e-04 -1.42283472e-04 -5.80436836e-04] [ 1.42283472e-04 1.42283472e-04 -5.80436836e-04] [ 1.53253378e-04 -1.53253378e-04 -5.77845363e-04] [-1.53253378e-04 1.53253378e-04 -5.77845363e-04] [-1.42283472e-04 -1.42283472e-04 5.80436836e-04] [ 1.42283472e-04 1.42283472e-04 5.80436836e-04] [-1.53253378e-04 1.53253378e-04 5.77845363e-04] [ 1.53253378e-04 -1.53253378e-04 5.77845363e-04] [-1.42283472e-04 -1.42283472e-04 -5.80436836e-04] [ 1.42283472e-04 1.42283472e-04 -5.80436837e-04] [ 1.53253378e-04 -1.53253378e-04 -5.77845363e-04] [-1.53253378e-04 1.53253378e-04 -5.77845363e-04] [ 1.89750993e-13 1.65513436e-13 2.12087292e-13] [-1.57123571e-13 -1.84671575e-13 -1.68928847e-13] [ 5.40385868e-05 9.68918154e-06 -5.09487772e-05] [-5.40385872e-05 -9.68918197e-06 -5.09487779e-05] [ 5.40385869e-05 9.68918119e-06 5.09487770e-05] [-5.40385873e-05 -9.68918176e-06 5.09487777e-05] [ 9.68918125e-06 5.40385864e-05 -5.09487770e-05] [ 9.68918074e-06 5.40385865e-05 5.09487765e-05] [-9.68918142e-06 -5.40385874e-05 -5.09487772e-05] [-9.68918087e-06 -5.40385875e-05 5.09487768e-05] [ 2.89567955e-04 2.89567954e-04 -2.61568545e-13] [ 3.24798949e-04 -3.24798952e-04 -2.21656027e-13] [-3.24798951e-04 3.24798950e-04 -1.74638082e-13] [-2.89567954e-04 -2.89567954e-04 -2.31592523e-13] [ 5.40385872e-05 9.68918120e-06 -5.09487772e-05] [-5.40385868e-05 -9.68918009e-06 -5.09487757e-05] [ 5.40385872e-05 9.68918175e-06 5.09487776e-05] [-5.40385868e-05 -9.68918066e-06 5.09487762e-05] [ 9.68918203e-06 5.40385875e-05 -5.09487778e-05] [ 9.68918222e-06 5.40385876e-05 5.09487780e-05] [-9.68918146e-06 -5.40385866e-05 -5.09487771e-05] [-9.68918171e-06 -5.40385865e-05 5.09487773e-05] [ 2.89567954e-04 2.89567955e-04 2.24141465e-13] [ 3.24798951e-04 -3.24798950e-04 1.66857113e-13] [-3.24798950e-04 3.24798951e-04 1.63157236e-13] [-2.89567955e-04 -2.89567954e-04 1.86457009e-13]] Final stress: [-4.84876490e-06 -4.84876490e-06 -4.57340864e-06 -7.06397310e-17 -3.98265546e-17 -8.37297067e-05] Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.25802674e-04 -5.62480618e-13 -5.14560616e-13] [ 7.25802674e-04 1.32671651e-14 -1.31186728e-12] [-2.68951528e-14 1.03245376e-04 6.32079480e-05] [ 1.84283144e-13 -1.03245374e-04 -6.32079479e-05] [-2.30648833e-13 6.32079474e-05 1.03245375e-04] [ 6.14480689e-13 -6.32079479e-05 -1.03245374e-04] [-7.25802673e-04 5.61018790e-13 2.34358197e-13] [ 7.25802675e-04 -1.54024945e-14 7.57874395e-14] [-2.90567415e-13 1.03245374e-04 6.32079485e-05] [ 2.17573708e-13 -1.03245376e-04 -6.32079470e-05] [-2.83306260e-13 6.32079483e-05 1.03245374e-04] [-4.80417653e-13 -6.32079473e-05 -1.03245375e-04] [ 2.82017680e-04 2.33723627e-04 2.33723626e-04] [-4.30090439e-04 -1.85223762e-04 1.85223762e-04] [-4.30090439e-04 1.85223762e-04 -1.85223762e-04] [ 2.82017683e-04 -2.33723629e-04 -2.33723629e-04] [ 4.30090439e-04 1.85223763e-04 -1.85223763e-04] [-2.82017683e-04 -2.33723629e-04 -2.33723629e-04] [ 4.30090440e-04 -1.85223763e-04 1.85223764e-04] [-2.82017680e-04 2.33723626e-04 2.33723625e-04] [ 2.82017683e-04 2.33723629e-04 2.33723630e-04] [-4.30090440e-04 -1.85223763e-04 1.85223762e-04] [-4.30090440e-04 1.85223764e-04 -1.85223763e-04] [ 2.82017680e-04 -2.33723626e-04 -2.33723626e-04] [ 4.30090439e-04 1.85223763e-04 -1.85223762e-04] [-2.82017681e-04 -2.33723626e-04 -2.33723626e-04] [ 4.30090438e-04 -1.85223763e-04 1.85223763e-04] [-2.82017682e-04 2.33723628e-04 2.33723628e-04] [ 3.70398157e-14 -2.05391953e-12 -1.55354896e-12] [-2.06530441e-12 2.68729567e-12 1.99969227e-12] [ 3.78863607e-13 6.59068369e-04 6.59068293e-04] [ 1.07819309e-12 4.72623797e-04 -4.72623867e-04] [-5.57998092e-13 -4.72623801e-04 4.72623864e-04] [ 3.29958283e-13 -6.59068358e-04 -6.59068306e-04] [-1.46028207e-04 -6.18746970e-05 -1.43568603e-04] [-1.46028203e-04 6.18747011e-05 1.43568605e-04] [ 1.46028206e-04 -6.18746986e-05 -1.43568604e-04] [ 1.46028204e-04 6.18747002e-05 1.43568606e-04] [-1.46028149e-04 -1.43568660e-04 -6.18747012e-05] [ 1.46028150e-04 -1.43568660e-04 -6.18747011e-05] [-1.46028147e-04 1.43568661e-04 6.18746976e-05] [ 1.46028145e-04 1.43568664e-04 6.18746989e-05] [ 8.49605156e-13 6.59068305e-04 6.59068359e-04] [-1.32472169e-13 4.72623858e-04 -4.72623807e-04] [ 2.36721889e-12 -4.72623862e-04 4.72623803e-04] [-1.91136768e-13 -6.59068304e-04 -6.59068358e-04] [-1.46028149e-04 -6.18747024e-05 -1.43568660e-04] [-1.46028141e-04 6.18746974e-05 1.43568668e-04] [ 1.46028150e-04 -6.18747013e-05 -1.43568660e-04] [ 1.46028141e-04 6.18746982e-05 1.43568668e-04] [-1.46028206e-04 -1.43568602e-04 -6.18746976e-05] [ 1.46028205e-04 -1.43568604e-04 -6.18746987e-05] [-1.46028209e-04 1.43568600e-04 6.18747001e-05] [ 1.46028210e-04 1.43568600e-04 6.18746993e-05]] Final stress: [ 1.08179715e-05 1.84904606e-05 1.84904606e-05 2.59851480e-05 -5.62567306e-16 2.23538760e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.26425405e-04 -2.58071342e-13 2.45262144e-13] [ 7.26425403e-04 1.14852572e-13 -1.89931404e-13] [-1.44204093e-13 1.01121148e-04 -6.45856763e-05] [ 2.09970930e-14 -1.01121148e-04 6.45856758e-05] [ 3.96488398e-14 -6.45856765e-05 1.01121145e-04] [-2.64580025e-13 6.45856765e-05 -1.01121152e-04] [-7.26425403e-04 5.91656963e-13 5.04223378e-13] [ 7.26425405e-04 -1.82591172e-13 1.10780336e-13] [ 3.89895489e-15 1.01121148e-04 -6.45856759e-05] [ 4.49066159e-13 -1.01121149e-04 6.45856764e-05] [ 5.54955752e-13 -6.45856759e-05 1.01121151e-04] [ 3.64173515e-13 6.45856763e-05 -1.01121146e-04] [ 4.32766372e-04 1.85317768e-04 1.85317767e-04] [-2.84131709e-04 -2.34154326e-04 2.34154325e-04] [-2.84131707e-04 2.34154324e-04 -2.34154324e-04] [ 4.32766370e-04 -1.85317766e-04 -1.85317766e-04] [ 2.84131704e-04 2.34154323e-04 -2.34154323e-04] [-4.32766370e-04 -1.85317765e-04 -1.85317766e-04] [ 2.84131709e-04 -2.34154326e-04 2.34154326e-04] [-4.32766371e-04 1.85317766e-04 1.85317764e-04] [ 4.32766370e-04 1.85317764e-04 1.85317765e-04] [-2.84131705e-04 -2.34154323e-04 2.34154324e-04] [-2.84131709e-04 2.34154327e-04 -2.34154325e-04] [ 4.32766371e-04 -1.85317766e-04 -1.85317765e-04] [ 2.84131710e-04 2.34154326e-04 -2.34154325e-04] [-4.32766372e-04 -1.85317768e-04 -1.85317767e-04] [ 2.84131707e-04 -2.34154323e-04 2.34154324e-04] [-4.32766370e-04 1.85317766e-04 1.85317767e-04] [ 1.08776876e-12 -3.66533193e-13 3.83823529e-12] [-5.14117949e-13 1.12873553e-12 -2.37976847e-12] [-4.86743978e-12 -4.69081174e-04 -4.69081236e-04] [-3.50136586e-12 -6.60971613e-04 6.60971556e-04] [-4.13508117e-12 6.60971600e-04 -6.60971565e-04] [-3.78791443e-12 4.69081191e-04 4.69081221e-04] [-1.43591939e-04 6.28641970e-05 -1.46069212e-04] [-1.43591956e-04 -6.28641955e-05 1.46069199e-04] [ 1.43591931e-04 6.28641973e-05 -1.46069222e-04] [ 1.43591948e-04 -6.28641972e-05 1.46069209e-04] [-1.43591901e-04 -1.46069253e-04 6.28641887e-05] [ 1.43591896e-04 -1.46069259e-04 6.28641897e-05] [-1.43591899e-04 1.46069254e-04 -6.28642037e-05] [ 1.43591892e-04 1.46069262e-04 -6.28642040e-05] [ 4.47499885e-12 -4.69081239e-04 -4.69081174e-04] [ 2.61613970e-12 -6.60971552e-04 6.60971613e-04] [ 3.83537990e-12 6.60971568e-04 -6.60971601e-04] [ 3.47536416e-12 4.69081219e-04 4.69081189e-04] [-1.43591901e-04 6.28641954e-05 -1.46069255e-04] [-1.43591886e-04 -6.28641987e-05 1.46069266e-04] [ 1.43591908e-04 6.28641954e-05 -1.46069246e-04] [ 1.43591893e-04 -6.28641977e-05 1.46069258e-04] [-1.43591939e-04 -1.46069215e-04 6.28642040e-05] [ 1.43591947e-04 -1.46069206e-04 6.28642039e-05] [-1.43591940e-04 1.46069215e-04 -6.28641902e-05] [ 1.43591948e-04 1.46069205e-04 -6.28641888e-05]] Final stress: [ 1.08414329e-05 1.84846522e-05 1.84846522e-05 -2.59811031e-05 -1.21526276e-15 2.91554070e-16] Minimization converged after 41 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 2.05725962e-03 1.32271971e-12 4.98392994e-13] [-2.05725962e-03 2.33234265e-12 3.58990615e-13] [-6.88157864e-13 -4.23728212e-04 3.46210113e-04] [-4.04176692e-13 4.23728210e-04 -3.46210112e-04] [-4.93438623e-13 3.46210112e-04 -4.23728211e-04] [-1.68531855e-12 -3.46210114e-04 4.23728212e-04] [ 2.05725962e-03 5.07873994e-13 -1.17948681e-12] [-2.05725962e-03 3.83606287e-13 -1.77322265e-12] [-4.77679795e-13 -4.23728212e-04 3.46210113e-04] [ 2.32815449e-13 4.23728211e-04 -3.46210113e-04] [ 7.20048486e-13 3.46210112e-04 -4.23728212e-04] [ 1.55640652e-12 -3.46210116e-04 4.23728210e-04] [-5.94911353e-04 -6.88037998e-04 -6.88038000e-04] [ 9.84112366e-04 2.25683550e-04 -2.25683550e-04] [ 9.84112364e-04 -2.25683549e-04 2.25683551e-04] [-5.94911352e-04 6.88038000e-04 6.88038000e-04] [-9.84112368e-04 -2.25683550e-04 2.25683551e-04] [ 5.94911352e-04 6.88038001e-04 6.88038001e-04] [-9.84112367e-04 2.25683550e-04 -2.25683548e-04] [ 5.94911349e-04 -6.88037998e-04 -6.88038000e-04] [-5.94911351e-04 -6.88038000e-04 -6.88038003e-04] [ 9.84112367e-04 2.25683550e-04 -2.25683548e-04] [ 9.84112365e-04 -2.25683548e-04 2.25683549e-04] [-5.94911350e-04 6.88037998e-04 6.88037998e-04] [-9.84112366e-04 -2.25683550e-04 2.25683550e-04] [ 5.94911353e-04 6.88038000e-04 6.88037999e-04] [-9.84112365e-04 2.25683547e-04 -2.25683549e-04] [ 5.94911352e-04 -6.88038000e-04 -6.88038000e-04] [ 5.05200048e-13 2.25505031e-12 -8.92952379e-13] [-4.80481249e-13 1.10329796e-13 -8.97170775e-13] [-4.31388258e-12 -1.43036500e-03 -1.43036511e-03] [-5.29021271e-12 -1.96132379e-03 1.96132372e-03] [-7.13984427e-13 1.96132381e-03 -1.96132370e-03] [-1.59583458e-12 1.43036502e-03 1.43036509e-03] [ 4.99834488e-04 -5.59114851e-04 7.20779928e-04] [ 4.99834495e-04 5.59114857e-04 -7.20779920e-04] [-4.99834496e-04 -5.59114850e-04 7.20779916e-04] [-4.99834506e-04 5.59114858e-04 -7.20779907e-04] [ 4.99834581e-04 7.20779832e-04 -5.59114849e-04] [-4.99834585e-04 7.20779827e-04 -5.59114853e-04] [ 4.99834577e-04 -7.20779836e-04 5.59114858e-04] [-4.99834582e-04 -7.20779832e-04 5.59114856e-04] [ 4.81829801e-12 -1.43036509e-03 -1.43036502e-03] [ 4.62670030e-12 -1.96132372e-03 1.96132380e-03] [ 3.32596261e-12 1.96132371e-03 -1.96132380e-03] [ 3.90758424e-12 1.43036510e-03 1.43036501e-03] [ 4.99834584e-04 -5.59114857e-04 7.20779830e-04] [ 4.99834586e-04 5.59114851e-04 -7.20779826e-04] [-4.99834584e-04 -5.59114857e-04 7.20779831e-04] [-4.99834579e-04 5.59114850e-04 -7.20779836e-04] [ 4.99834511e-04 7.20779905e-04 -5.59114856e-04] [-4.99834500e-04 7.20779915e-04 -5.59114855e-04] [ 4.99834487e-04 -7.20779926e-04 5.59114851e-04] [-4.99834479e-04 -7.20779933e-04 5.59114853e-04]] Final stress: [-9.04248257e-06 -3.19805377e-05 -3.19805377e-05 -2.71930211e-05 -4.54470337e-16 1.83800550e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.15443518e-04 -2.16410223e-13 4.02805234e-05] [ 7.15443515e-04 -6.09040596e-13 -4.02805235e-05] [ 1.43496326e-13 9.24830929e-05 -1.83325577e-14] [ 4.89955299e-13 -9.24830949e-05 -7.57727214e-14] [ 4.13415148e-05 -6.36574127e-14 9.11578828e-05] [-4.13415144e-05 3.16621729e-13 -9.11578830e-05] [-7.15443515e-04 -1.71837614e-13 4.02805234e-05] [ 7.15443518e-04 2.07298371e-13 -4.02805232e-05] [-3.51350354e-13 9.24830943e-05 1.83894971e-13] [-2.08091330e-13 -9.24830930e-05 1.36138706e-13] [ 4.13415146e-05 3.13865940e-13 9.11578827e-05] [-4.13415149e-05 5.60848785e-13 -9.11578830e-05] [ 3.92889057e-04 1.30111318e-04 2.35334581e-04] [-3.14662343e-04 -2.68246525e-04 1.60832078e-04] [-3.92889057e-04 1.30111317e-04 -2.35334580e-04] [ 3.14662344e-04 -2.68246527e-04 -1.60832079e-04] [ 3.14662345e-04 2.68246527e-04 -1.60832081e-04] [-3.92889056e-04 -1.30111317e-04 -2.35334579e-04] [ 3.92889057e-04 -1.30111319e-04 2.35334581e-04] [-3.14662344e-04 2.68246525e-04 1.60832079e-04] [ 3.92889055e-04 1.30111318e-04 2.35334579e-04] [-3.14662345e-04 -2.68246527e-04 1.60832080e-04] [-3.92889057e-04 1.30111319e-04 -2.35334581e-04] [ 3.14662344e-04 -2.68246525e-04 -1.60832078e-04] [ 3.14662343e-04 2.68246526e-04 -1.60832078e-04] [-3.92889057e-04 -1.30111319e-04 -2.35334581e-04] [ 3.92889057e-04 -1.30111317e-04 2.35334580e-04] [-3.14662344e-04 2.68246526e-04 1.60832080e-04] [ 2.45345411e-12 7.31061045e-13 2.31349662e-13] [-2.54652276e-12 -3.81728347e-13 2.64891895e-13] [-5.07165975e-05 8.09055234e-05 8.09788394e-05] [-5.07165984e-05 -8.09055335e-05 8.09788277e-05] [ 5.07165945e-05 8.09055266e-05 -8.09788373e-05] [ 5.07165932e-05 -8.09055351e-05 -8.09788271e-05] [ 4.29717641e-04 -2.98333580e-12 4.10997124e-04] [-7.03714006e-04 -3.47349927e-12 7.27647199e-04] [ 7.03714002e-04 -2.20662377e-12 -7.27647205e-04] [-4.29717642e-04 -2.81835666e-12 -4.10997121e-04] [-1.35663076e-04 -1.57055896e-04 -5.27600784e-05] [ 1.35663073e-04 -1.57055901e-04 5.27600760e-05] [-1.35663078e-04 1.57055896e-04 -5.27600771e-05] [ 1.35663075e-04 1.57055900e-04 5.27600768e-05] [-5.07165939e-05 8.09055979e-05 8.09787642e-05] [-5.07165941e-05 -8.09055960e-05 8.09787665e-05] [ 5.07165980e-05 8.09055991e-05 -8.09787633e-05] [ 5.07165984e-05 -8.09055997e-05 -8.09787635e-05] [ 4.29717575e-04 2.57790513e-12 4.10997188e-04] [-7.03714072e-04 3.24618818e-12 7.27647135e-04] [ 7.03714074e-04 2.22881321e-12 -7.27647131e-04] [-4.29717571e-04 3.13170800e-12 -4.10997194e-04] [-1.35663011e-04 -1.57055965e-04 -5.27600770e-05] [ 1.35663014e-04 -1.57055960e-04 5.27600765e-05] [-1.35663000e-04 1.57055973e-04 -5.27600774e-05] [ 1.35663001e-04 1.57055971e-04 5.27600763e-05]] Final stress: [1.05013454e-05 1.87222681e-05 1.86722479e-05 2.46489997e-16 2.60355777e-05 3.03082088e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.71486366e-02 -5.99263694e-13 6.03163803e-03] [ 1.71486366e-02 -2.42129927e-12 -6.03163803e-03] [ 8.97121266e-12 4.61064362e-03 3.28648220e-12] [-9.82759707e-12 -4.61064356e-03 -1.27907407e-12] [ 5.66718692e-03 -1.43673823e-11 4.40668292e-03] [-5.66718692e-03 2.73545075e-13 -4.40668297e-03] [-1.71486366e-02 5.35651343e-12 6.03163803e-03] [ 1.71486366e-02 3.87462867e-12 -6.03163802e-03] [-3.80787537e-12 4.61064357e-03 -5.13268994e-12] [-8.39863403e-13 -4.61064363e-03 1.82820470e-12] [ 5.66718691e-03 1.40463616e-11 4.40668295e-03] [-5.66718691e-03 2.62407500e-13 -4.40668292e-03] [ 2.25459703e-03 5.44161571e-03 1.05554954e-05] [-8.17469355e-03 -3.40536512e-03 6.69670189e-03] [-2.25459701e-03 5.44161567e-03 -1.05554918e-05] [ 8.17469352e-03 -3.40536509e-03 -6.69670187e-03] [ 8.17469350e-03 3.40536507e-03 -6.69670185e-03] [-2.25459706e-03 -5.44161573e-03 -1.05555228e-05] [ 2.25459706e-03 -5.44161573e-03 1.05555396e-05] [-8.17469351e-03 3.40536509e-03 6.69670184e-03] [ 2.25459707e-03 5.44161572e-03 1.05555452e-05] [-8.17469350e-03 -3.40536507e-03 6.69670184e-03] [-2.25459707e-03 5.44161572e-03 -1.05555307e-05] [ 8.17469350e-03 -3.40536507e-03 -6.69670185e-03] [ 8.17469356e-03 3.40536511e-03 -6.69670189e-03] [-2.25459704e-03 -5.44161570e-03 -1.05554996e-05] [ 2.25459700e-03 -5.44161569e-03 1.05554716e-05] [-8.17469352e-03 3.40536507e-03 6.69670187e-03] [-2.26757502e-12 -6.34932731e-11 2.10471363e-11] [-8.24205258e-13 5.47786508e-11 -1.32051231e-11] [-2.53257514e-03 -3.65310547e-03 -3.16202108e-03] [-2.53257514e-03 3.65310554e-03 -3.16202098e-03] [ 2.53257512e-03 -3.65310552e-03 3.16202105e-03] [ 2.53257513e-03 3.65310564e-03 3.16202090e-03] [-2.45423630e-02 8.49747495e-11 -2.39273433e-02] [ 1.23149131e-02 5.31050759e-11 -1.31850745e-02] [-1.23149133e-02 5.94477245e-11 1.31850744e-02] [ 2.45423631e-02 4.64526195e-11 2.39273432e-02] [-5.10455959e-03 -4.84244867e-03 -3.07056624e-03] [ 5.10455957e-03 -4.84244868e-03 3.07056612e-03] [-5.10455949e-03 4.84244873e-03 -3.07056621e-03] [ 5.10455947e-03 4.84244876e-03 3.07056615e-03] [-2.53257511e-03 -3.65310551e-03 -3.16202103e-03] [-2.53257511e-03 3.65310546e-03 -3.16202112e-03] [ 2.53257514e-03 -3.65310541e-03 3.16202110e-03] [ 2.53257512e-03 3.65310532e-03 3.16202125e-03] [-2.45423632e-02 -6.93790132e-11 -2.39273431e-02] [ 1.23149132e-02 -3.20854906e-11 -1.31850745e-02] [-1.23149131e-02 -5.62753184e-11 1.31850746e-02] [ 2.45423632e-02 -3.19268498e-11 2.39273432e-02] [-5.10455934e-03 -4.84244889e-03 -3.07056615e-03] [ 5.10455935e-03 -4.84244887e-03 3.07056626e-03] [-5.10455947e-03 4.84244879e-03 -3.07056616e-03] [ 5.10455951e-03 4.84244876e-03 3.07056622e-03]] Final stress: [-1.32626113e-04 8.83392631e-05 2.99014125e-05 2.55942972e-15 -3.49047675e-05 -1.98762952e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 7.19653655e-04 2.88546964e-13 1.29865916e-05] [-7.19653655e-04 -1.33101863e-13 -1.29865911e-05] [ 3.99874578e-13 -7.89711842e-05 -2.50119370e-13] [ 9.73998660e-13 7.89711829e-05 -5.26328980e-13] [ 1.23235582e-05 -3.59351437e-13 -7.99232026e-05] [-1.23235575e-05 1.22471477e-13 7.99232022e-05] [ 7.19653654e-04 -4.16950016e-13 1.29865918e-05] [-7.19653654e-04 1.15224636e-13 -1.29865906e-05] [-2.79438826e-13 -7.89711825e-05 1.69788463e-13] [-5.97014747e-13 7.89711846e-05 2.18795115e-13] [ 1.23235574e-05 -2.67237641e-13 -7.99232032e-05] [-1.23235579e-05 -3.54355068e-13 7.99232012e-05] [-3.71032151e-04 -3.55085111e-04 -2.47346987e-04] [ 3.61538073e-04 1.31215404e-04 -2.41217314e-04] [ 3.71032151e-04 -3.55085111e-04 2.47346987e-04] [-3.61538072e-04 1.31215402e-04 2.41217312e-04] [-3.61538070e-04 -1.31215402e-04 2.41217310e-04] [ 3.71032152e-04 3.55085113e-04 2.47346989e-04] [-3.71032152e-04 3.55085112e-04 -2.47346988e-04] [ 3.61538073e-04 -1.31215404e-04 -2.41217313e-04] [-3.71032153e-04 -3.55085112e-04 -2.47346989e-04] [ 3.61538070e-04 1.31215402e-04 -2.41217311e-04] [ 3.71032151e-04 -3.55085112e-04 2.47346988e-04] [-3.61538072e-04 1.31215404e-04 2.41217313e-04] [-3.61538074e-04 -1.31215403e-04 2.41217313e-04] [ 3.71032151e-04 3.55085111e-04 2.47346987e-04] [-3.71032152e-04 3.55085112e-04 -2.47346987e-04] [ 3.61538071e-04 -1.31215403e-04 -2.41217312e-04] [ 1.30229161e-12 1.11796683e-12 7.07767178e-14] [-1.10435183e-12 -2.13454355e-12 2.43516461e-12] [ 1.83369765e-05 -1.19358541e-05 -1.15838828e-05] [ 1.83369762e-05 1.19358545e-05 -1.15838828e-05] [-1.83369749e-05 -1.19358529e-05 1.15838840e-05] [-1.83369759e-05 1.19358529e-05 1.15838843e-05] [ 7.11231501e-04 -1.68165482e-12 7.18336903e-04] [-3.83354888e-04 -9.91817739e-13 3.71589963e-04] [ 3.83354884e-04 -1.18849375e-12 -3.71589969e-04] [-7.11231500e-04 -1.22440946e-12 -7.18336902e-04] [ 1.65300058e-04 1.74376206e-04 2.05221435e-05] [-1.65300056e-04 1.74376207e-04 -2.05221426e-05] [ 1.65300054e-04 -1.74376210e-04 2.05221428e-05] [-1.65300052e-04 -1.74376211e-04 -2.05221434e-05] [ 1.83369768e-05 -1.19358238e-05 -1.15839142e-05] [ 1.83369767e-05 1.19358269e-05 -1.15839102e-05] [-1.83369760e-05 -1.19358198e-05 1.15839179e-05] [-1.83369752e-05 1.19358251e-05 1.15839112e-05] [ 7.11231471e-04 9.40132314e-13 7.18336933e-04] [-3.83354918e-04 1.09685545e-12 3.71589935e-04] [ 3.83354913e-04 9.04155941e-13 -3.71589938e-04] [-7.11231470e-04 2.41852579e-13 -7.18336932e-04] [ 1.65300086e-04 1.74376177e-04 2.05221436e-05] [-1.65300084e-04 1.74376179e-04 -2.05221422e-05] [ 1.65300086e-04 -1.74376177e-04 2.05221425e-05] [-1.65300084e-04 -1.74376179e-04 -2.05221419e-05]] Final stress: [-1.92920561e-05 -2.77267876e-05 -2.77779056e-05 6.03514807e-16 2.63041594e-05 3.10876158e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 7.20715904e-04 4.88081797e-14 -1.48544429e-05] [-7.20715900e-04 -3.73590048e-14 1.48544431e-05] [-1.02395870e-12 -7.87585104e-05 6.85562718e-14] [-2.00256478e-13 7.87585112e-05 -3.34038353e-13] [-1.41849095e-05 3.42600948e-13 -7.97182318e-05] [ 1.41849092e-05 1.03167475e-13 7.97182328e-05] [ 7.20715901e-04 -6.02260273e-13 -1.48544429e-05] [-7.20715905e-04 -3.81075420e-13 1.48544423e-05] [-4.86179677e-13 -7.87585116e-05 -3.83689155e-13] [-2.03043759e-13 7.87585101e-05 -2.45869541e-14] [-1.41849085e-05 1.09598795e-14 -7.97182318e-05] [ 1.41849084e-05 4.08294980e-13 7.97182318e-05] [-3.62210099e-04 -1.32227960e-04 -2.41875333e-04] [ 3.72961321e-04 3.56616523e-04 -2.49237789e-04] [ 3.62210098e-04 -1.32227958e-04 2.41875331e-04] [-3.72961322e-04 3.56616524e-04 2.49237791e-04] [-3.72961322e-04 -3.56616523e-04 2.49237790e-04] [ 3.62210097e-04 1.32227958e-04 2.41875330e-04] [-3.62210097e-04 1.32227958e-04 -2.41875331e-04] [ 3.72961321e-04 -3.56616521e-04 -2.49237789e-04] [-3.62210097e-04 -1.32227958e-04 -2.41875329e-04] [ 3.72961322e-04 3.56616523e-04 -2.49237791e-04] [ 3.62210098e-04 -1.32227959e-04 2.41875331e-04] [-3.72961320e-04 3.56616521e-04 2.49237789e-04] [-3.72961322e-04 -3.56616522e-04 2.49237789e-04] [ 3.62210100e-04 1.32227960e-04 2.41875333e-04] [-3.62210097e-04 1.32227958e-04 -2.41875330e-04] [ 3.72961322e-04 -3.56616523e-04 -2.49237791e-04] [-3.26923905e-12 -1.09315335e-13 -1.07421710e-12] [ 1.89333304e-12 1.18168379e-12 -2.73717724e-13] [-1.70239175e-05 -1.36013540e-05 -1.32501530e-05] [-1.70239184e-05 1.36013579e-05 -1.32501481e-05] [ 1.70239267e-05 -1.36013559e-05 1.32501523e-05] [ 1.70239266e-05 1.36013605e-05 1.32501462e-05] [-3.83046010e-04 3.10768078e-12 -3.72475998e-04] [ 7.11337714e-04 1.70641279e-12 -7.17249722e-04] [-7.11337709e-04 1.76292314e-12 7.17249731e-04] [ 3.83046017e-04 2.54313237e-12 3.72475988e-04] [ 1.65510754e-04 1.73393339e-04 -1.92085126e-05] [-1.65510746e-04 1.73393348e-04 1.92085115e-05] [ 1.65510761e-04 -1.73393333e-04 -1.92085131e-05] [-1.65510751e-04 -1.73393345e-04 1.92085128e-05] [-1.70239287e-05 -1.36013878e-05 -1.32501183e-05] [-1.70239265e-05 1.36013837e-05 -1.32501238e-05] [ 1.70239186e-05 -1.36013873e-05 1.32501187e-05] [ 1.70239185e-05 1.36013816e-05 1.32501248e-05] [-3.83045989e-04 -2.30913445e-12 -3.72476016e-04] [ 7.11337735e-04 -8.83400168e-13 -7.17249704e-04] [-7.11337742e-04 -3.01611104e-12 7.17249694e-04] [ 3.83045979e-04 -2.81099633e-12 3.72476029e-04] [ 1.65510724e-04 1.73393372e-04 -1.92085112e-05] [-1.65510730e-04 1.73393364e-04 1.92085120e-05] [ 1.65510719e-04 -1.73393377e-04 -1.92085107e-05] [-1.65510725e-04 -1.73393368e-04 1.92085111e-05]] Final stress: [-1.93099165e-05 -2.77160845e-05 -2.77671888e-05 1.90969777e-16 -2.62995387e-05 9.66692786e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.39445722e-04 6.27382555e-05 -1.38278278e-13] [ 7.39445722e-04 -6.27382546e-05 2.95194424e-13] [ 6.38966173e-05 1.05898242e-04 -1.35280676e-13] [-6.38966168e-05 -1.05898243e-04 9.44383460e-14] [ 5.76316772e-13 -7.02632397e-14 1.07288952e-04] [ 1.86337057e-13 4.46143122e-13 -1.07288954e-04] [-7.39445721e-04 6.27382547e-05 -4.24220438e-14] [ 7.39445722e-04 -6.27382550e-05 -4.39622297e-13] [ 6.38966171e-05 1.05898244e-04 -2.18421567e-13] [-6.38966173e-05 -1.05898242e-04 -2.02493980e-13] [-5.37816730e-13 -4.83707786e-13 1.07288953e-04] [ 5.03322766e-14 -2.15549543e-13 -1.07288953e-04] [ 3.86403401e-04 2.39713740e-04 1.45538350e-04] [-3.86403399e-04 -2.39713738e-04 1.45538348e-04] [-3.31792161e-04 1.89211401e-04 -2.85654487e-04] [ 3.31792160e-04 -1.89211400e-04 -2.85654485e-04] [ 3.86403400e-04 2.39713740e-04 -1.45538349e-04] [-3.86403398e-04 -2.39713738e-04 -1.45538348e-04] [ 3.31792161e-04 -1.89211401e-04 2.85654487e-04] [-3.31792161e-04 1.89211401e-04 2.85654487e-04] [ 3.86403399e-04 2.39713738e-04 1.45538347e-04] [-3.86403400e-04 -2.39713739e-04 1.45538349e-04] [-3.31792161e-04 1.89211401e-04 -2.85654486e-04] [ 3.31792161e-04 -1.89211401e-04 -2.85654487e-04] [ 3.86403398e-04 2.39713738e-04 -1.45538348e-04] [-3.86403401e-04 -2.39713740e-04 -1.45538349e-04] [ 3.31792161e-04 -1.89211401e-04 2.85654486e-04] [-3.31792160e-04 1.89211399e-04 2.85654485e-04] [ 5.13450393e-13 1.23821786e-12 1.08095477e-12] [-7.61018158e-13 -2.03732962e-12 -4.42464797e-13] [-6.02445179e-05 9.75548161e-05 9.75068573e-05] [ 6.02445193e-05 -9.75548158e-05 9.75068566e-05] [-6.02445175e-05 9.75548164e-05 -9.75068567e-05] [ 6.02445203e-05 -9.75548159e-05 -9.75068563e-05] [-1.48959150e-04 -6.23451984e-05 -1.46741285e-04] [-1.48959154e-04 -6.23451981e-05 1.46741282e-04] [ 1.48959152e-04 6.23451961e-05 -1.46741283e-04] [ 1.48959155e-04 6.23451963e-05 1.46741281e-04] [ 4.20108227e-04 4.24977676e-04 8.32167668e-13] [ 7.20786499e-04 -7.21139110e-04 -1.07364118e-12] [-7.20786501e-04 7.21139110e-04 -1.85962357e-13] [-4.20108220e-04 -4.24977682e-04 -1.20581323e-12] [-6.02445199e-05 9.75547858e-05 9.75068861e-05] [ 6.02445191e-05 -9.75547836e-05 9.75068894e-05] [-6.02445208e-05 9.75547894e-05 -9.75068830e-05] [ 6.02445177e-05 -9.75547860e-05 -9.75068877e-05] [-1.48959124e-04 -6.23451957e-05 -1.46741311e-04] [-1.48959124e-04 -6.23451953e-05 1.46741311e-04] [ 1.48959120e-04 6.23451980e-05 -1.46741315e-04] [ 1.48959122e-04 6.23451973e-05 1.46741313e-04] [ 4.20108193e-04 4.24977708e-04 8.35065917e-13] [ 7.20786530e-04 -7.21139081e-04 9.17796654e-13] [-7.20786531e-04 7.21139079e-04 3.92147984e-13] [-4.20108195e-04 -4.24977707e-04 6.85372235e-13]] Final stress: [ 1.08160319e-05 1.84537937e-05 1.85039130e-05 7.69652440e-16 -2.08761936e-16 2.59906672e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.25977289e-04 -1.26889463e-05 -2.88241653e-14] [ 7.25977291e-04 1.26889459e-05 2.89213098e-13] [-1.36624372e-05 1.18880450e-04 -2.87547763e-14] [ 1.36624360e-05 -1.18880453e-04 -4.66293670e-15] [ 1.08330012e-13 -9.63895630e-13 1.20048510e-04] [ 1.20181642e-14 -3.48290841e-13 -1.20048509e-04] [-7.25977292e-04 -1.26889457e-05 7.05176602e-13] [ 7.25977290e-04 1.26889455e-05 -1.92142038e-13] [-1.36624355e-05 1.18880453e-04 -2.00471158e-13] [ 1.36624366e-05 -1.18880450e-04 -1.93748338e-13] [-4.21613597e-14 4.62725915e-13 1.20048511e-04] [ 2.76696458e-14 3.43039643e-13 -1.20048511e-04] [ 2.89075731e-04 1.67425731e-04 2.68935840e-04] [-2.89075731e-04 -1.67425732e-04 2.68935840e-04] [-3.62083093e-04 2.36843594e-04 -1.37569984e-04] [ 3.62083091e-04 -2.36843592e-04 -1.37569980e-04] [ 2.89075731e-04 1.67425732e-04 -2.68935840e-04] [-2.89075732e-04 -1.67425734e-04 -2.68935841e-04] [ 3.62083092e-04 -2.36843592e-04 1.37569981e-04] [-3.62083092e-04 2.36843593e-04 1.37569982e-04] [ 2.89075732e-04 1.67425734e-04 2.68935840e-04] [-2.89075731e-04 -1.67425732e-04 2.68935839e-04] [-3.62083092e-04 2.36843593e-04 -1.37569980e-04] [ 3.62083093e-04 -2.36843593e-04 -1.37569982e-04] [ 2.89075731e-04 1.67425733e-04 -2.68935839e-04] [-2.89075731e-04 -1.67425731e-04 -2.68935839e-04] [ 3.62083094e-04 -2.36843593e-04 1.37569983e-04] [-3.62083091e-04 2.36843592e-04 1.37569979e-04] [-1.42444390e-12 1.28876770e-12 -2.66515976e-13] [ 2.11337593e-12 -9.73420052e-13 3.83065652e-13] [ 2.99964803e-05 5.86449080e-05 5.85782045e-05] [-2.99964737e-05 -5.86449136e-05 5.85781977e-05] [ 2.99964793e-05 5.86449115e-05 -5.85782010e-05] [-2.99964737e-05 -5.86449163e-05 -5.85781951e-05] [-1.54690148e-04 3.22812216e-05 -1.55222950e-04] [-1.54690145e-04 3.22812212e-05 1.55222951e-04] [ 1.54690151e-04 -3.22812299e-05 -1.55222943e-04] [ 1.54690150e-04 -3.22812297e-05 1.55222944e-04] [-7.46274922e-04 -7.49432931e-04 1.35408351e-12] [-4.34209077e-04 4.36420430e-04 1.28502764e-12] [ 4.34209075e-04 -4.36420428e-04 8.23230373e-13] [ 7.46274939e-04 7.49432913e-04 1.51939572e-12] [ 2.99964735e-05 5.86449614e-05 5.85781489e-05] [-2.99964804e-05 -5.86449531e-05 5.85781598e-05] [ 2.99964736e-05 5.86449595e-05 -5.85781493e-05] [-2.99964807e-05 -5.86449508e-05 -5.85781612e-05] [-1.54690195e-04 3.22812291e-05 -1.55222899e-04] [-1.54690199e-04 3.22812293e-05 1.55222895e-04] [ 1.54690188e-04 -3.22812223e-05 -1.55222909e-04] [ 1.54690191e-04 -3.22812223e-05 1.55222907e-04] [-7.46274892e-04 -7.49432960e-04 -9.21864087e-13] [-4.34209120e-04 4.36420385e-04 -7.61644626e-13] [ 4.34209122e-04 -4.36420385e-04 -4.31248628e-13] [ 7.46274880e-04 7.49432971e-04 -2.43290441e-12]] Final stress: [ 1.06126637e-05 1.85393058e-05 1.85915390e-05 5.87300146e-16 -6.94196318e-16 -2.61159155e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 7.20440416e-04 1.43998939e-05 3.24296145e-13] [-7.20440412e-04 -1.43998953e-05 -5.14047138e-13] [ 1.37318485e-05 -7.97171468e-05 -2.45220511e-14] [-1.37318489e-05 7.97171451e-05 -1.84824378e-13] [ 5.06802933e-13 2.74488765e-13 -7.87591442e-05] [ 3.53397867e-13 3.02452507e-13 7.87591446e-05] [ 7.20440412e-04 1.43998949e-05 -2.10481134e-14] [-7.20440416e-04 -1.43998936e-05 1.38311346e-13] [ 1.37318488e-05 -7.97171434e-05 4.20967294e-13] [-1.37318484e-05 7.97171469e-05 -6.02996318e-13] [ 5.52768113e-14 4.18213836e-13 -7.87591450e-05] [-1.13796735e-13 4.85140628e-14 7.87591445e-05] [-3.72576980e-04 -2.48771409e-04 -3.56252533e-04] [ 3.72576981e-04 2.48771407e-04 -3.56252532e-04] [ 3.62043811e-04 -2.41620706e-04 1.31872309e-04] [-3.62043812e-04 2.41620707e-04 1.31872311e-04] [-3.72576980e-04 -2.48771409e-04 3.56252533e-04] [ 3.72576979e-04 2.48771405e-04 3.56252530e-04] [-3.62043812e-04 2.41620706e-04 -1.31872311e-04] [ 3.62043810e-04 -2.41620705e-04 -1.31872308e-04] [-3.72576980e-04 -2.48771405e-04 -3.56252529e-04] [ 3.72576980e-04 2.48771409e-04 -3.56252533e-04] [ 3.62043811e-04 -2.41620707e-04 1.31872310e-04] [-3.62043810e-04 2.41620705e-04 1.31872308e-04] [-3.72576981e-04 -2.48771408e-04 3.56252532e-04] [ 3.72576980e-04 2.48771408e-04 3.56252532e-04] [-3.62043811e-04 2.41620707e-04 -1.31872309e-04] [ 3.62043812e-04 -2.41620707e-04 -1.31872311e-04] [-2.31224762e-12 -2.11684836e-13 -5.03992681e-13] [ 2.68720412e-12 -9.65978928e-13 8.12200688e-13] [ 1.73161678e-05 -1.28620036e-05 -1.32135525e-05] [-1.73161574e-05 1.28619944e-05 -1.32135625e-05] [ 1.73161658e-05 -1.28620022e-05 1.32135530e-05] [-1.73161573e-05 1.28619938e-05 1.32135631e-05] [ 1.65295476e-04 1.95004161e-05 1.73738222e-04] [ 1.65295477e-04 1.95004165e-05 -1.73738222e-04] [-1.65295470e-04 -1.95004239e-05 1.73738230e-04] [-1.65295471e-04 -1.95004228e-05 -1.73738230e-04] [ 7.11114855e-04 7.17587367e-04 9.92983473e-13] [ 3.83252104e-04 -3.72121861e-04 7.47568674e-13] [-3.83252099e-04 3.72121869e-04 -7.12985226e-13] [-7.11114843e-04 -7.17587380e-04 1.28730360e-13] [ 1.73161571e-05 -1.28620194e-05 -1.32135371e-05] [-1.73161663e-05 1.28620211e-05 -1.32135349e-05] [ 1.73161576e-05 -1.28620183e-05 1.32135388e-05] [-1.73161662e-05 1.28620227e-05 1.32135335e-05] [ 1.65295492e-04 1.95004229e-05 1.73738209e-04] [ 1.65295490e-04 1.95004233e-05 -1.73738210e-04] [-1.65295500e-04 -1.95004164e-05 1.73738199e-04] [-1.65295499e-04 -1.95004175e-05 -1.73738199e-04] [ 7.11114819e-04 7.17587403e-04 -5.28439803e-13] [ 3.83252126e-04 -3.72121843e-04 1.52196930e-13] [-3.83252122e-04 3.72121843e-04 1.40597539e-13] [-7.11114836e-04 -7.17587385e-04 -1.41089269e-12]] Final stress: [-1.93042120e-05 -2.77707767e-05 -2.77196725e-05 -1.17558563e-15 -6.10851735e-16 2.63007583e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 7.21669630e-04 -1.64861883e-05 -2.78235768e-13] [-7.21669632e-04 1.64861877e-05 -6.35977382e-13] [-1.58110078e-05 -7.95869218e-05 1.51170743e-13] [ 1.58110083e-05 7.95869214e-05 3.84414722e-15] [ 6.75459688e-13 -7.41323669e-13 -7.86205867e-05] [ 5.71112602e-13 -5.09189912e-13 7.86205853e-05] [ 7.21669631e-04 -1.64861879e-05 -2.85935772e-14] [-7.21669632e-04 1.64861884e-05 -2.22590094e-14] [-1.58110084e-05 -7.95869220e-05 -2.48072745e-13] [ 1.58110079e-05 7.95869218e-05 1.01398924e-14] [-1.58675531e-13 -1.84973676e-14 -7.86205850e-05] [ 1.04005292e-13 1.71976786e-13 7.86205866e-05] [-3.62805279e-04 -2.42525173e-04 -1.33199743e-04] [ 3.62805279e-04 2.42525173e-04 -1.33199743e-04] [ 3.74585737e-04 -2.50895229e-04 3.57947599e-04] [-3.74585735e-04 2.50895227e-04 3.57947597e-04] [-3.62805278e-04 -2.42525172e-04 1.33199743e-04] [ 3.62805279e-04 2.42525172e-04 1.33199743e-04] [-3.74585734e-04 2.50895227e-04 -3.57947598e-04] [ 3.74585735e-04 -2.50895228e-04 -3.57947598e-04] [-3.62805279e-04 -2.42525172e-04 -1.33199743e-04] [ 3.62805278e-04 2.42525172e-04 -1.33199742e-04] [ 3.74585735e-04 -2.50895226e-04 3.57947598e-04] [-3.74585736e-04 2.50895228e-04 3.57947598e-04] [-3.62805279e-04 -2.42525173e-04 1.33199744e-04] [ 3.62805279e-04 2.42525173e-04 1.33199743e-04] [-3.74585736e-04 2.50895229e-04 -3.57947599e-04] [ 3.74585734e-04 -2.50895226e-04 -3.57947597e-04] [ 1.94497890e-12 -7.12187254e-13 3.57394669e-13] [-6.82642205e-13 5.71452714e-13 -7.47814656e-13] [-1.59094495e-05 -1.46973247e-05 -1.50479042e-05] [ 1.59094507e-05 1.46973231e-05 -1.50479056e-05] [-1.59094504e-05 -1.46973274e-05 1.50479021e-05] [ 1.59094509e-05 1.46973266e-05 1.50479027e-05] [ 1.65812880e-04 -1.80938978e-05 1.72463760e-04] [ 1.65812878e-04 -1.80938992e-05 -1.72463761e-04] [-1.65812881e-04 1.80938968e-05 1.72463759e-04] [-1.65812880e-04 1.80938963e-05 -1.72463759e-04] [-3.82683543e-04 -3.73346398e-04 -1.20281562e-12] [-7.11574103e-04 7.16254075e-04 -3.35120820e-13] [ 7.11574104e-04 -7.16254074e-04 -1.22812871e-12] [ 3.82683549e-04 3.73346393e-04 1.28785871e-13] [-1.59094507e-05 -1.46973383e-05 -1.50478905e-05] [ 1.59094504e-05 1.46973414e-05 -1.50478868e-05] [-1.59094503e-05 -1.46973391e-05 1.50478901e-05] [ 1.59094506e-05 1.46973406e-05 1.50478881e-05] [ 1.65812891e-04 -1.80938969e-05 1.72463747e-04] [ 1.65812893e-04 -1.80938961e-05 -1.72463746e-04] [-1.65812893e-04 1.80938981e-05 1.72463745e-04] [-1.65812898e-04 1.80938981e-05 -1.72463743e-04] [-3.82683560e-04 -3.73346382e-04 8.49420869e-13] [-7.11574088e-04 7.16254090e-04 2.34133678e-12] [ 7.11574090e-04 -7.16254087e-04 8.31345123e-13] [ 3.82683560e-04 3.73346382e-04 9.36112112e-13]] Final stress: [-1.93264990e-05 -2.77570867e-05 -2.77059909e-05 1.89921645e-16 -3.43787524e-17 -2.62954428e-05] Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.08333332e-04 -6.98469060e-14 -6.76195211e-13] [-1.08333334e-04 -3.69052011e-13 1.62925229e-14] [ 2.58848498e-13 -7.50722442e-04 7.96313145e-05] [ 3.75449671e-13 7.50722440e-04 -7.96313147e-05] [-1.45716772e-13 8.08498582e-05 1.06879982e-04] [-1.15990550e-13 -8.08498584e-05 -1.06879982e-04] [ 1.08333333e-04 5.82916014e-13 4.08341439e-13] [-1.08333332e-04 4.56621191e-13 4.14407088e-13] [-3.28792723e-13 -7.50722441e-04 7.96313159e-05] [-1.55604547e-13 7.50722442e-04 -7.96313146e-05] [-1.35178723e-13 8.08498573e-05 1.06879982e-04] [ 6.04822385e-14 -8.08498575e-05 -1.06879982e-04] [ 1.56414745e-04 4.03712226e-04 2.48910228e-04] [-2.84010192e-04 -3.39747628e-04 1.89224899e-04] [-2.84010193e-04 3.39747628e-04 -1.89224900e-04] [ 1.56414746e-04 -4.03712227e-04 -2.48910231e-04] [ 2.84010194e-04 3.39747629e-04 -1.89224901e-04] [-1.56414744e-04 -4.03712226e-04 -2.48910229e-04] [ 2.84010193e-04 -3.39747629e-04 1.89224899e-04] [-1.56414745e-04 4.03712225e-04 2.48910227e-04] [ 1.56414744e-04 4.03712227e-04 2.48910226e-04] [-2.84010194e-04 -3.39747629e-04 1.89224902e-04] [-2.84010193e-04 3.39747628e-04 -1.89224899e-04] [ 1.56414745e-04 -4.03712226e-04 -2.48910227e-04] [ 2.84010193e-04 3.39747628e-04 -1.89224899e-04] [-1.56414745e-04 -4.03712226e-04 -2.48910228e-04] [ 2.84010194e-04 -3.39747627e-04 1.89224899e-04] [-1.56414746e-04 4.03712229e-04 2.48910230e-04] [ 1.64099290e-12 9.74054171e-13 -7.49823814e-13] [-1.23995015e-12 3.16155021e-13 1.05767366e-12] [-8.18511925e-13 4.09268957e-04 4.20287924e-04] [-4.72732964e-13 7.13192799e-04 -7.07347465e-04] [-3.65207864e-13 -7.13192807e-04 7.07347457e-04] [-8.47877324e-13 -4.09268957e-04 -4.20287924e-04] [ 1.12054130e-04 -5.83980844e-05 1.12095245e-04] [ 1.12054126e-04 5.83980784e-05 -1.12095248e-04] [-1.12054131e-04 -5.83980828e-05 1.12095243e-04] [-1.12054126e-04 5.83980786e-05 -1.12095247e-04] [-1.42175678e-04 -1.50573989e-04 -6.04246046e-05] [ 1.42175679e-04 -1.50573988e-04 -6.04246044e-05] [-1.42175685e-04 1.50573983e-04 6.04246021e-05] [ 1.42175684e-04 1.50573983e-04 6.04246015e-05] [ 8.46545290e-13 4.09268969e-04 4.20287911e-04] [ 3.20626125e-13 7.13192793e-04 -7.07347471e-04] [ 1.22750309e-13 -7.13192784e-04 7.07347481e-04] [ 7.44049709e-13 -4.09268967e-04 -4.20287914e-04] [ 1.12054114e-04 -5.83980774e-05 1.12095259e-04] [ 1.12054118e-04 5.83980810e-05 -1.12095256e-04] [-1.12054114e-04 -5.83980765e-05 1.12095260e-04] [-1.12054118e-04 5.83980825e-05 -1.12095256e-04] [-1.42175670e-04 -1.50573998e-04 -6.04246024e-05] [ 1.42175672e-04 -1.50573995e-04 -6.04246032e-05] [-1.42175666e-04 1.50574000e-04 6.04246069e-05] [ 1.42175666e-04 1.50573999e-04 6.04246071e-05]] Final stress: [ 1.84828105e-05 1.08461171e-05 1.84330085e-05 2.59473323e-05 1.08531055e-15 -9.93505600e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.71337668e-03 1.31425565e-11 3.01124403e-12] [-4.71337668e-03 5.97338845e-12 -2.48559506e-12] [-5.58929292e-12 -1.74563989e-02 6.15945173e-03] [-7.27701233e-12 1.74563990e-02 -6.15945173e-03] [-5.36036493e-12 5.78233560e-03 4.50234688e-03] [ 1.97786232e-12 -5.78233559e-03 -4.50234695e-03] [ 4.71337669e-03 -4.21090286e-12 -7.49315445e-12] [-4.71337669e-03 -3.32277327e-12 -4.84595343e-12] [-6.32076670e-12 -1.74563990e-02 6.15945175e-03] [-4.76563480e-12 1.74563989e-02 -6.15945175e-03] [ 3.69020243e-12 5.78233558e-03 4.50234696e-03] [ 5.76264655e-12 -5.78233559e-03 -4.50234689e-03] [ 5.54439930e-03 2.27994460e-03 -3.20866839e-06] [-3.50195786e-03 -8.32467408e-03 6.83508101e-03] [-3.50195781e-03 8.32467407e-03 -6.83508097e-03] [ 5.54439930e-03 -2.27994456e-03 3.20864847e-06] [ 3.50195780e-03 8.32467406e-03 -6.83508098e-03] [-5.54439931e-03 -2.27994456e-03 3.20866062e-06] [ 3.50195787e-03 -8.32467409e-03 6.83508102e-03] [-5.54439932e-03 2.27994462e-03 -3.20864641e-06] [ 5.54439930e-03 2.27994458e-03 -3.20865977e-06] [-3.50195781e-03 -8.32467406e-03 6.83508099e-03] [-3.50195786e-03 8.32467408e-03 -6.83508102e-03] [ 5.54439933e-03 -2.27994461e-03 3.20866164e-06] [ 3.50195786e-03 8.32467408e-03 -6.83508101e-03] [-5.54439930e-03 -2.27994460e-03 3.20866925e-06] [ 3.50195782e-03 -8.32467407e-03 6.83508099e-03] [-5.54439930e-03 2.27994457e-03 -3.20866155e-06] [-6.81106560e-12 -1.73755454e-11 4.10389014e-11] [ 6.96352839e-13 3.07920690e-11 -5.77279393e-11] [ 1.45322643e-12 -2.50049379e-02 -2.43665217e-02] [-1.06286646e-11 -1.25054043e-02 1.34046785e-02] [-1.16342491e-11 1.25054044e-02 -1.34046784e-02] [-1.18867693e-11 2.50049383e-02 2.43665214e-02] [-3.72543668e-03 -2.59435189e-03 -3.21731299e-03] [-3.72543677e-03 2.59435208e-03 3.21731293e-03] [ 3.72543666e-03 -2.59435188e-03 -3.21731303e-03] [ 3.72543676e-03 2.59435210e-03 3.21731295e-03] [-4.93301197e-03 -5.20481221e-03 -3.15151539e-03] [ 4.93301198e-03 -5.20481220e-03 -3.15151537e-03] [-4.93301171e-03 5.20481241e-03 3.15151525e-03] [ 4.93301170e-03 5.20481241e-03 3.15151526e-03] [-1.09882345e-12 -2.50049377e-02 -2.43665219e-02] [ 3.18259276e-12 -1.25054049e-02 1.34046778e-02] [ 5.47806537e-12 1.25054048e-02 -1.34046780e-02] [ 1.73736282e-11 2.50049374e-02 2.43665222e-02] [-3.72543731e-03 -2.59435210e-03 -3.21731241e-03] [-3.72543716e-03 2.59435186e-03 3.21731252e-03] [ 3.72543733e-03 -2.59435208e-03 -3.21731239e-03] [ 3.72543714e-03 2.59435187e-03 3.21731252e-03] [-4.93301118e-03 -5.20481294e-03 -3.15151528e-03] [ 4.93301122e-03 -5.20481291e-03 -3.15151527e-03] [-4.93301142e-03 5.20481273e-03 3.15151541e-03] [ 4.93301143e-03 5.20481274e-03 3.15151539e-03]] Final stress: [ 8.99623152e-05 -1.35685098e-04 2.94337969e-05 -3.51220159e-05 -2.81702854e-16 1.40573706e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.88688566e-05 1.75512382e-13 5.43523559e-13] [ 7.88688571e-05 2.22821761e-13 -1.57096558e-13] [-4.84848273e-13 7.20750335e-04 1.47645895e-05] [-5.14421838e-13 -7.20750335e-04 -1.47645893e-05] [-2.65926170e-13 1.40953508e-05 -7.98280480e-05] [ 1.67241221e-13 -1.40953510e-05 7.98280452e-05] [-7.88688568e-05 -1.57644360e-13 -4.08632294e-13] [ 7.88688558e-05 4.52152218e-14 2.28001429e-13] [-4.12710469e-15 7.20750334e-04 1.47645893e-05] [ 3.20448719e-13 -7.20750334e-04 -1.47645887e-05] [ 5.61688682e-13 1.40953515e-05 -7.98280465e-05] [ 4.91727508e-13 -1.40953517e-05 7.98280467e-05] [-3.56545984e-04 -3.72777331e-04 -2.49171764e-04] [ 1.32346630e-04 3.62206950e-04 -2.41989790e-04] [ 1.32346630e-04 -3.62206951e-04 2.41989791e-04] [-3.56545986e-04 3.72777332e-04 2.49171764e-04] [-1.32346632e-04 -3.62206952e-04 2.41989792e-04] [ 3.56545983e-04 3.72777330e-04 2.49171764e-04] [-1.32346632e-04 3.62206951e-04 -2.41989791e-04] [ 3.56545984e-04 -3.72777330e-04 -2.49171763e-04] [-3.56545984e-04 -3.72777331e-04 -2.49171763e-04] [ 1.32346632e-04 3.62206952e-04 -2.41989793e-04] [ 1.32346631e-04 -3.62206950e-04 2.41989792e-04] [-3.56545984e-04 3.72777330e-04 2.49171763e-04] [-1.32346629e-04 -3.62206950e-04 2.41989791e-04] [ 3.56545984e-04 3.72777330e-04 2.49171763e-04] [-1.32346631e-04 3.62206950e-04 -2.41989791e-04] [ 3.56545986e-04 -3.72777332e-04 -2.49171765e-04] [-1.07176767e-12 2.79047618e-13 2.13665891e-12] [ 1.88978213e-12 3.15939435e-13 2.89501498e-13] [ 1.55442326e-12 7.11612495e-04 7.17256454e-04] [ 9.87321336e-13 3.82914956e-04 -3.72611862e-04] [ 5.63271652e-13 -3.82914958e-04 3.72611859e-04] [-9.14157638e-13 -7.11612496e-04 -7.17256452e-04] [-1.35114949e-05 1.71563811e-05 -1.31602518e-05] [-1.35114972e-05 -1.71563819e-05 1.31602499e-05] [ 1.35114930e-05 1.71563818e-05 -1.31602534e-05] [ 1.35114968e-05 -1.71563822e-05 1.31602494e-05] [ 1.73328803e-04 1.65713697e-04 1.93417159e-05] [-1.73328803e-04 1.65713697e-04 1.93417171e-05] [ 1.73328803e-04 -1.65713697e-04 -1.93417190e-05] [-1.73328801e-04 -1.65713699e-04 -1.93417190e-05] [-4.83967104e-13 7.11612510e-04 7.17256439e-04] [-5.04232897e-13 3.82914947e-04 -3.72611869e-04] [-1.73388784e-13 -3.82914943e-04 3.72611872e-04] [ 1.12153810e-12 -7.11612513e-04 -7.17256437e-04] [-1.35115096e-05 1.71563820e-05 -1.31602371e-05] [-1.35115091e-05 -1.71563789e-05 1.31602369e-05] [ 1.35115093e-05 1.71563803e-05 -1.31602384e-05] [ 1.35115071e-05 -1.71563795e-05 1.31602401e-05] [ 1.73328816e-04 1.65713684e-04 1.93417213e-05] [-1.73328814e-04 1.65713685e-04 1.93417196e-05] [ 1.73328817e-04 -1.65713684e-04 -1.93417180e-05] [-1.73328817e-04 -1.65713683e-04 -1.93417189e-05]] Final stress: [-2.77152509e-05 -1.93107264e-05 -2.77663670e-05 2.62996667e-05 -3.52172586e-17 6.95960110e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.88941114e-05 -8.75688411e-14 -1.63979941e-13] [ 7.88941110e-05 -5.36945488e-13 -1.52169943e-13] [ 7.91380850e-13 7.20731487e-04 -1.47350399e-05] [ 3.19327897e-14 -7.20731487e-04 1.47350394e-05] [ 9.63951141e-14 -1.40659717e-05 -7.98530914e-05] [ 9.92678162e-14 1.40659710e-05 7.98530881e-05] [-7.88941121e-05 6.44962717e-13 -5.45441282e-13] [ 7.88941110e-05 -9.60488877e-14 2.46295402e-13] [-1.44998113e-13 7.20731486e-04 -1.47350394e-05] [ 1.81620127e-14 -7.20731487e-04 1.47350402e-05] [ 7.37599074e-14 -1.40659717e-05 -7.98530884e-05] [-1.97548764e-13 1.40659723e-05 7.98530908e-05] [-1.32378904e-04 -3.62195167e-04 -2.42020358e-04] [ 3.56511067e-04 3.72701441e-04 -2.49138494e-04] [ 3.56511068e-04 -3.72701444e-04 2.49138495e-04] [-1.32378905e-04 3.62195169e-04 2.42020358e-04] [-3.56511067e-04 -3.72701441e-04 2.49138493e-04] [ 1.32378903e-04 3.62195166e-04 2.42020356e-04] [-3.56511065e-04 3.72701440e-04 -2.49138493e-04] [ 1.32378905e-04 -3.62195168e-04 -2.42020358e-04] [-1.32378902e-04 -3.62195166e-04 -2.42020356e-04] [ 3.56511066e-04 3.72701442e-04 -2.49138493e-04] [ 3.56511066e-04 -3.72701440e-04 2.49138493e-04] [-1.32378905e-04 3.62195168e-04 2.42020359e-04] [-3.56511066e-04 -3.72701441e-04 2.49138494e-04] [ 1.32378903e-04 3.62195167e-04 2.42020357e-04] [-3.56511069e-04 3.72701444e-04 -2.49138496e-04] [ 1.32378905e-04 -3.62195168e-04 -2.42020358e-04] [ 9.39213984e-13 -8.19538881e-13 1.42914153e-12] [ 9.81546368e-13 9.10500378e-13 -9.69403098e-13] [-6.87949697e-13 -3.82853704e-04 -3.72656093e-04] [ 4.22994972e-14 -7.11690719e-04 7.17228925e-04] [-2.23998597e-12 7.11690714e-04 -7.17228928e-04] [-2.67230682e-13 3.82853710e-04 3.72656087e-04] [-1.34769337e-05 -1.71912210e-05 -1.31258100e-05] [-1.34769380e-05 1.71912228e-05 1.31258061e-05] [ 1.34769333e-05 -1.71912230e-05 -1.31258100e-05] [ 1.34769400e-05 1.71912220e-05 1.31258049e-05] [ 1.73292869e-04 1.65783383e-04 -1.93767569e-05] [-1.73292871e-04 1.65783381e-04 -1.93767576e-05] [ 1.73292865e-04 -1.65783387e-04 1.93767519e-05] [-1.73292868e-04 -1.65783383e-04 1.93767518e-05] [ 7.33774522e-13 -3.82853655e-04 -3.72656143e-04] [-4.50846412e-14 -7.11690766e-04 7.17228876e-04] [ 1.13166797e-12 7.11690775e-04 -7.17228870e-04] [-1.61557229e-13 3.82853651e-04 3.72656145e-04] [-1.34769915e-05 -1.71912222e-05 -1.31257538e-05] [-1.34769866e-05 1.71912223e-05 1.31257577e-05] [ 1.34769945e-05 -1.71912212e-05 -1.31257498e-05] [ 1.34769889e-05 1.71912233e-05 1.31257545e-05] [ 1.73292922e-04 1.65783329e-04 -1.93767520e-05] [-1.73292924e-04 1.65783328e-04 -1.93767525e-05] [ 1.73292922e-04 -1.65783328e-04 1.93767590e-05] [-1.73292921e-04 -1.65783330e-04 1.93767562e-05]] Final stress: [-2.77149764e-05 -1.93110779e-05 -2.77660927e-05 -2.62996962e-05 -2.05014755e-16 -1.93370001e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.16529129e-04 2.33243980e-13 7.28702259e-05] [-1.16529127e-04 -4.60617655e-13 -7.28702256e-05] [ 1.18377530e-14 -7.48213427e-04 7.92144128e-14] [ 7.85121967e-13 7.48213429e-04 2.04281037e-14] [ 7.28702254e-05 3.67539332e-13 1.16529128e-04] [-7.28702255e-05 2.39669395e-14 -1.16529129e-04] [ 1.16529128e-04 1.09424784e-13 7.28702254e-05] [-1.16529129e-04 1.68284765e-13 -7.28702252e-05] [-2.13752892e-13 -7.48213428e-04 4.22055933e-14] [-2.21032109e-13 7.48213426e-04 -3.47293774e-13] [ 7.28702260e-05 -8.42051864e-14 1.16529128e-04] [-7.28702260e-05 3.30745495e-13 -1.16529128e-04] [ 2.52665726e-04 2.91537445e-04 2.52665726e-04] [-1.98310190e-04 -4.19277479e-04 1.98310190e-04] [-2.52665726e-04 2.91537445e-04 -2.52665725e-04] [ 1.98310189e-04 -4.19277478e-04 -1.98310190e-04] [ 1.98310190e-04 4.19277478e-04 -1.98310189e-04] [-2.52665727e-04 -2.91537446e-04 -2.52665726e-04] [ 2.52665727e-04 -2.91537445e-04 2.52665726e-04] [-1.98310189e-04 4.19277478e-04 1.98310190e-04] [ 2.52665726e-04 2.91537445e-04 2.52665727e-04] [-1.98310190e-04 -4.19277478e-04 1.98310190e-04] [-2.52665727e-04 2.91537445e-04 -2.52665726e-04] [ 1.98310190e-04 -4.19277479e-04 -1.98310189e-04] [ 1.98310190e-04 4.19277479e-04 -1.98310190e-04] [-2.52665726e-04 -2.91537445e-04 -2.52665725e-04] [ 2.52665725e-04 -2.91537444e-04 2.52665726e-04] [-1.98310190e-04 4.19277477e-04 1.98310190e-04] [-5.61786728e-13 -1.28300148e-12 1.43707268e-12] [ 1.99055165e-13 1.34805245e-12 3.93400027e-13] [-5.90178108e-05 -1.55668047e-04 -1.45200380e-04] [-5.90178119e-05 1.55668049e-04 -1.45200378e-04] [ 5.90178181e-05 -1.55668050e-04 1.45200378e-04] [ 5.90178170e-05 1.55668048e-04 1.45200378e-04] [ 6.78113727e-04 6.49535981e-13 6.78113744e-04] [-4.69896642e-04 3.99458244e-13 4.69896620e-04] [ 4.69896642e-04 8.90731933e-13 -4.69896620e-04] [-6.78113720e-04 1.00575104e-12 -6.78113750e-04] [-1.45200350e-04 -1.55668078e-04 -5.90178175e-05] [ 1.45200355e-04 -1.55668072e-04 5.90178140e-05] [-1.45200349e-04 1.55668080e-04 -5.90178172e-05] [ 1.45200354e-04 1.55668073e-04 5.90178141e-05] [-5.90178176e-05 -1.55668076e-04 -1.45200351e-04] [-5.90178173e-05 1.55668077e-04 -1.45200352e-04] [ 5.90178131e-05 -1.55668073e-04 1.45200354e-04] [ 5.90178136e-05 1.55668071e-04 1.45200356e-04] [ 6.78113746e-04 3.54216304e-13 6.78113726e-04] [-4.69896619e-04 -5.60258766e-13 4.69896641e-04] [ 4.69896616e-04 -5.79448494e-13 -4.69896647e-04] [-6.78113755e-04 -1.52710601e-12 -6.78113717e-04] [-1.45200379e-04 -1.55668048e-04 -5.90178143e-05] [ 1.45200375e-04 -1.55668053e-04 5.90178147e-05] [-1.45200380e-04 1.55668047e-04 -5.90178129e-05] [ 1.45200376e-04 1.55668053e-04 5.90178156e-05]] Final stress: [ 1.82262882e-05 1.12306429e-05 1.82262882e-05 -1.55733051e-16 2.59521497e-05 -3.88808626e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.19296762e-04 5.03486142e-14 -1.90335508e-05] [-1.19296760e-04 6.35574926e-13 1.90335496e-05] [-2.13162821e-13 -7.18636770e-04 -3.57713859e-13] [-9.16308696e-13 7.18636771e-04 -4.49681958e-13] [-1.90335506e-05 -1.31686329e-13 1.19296762e-04] [ 1.90335501e-05 9.90318938e-14 -1.19296760e-04] [ 1.19296760e-04 -1.60932260e-13 -1.90335494e-05] [-1.19296762e-04 -6.13189187e-13 1.90335506e-05] [ 1.28185519e-14 -7.18636769e-04 1.03701109e-12] [ 4.62720140e-13 7.18636772e-04 9.22260647e-13] [-1.90335498e-05 -2.54849122e-13 1.19296761e-04] [ 1.90335506e-05 9.14796938e-15 -1.19296761e-04] [ 1.63484488e-04 3.89689689e-04 1.63484488e-04] [-2.37477935e-04 -2.60538839e-04 2.37477934e-04] [-1.63484492e-04 3.89689691e-04 -1.63484492e-04] [ 2.37477935e-04 -2.60538838e-04 -2.37477935e-04] [ 2.37477936e-04 2.60538840e-04 -2.37477936e-04] [-1.63484491e-04 -3.89689692e-04 -1.63484492e-04] [ 1.63484488e-04 -3.89689688e-04 1.63484487e-04] [-2.37477936e-04 2.60538839e-04 2.37477936e-04] [ 1.63484492e-04 3.89689691e-04 1.63484493e-04] [-2.37477936e-04 -2.60538840e-04 2.37477935e-04] [-1.63484488e-04 3.89689687e-04 -1.63484488e-04] [ 2.37477935e-04 -2.60538840e-04 -2.37477935e-04] [ 2.37477936e-04 2.60538839e-04 -2.37477935e-04] [-1.63484489e-04 -3.89689689e-04 -1.63484488e-04] [ 1.63484491e-04 -3.89689691e-04 1.63484492e-04] [-2.37477934e-04 2.60538838e-04 2.37477935e-04] [-2.26776931e-12 3.56506491e-13 -1.87588139e-12] [ 1.98012896e-12 -2.43052916e-12 1.93508922e-12] [ 2.82321546e-05 -1.52445623e-04 -1.52112449e-04] [ 2.82321553e-05 1.52445620e-04 -1.52112452e-04] [-2.82321538e-05 -1.52445628e-04 1.52112443e-04] [-2.82321531e-05 1.52445626e-04 1.52112446e-04] [-5.22994951e-04 -2.74391621e-13 -5.22994951e-04] [ 6.43095138e-04 1.29618538e-13 -6.43095147e-04] [-6.43095145e-04 -1.41997525e-12 6.43095142e-04] [ 5.22994954e-04 -1.01141318e-12 5.22994948e-04] [-1.52112443e-04 -1.52445629e-04 2.82321509e-05] [ 1.52112448e-04 -1.52445623e-04 -2.82321550e-05] [-1.52112447e-04 1.52445626e-04 2.82321508e-05] [ 1.52112447e-04 1.52445625e-04 -2.82321557e-05] [ 2.82321542e-05 -1.52445628e-04 -1.52112444e-04] [ 2.82321519e-05 1.52445628e-04 -1.52112444e-04] [-2.82321535e-05 -1.52445623e-04 1.52112449e-04] [-2.82321555e-05 1.52445625e-04 1.52112446e-04] [-5.22994954e-04 2.26717177e-14 -5.22994947e-04] [ 6.43095145e-04 -1.43934449e-13 -6.43095141e-04] [-6.43095141e-04 1.83824572e-12 6.43095144e-04] [ 5.22994945e-04 1.99324420e-12 5.22994958e-04] [-1.52112449e-04 -1.52445623e-04 2.82321557e-05] [ 1.52112450e-04 -1.52445623e-04 -2.82321518e-05] [-1.52112446e-04 1.52445626e-04 2.82321556e-05] [ 1.52112448e-04 1.52445624e-04 -2.82321523e-05]] Final stress: [ 1.85265488e-05 1.06929942e-05 1.85265488e-05 6.28801013e-19 -2.60933770e-05 -5.00735207e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.15187213e-04 -5.01168551e-13 1.11714788e-04] [ 1.15187211e-04 -7.83428877e-13 -1.11714789e-04] [-2.23043806e-13 7.44770677e-04 -9.17141363e-13] [ 1.65423231e-13 -7.44770676e-04 -1.29755928e-12] [ 1.11714790e-04 -8.18956014e-13 -1.15187209e-04] [-1.11714789e-04 -7.88966115e-13 1.15187211e-04] [-1.15187209e-04 4.74113582e-13 1.11714789e-04] [ 1.15187211e-04 6.45928623e-14 -1.11714788e-04] [ 2.86952378e-13 7.44770676e-04 1.17150511e-12] [-2.48430671e-13 -7.44770676e-04 7.41623268e-13] [ 1.11714788e-04 8.51133352e-13 -1.15187212e-04] [-1.11714788e-04 3.10484684e-13 1.15187210e-04] [-3.20277521e-04 -4.45725752e-04 -3.20277519e-04] [ 3.24597825e-04 2.84990776e-04 -3.24597826e-04] [ 3.20277519e-04 -4.45725752e-04 3.20277519e-04] [-3.24597822e-04 2.84990772e-04 3.24597822e-04] [-3.24597822e-04 -2.84990773e-04 3.24597822e-04] [ 3.20277516e-04 4.45725748e-04 3.20277515e-04] [-3.20277519e-04 4.45725750e-04 -3.20277518e-04] [ 3.24597824e-04 -2.84990775e-04 -3.24597825e-04] [-3.20277515e-04 -4.45725748e-04 -3.20277516e-04] [ 3.24597822e-04 2.84990773e-04 -3.24597821e-04] [ 3.20277518e-04 -4.45725749e-04 3.20277518e-04] [-3.24597825e-04 2.84990776e-04 3.24597824e-04] [-3.24597826e-04 -2.84990776e-04 3.24597824e-04] [ 3.20277520e-04 4.45725752e-04 3.20277520e-04] [-3.20277519e-04 4.45725752e-04 -3.20277519e-04] [ 3.24597822e-04 -2.84990773e-04 -3.24597821e-04] [ 1.21914978e-12 -2.25286456e-12 -3.12749132e-12] [-3.66329063e-13 7.91924781e-13 2.33689971e-12] [-2.03194195e-05 2.80626122e-04 4.56919561e-05] [-2.03194195e-05 -2.80626124e-04 4.56919562e-05] [ 2.03194144e-05 2.80626124e-04 -4.56919553e-05] [ 2.03194148e-05 -2.80626125e-04 -4.56919555e-05] [ 4.85139287e-04 6.42319531e-13 4.85139286e-04] [-6.29375454e-04 -4.39759340e-13 6.29375454e-04] [ 6.29375450e-04 2.24820162e-13 -6.29375461e-04] [-4.85139296e-04 -2.74613665e-13 -4.85139278e-04] [ 4.56919439e-05 2.80626137e-04 -2.03194140e-05] [-4.56919446e-05 2.80626135e-04 2.03194164e-05] [ 4.56919416e-05 -2.80626140e-04 -2.03194143e-05] [-4.56919451e-05 -2.80626135e-04 2.03194171e-05] [-2.03194126e-05 2.80626137e-04 4.56919445e-05] [-2.03194133e-05 -2.80626136e-04 4.56919451e-05] [ 2.03194186e-05 2.80626135e-04 -4.56919468e-05] [ 2.03194171e-05 -2.80626134e-04 -4.56919451e-05] [ 4.85139282e-04 -2.14459245e-13 4.85139292e-04] [-6.29375461e-04 3.31120191e-13 6.29375449e-04] [ 6.29375459e-04 1.21285768e-12 -6.29375448e-04] [-4.85139277e-04 1.91132993e-13 -4.85139296e-04] [ 4.56919576e-05 2.80626122e-04 -2.03194179e-05] [-4.56919507e-05 2.80626130e-04 2.03194175e-05] [ 4.56919578e-05 -2.80626121e-04 -2.03194187e-05] [-4.56919507e-05 -2.80626129e-04 2.03194172e-05]] Final stress: [-2.65389354e-05 -2.11543122e-05 -2.65389354e-05 -7.52768903e-16 2.60022781e-05 -5.11279129e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-4.15915561e-04 -3.64486219e-13 3.39428348e-04] [ 4.15915566e-04 -8.82446893e-13 -3.39428348e-04] [ 9.56082435e-13 2.01707074e-03 7.09557413e-13] [ 1.37587164e-12 -2.01707074e-03 4.69208006e-13] [ 3.39428349e-04 3.85191878e-13 -4.15915560e-04] [-3.39428347e-04 -8.15417178e-13 4.15915564e-04] [-4.15915561e-04 1.49579523e-13 3.39428346e-04] [ 4.15915561e-04 1.42302514e-12 -3.39428348e-04] [-6.50977564e-13 2.01707074e-03 7.68841586e-13] [-1.63494760e-13 -2.01707074e-03 5.94773295e-13] [ 3.39428349e-04 1.61603394e-13 -4.15915562e-04] [-3.39428348e-04 4.24540828e-13 4.15915561e-04] [-6.76972190e-04 -5.82405021e-04 -6.76972192e-04] [ 2.22717920e-04 9.63042080e-04 -2.22717920e-04] [ 6.76972190e-04 -5.82405021e-04 6.76972191e-04] [-2.22717917e-04 9.63042076e-04 2.22717916e-04] [-2.22717920e-04 -9.63042082e-04 2.22717921e-04] [ 6.76972187e-04 5.82405018e-04 6.76972188e-04] [-6.76972189e-04 5.82405019e-04 -6.76972190e-04] [ 2.22717921e-04 -9.63042080e-04 -2.22717919e-04] [-6.76972189e-04 -5.82405015e-04 -6.76972188e-04] [ 2.22717919e-04 9.63042080e-04 -2.22717921e-04] [ 6.76972189e-04 -5.82405019e-04 6.76972189e-04] [-2.22717921e-04 9.63042079e-04 2.22717919e-04] [-2.22717921e-04 -9.63042080e-04 2.22717919e-04] [ 6.76972189e-04 5.82405020e-04 6.76972190e-04] [-6.76972191e-04 5.82405018e-04 -6.76972191e-04] [ 2.22717915e-04 -9.63042076e-04 -2.22717917e-04] [-1.15536053e-12 -8.84861628e-13 -1.41633233e-12] [-1.23842557e-12 4.24501748e-12 6.42117016e-13] [-5.46075386e-04 4.96520106e-04 7.02996561e-04] [-5.46075383e-04 -4.96520110e-04 7.02996558e-04] [ 5.46075391e-04 4.96520116e-04 -7.02996553e-04] [ 5.46075393e-04 -4.96520117e-04 -7.02996551e-04] [-1.40378619e-03 -1.33948408e-13 -1.40378621e-03] [ 1.92910993e-03 -5.03042052e-13 -1.92910988e-03] [-1.92910992e-03 -3.07215364e-12 1.92910989e-03] [ 1.40378618e-03 -3.50125484e-12 1.40378621e-03] [ 7.02996542e-04 4.96520124e-04 -5.46075383e-04] [-7.02996526e-04 4.96520143e-04 5.46075392e-04] [ 7.02996535e-04 -4.96520131e-04 -5.46075386e-04] [-7.02996519e-04 -4.96520150e-04 5.46075391e-04] [-5.46075396e-04 4.96520147e-04 7.02996522e-04] [-5.46075396e-04 -4.96520141e-04 7.02996529e-04] [ 5.46075387e-04 4.96520141e-04 -7.02996528e-04] [ 5.46075385e-04 -4.96520132e-04 -7.02996535e-04] [-1.40378621e-03 1.81356242e-12 -1.40378618e-03] [ 1.92910988e-03 1.78542280e-12 -1.92910993e-03] [-1.92910991e-03 2.28113214e-12 1.92910990e-03] [ 1.40378621e-03 1.86354451e-12 1.40378619e-03] [ 7.02996556e-04 4.96520114e-04 -5.46075390e-04] [-7.02996559e-04 4.96520108e-04 5.46075383e-04] [ 7.02996562e-04 -4.96520108e-04 -5.46075392e-04] [-7.02996557e-04 -4.96520111e-04 5.46075382e-04]] Final stress: [-3.18449202e-05 -9.34729176e-06 -3.18449202e-05 -1.64892236e-15 -2.71709830e-05 1.53079780e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.04291940e-04 6.60737778e-05 -2.83037482e-13] [-1.04291940e-04 -6.60737780e-05 -4.63670768e-13] [ 6.49059508e-05 -7.39558029e-04 -2.64302469e-13] [-6.49059496e-05 7.39558031e-04 2.18228213e-13] [ 7.27931604e-13 -2.28969621e-13 1.05696188e-04] [ 5.70640757e-13 -7.05463465e-13 -1.05696191e-04] [ 1.04291940e-04 6.60737784e-05 -3.66473052e-13] [-1.04291941e-04 -6.60737766e-05 1.49883334e-13] [ 6.49059496e-05 -7.39558032e-04 5.88476623e-13] [-6.49059512e-05 7.39558028e-04 2.26103688e-13] [-4.65342501e-13 -1.81010922e-13 1.05696191e-04] [-4.12820135e-13 4.28736243e-13 -1.05696188e-04] [ 2.39013106e-04 3.87301737e-04 1.44816533e-04] [-2.39013106e-04 -3.87301739e-04 1.44816534e-04] [-1.90671531e-04 3.34828373e-04 -2.87137513e-04] [ 1.90671535e-04 -3.34828376e-04 -2.87137517e-04] [ 2.39013105e-04 3.87301736e-04 -1.44816533e-04] [-2.39013105e-04 -3.87301737e-04 -1.44816535e-04] [ 1.90671537e-04 -3.34828377e-04 2.87137516e-04] [-1.90671533e-04 3.34828375e-04 2.87137513e-04] [ 2.39013105e-04 3.87301738e-04 1.44816534e-04] [-2.39013105e-04 -3.87301736e-04 1.44816533e-04] [-1.90671537e-04 3.34828376e-04 -2.87137516e-04] [ 1.90671533e-04 -3.34828374e-04 -2.87137513e-04] [ 2.39013106e-04 3.87301738e-04 -1.44816534e-04] [-2.39013105e-04 -3.87301738e-04 -1.44816533e-04] [ 1.90671532e-04 -3.34828373e-04 2.87137514e-04] [-1.90671536e-04 3.34828376e-04 2.87137516e-04] [ 1.96709316e-12 -2.34656045e-12 1.16087001e-12] [-7.60650410e-13 3.28481738e-12 -1.84500892e-12] [-6.49549259e-05 -1.47404954e-04 -1.47539476e-04] [ 6.49549313e-05 1.47404961e-04 -1.47539467e-04] [-6.49549263e-05 -1.47404968e-04 1.47539465e-04] [ 6.49549309e-05 1.47404974e-04 1.47539458e-04] [ 9.94271094e-05 -6.28621946e-05 9.93790758e-05] [ 9.94271027e-05 -6.28621947e-05 -9.93790804e-05] [-9.94271058e-05 6.28621966e-05 9.93790796e-05] [-9.94270992e-05 6.28621971e-05 -9.93790846e-05] [ 4.23569422e-04 4.21056768e-04 -3.84292598e-12] [ 7.21332867e-04 -7.18632706e-04 -3.42248452e-12] [-7.21332860e-04 7.18632713e-04 -4.46076509e-12] [-4.23569412e-04 -4.21056781e-04 -4.39509540e-12] [-6.49549329e-05 -1.47404979e-04 -1.47539452e-04] [ 6.49549265e-05 1.47404982e-04 -1.47539450e-04] [-6.49549324e-05 -1.47404973e-04 1.47539457e-04] [ 6.49549269e-05 1.47404976e-04 1.47539455e-04] [ 9.94271071e-05 -6.28621960e-05 9.93790765e-05] [ 9.94271193e-05 -6.28621970e-05 -9.93790666e-05] [-9.94271155e-05 6.28621938e-05 9.93790681e-05] [-9.94271280e-05 6.28621930e-05 -9.93790574e-05] [ 4.23569406e-04 4.21056786e-04 4.05377181e-12] [ 7.21332874e-04 -7.18632699e-04 4.53458666e-12] [-7.21332883e-04 7.18632691e-04 5.07949687e-12] [-4.23569403e-04 -4.21056787e-04 4.74297972e-12]] Final stress: [1.84532714e-05 1.08240094e-05 1.85032952e-05 2.36848381e-16 4.73696763e-17 2.59851877e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.05404736e-04 -6.45172806e-05 -1.20903287e-13] [-1.05404743e-04 6.45172799e-05 -4.72816231e-14] [-6.33561069e-05 -7.39480945e-04 5.77232706e-13] [ 6.33561081e-05 7.39480942e-04 4.21426782e-13] [ 1.63924430e-13 6.04252759e-13 1.06799454e-04] [ 3.57935903e-13 2.53963517e-15 -1.06799452e-04] [ 1.05404742e-04 -6.45172813e-05 -8.78025551e-13] [-1.05404736e-04 6.45172808e-05 -1.11164496e-13] [-6.33561066e-05 -7.39480942e-04 3.49636317e-13] [ 6.33561064e-05 7.39480946e-04 3.86498179e-13] [-7.30895312e-13 2.08354687e-13 1.06799453e-04] [-5.93950839e-13 -4.73657029e-14 -1.06799454e-04] [ 1.89609009e-04 3.32669768e-04 2.86070971e-04] [-1.89609007e-04 -3.32669765e-04 2.86070968e-04] [-2.39527651e-04 3.86704084e-04 -1.45333896e-04] [ 2.39527653e-04 -3.86704087e-04 -1.45333899e-04] [ 1.89609012e-04 3.32669770e-04 -2.86070973e-04] [-1.89609007e-04 -3.32669764e-04 -2.86070967e-04] [ 2.39527653e-04 -3.86704087e-04 1.45333899e-04] [-2.39527652e-04 3.86704085e-04 1.45333898e-04] [ 1.89609007e-04 3.32669766e-04 2.86070966e-04] [-1.89609012e-04 -3.32669770e-04 2.86070973e-04] [-2.39527653e-04 3.86704087e-04 -1.45333900e-04] [ 2.39527654e-04 -3.86704084e-04 -1.45333898e-04] [ 1.89609007e-04 3.32669765e-04 -2.86070968e-04] [-1.89609009e-04 -3.32669768e-04 -2.86070971e-04] [ 2.39527651e-04 -3.86704083e-04 1.45333896e-04] [-2.39527654e-04 3.86704087e-04 1.45333899e-04] [ 5.21940130e-12 1.68525610e-12 -6.45941634e-13] [-4.52343965e-12 -2.12869419e-12 -3.44938754e-15] [ 6.30848830e-05 -1.48474257e-04 -1.47019528e-04] [-6.30848922e-05 1.48474249e-04 -1.47019538e-04] [ 6.30848821e-05 -1.48474260e-04 1.47019526e-04] [-6.30848915e-05 1.48474253e-04 1.47019534e-04] [ 9.81228936e-05 6.09864529e-05 9.80748039e-05] [ 9.81229042e-05 6.09864521e-05 -9.80747946e-05] [-9.81228979e-05 -6.09864590e-05 9.80747967e-05] [-9.81229090e-05 -6.09864581e-05 -9.80747877e-05] [-7.21234437e-04 -7.20119977e-04 1.73572268e-12] [-4.24514732e-04 4.20409897e-04 1.87538873e-12] [ 4.24514722e-04 -4.20409910e-04 8.06132938e-13] [ 7.21234430e-04 7.20119988e-04 2.91011659e-12] [ 6.30848892e-05 -1.48474141e-04 -1.47019646e-04] [-6.30848811e-05 1.48474142e-04 -1.47019643e-04] [ 6.30848907e-05 -1.48474151e-04 1.47019637e-04] [-6.30848808e-05 1.48474153e-04 1.47019634e-04] [ 9.81227960e-05 6.09864588e-05 9.80748991e-05] [ 9.81227981e-05 6.09864607e-05 -9.80748967e-05] [-9.81227858e-05 -6.09864547e-05 9.80749124e-05] [-9.81227900e-05 -6.09864553e-05 -9.80749083e-05] [-7.21234326e-04 -7.20120092e-04 -2.40952972e-12] [-4.24514827e-04 4.20409804e-04 -1.03591036e-12] [ 4.24514841e-04 -4.20409789e-04 -1.71478204e-12] [ 7.21234321e-04 7.20120092e-04 -2.06504958e-12]] Final stress: [ 1.84535621e-05 1.08186984e-05 1.85036541e-05 -9.57873543e-17 1.36743260e-15 -2.59890871e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.97957741e-05 1.44317222e-05 -4.28060365e-13] [ 7.97957731e-05 -1.44317215e-05 -1.76025861e-13] [ 1.51020855e-05 7.20928600e-04 -8.15514323e-13] [-1.51020851e-05 -7.20928602e-04 1.25163768e-13] [-1.57290847e-13 7.61210539e-13 -7.88352425e-05] [-4.64392413e-13 8.52720672e-13 7.88352441e-05] [-7.97957718e-05 1.44317220e-05 2.38806174e-13] [ 7.97957752e-05 -1.44317216e-05 1.44180810e-13] [ 1.51020865e-05 7.20928602e-04 5.33630607e-13] [-1.51020856e-05 -7.20928601e-04 4.44789022e-13] [-1.12980134e-13 -6.59435563e-13 -7.88352447e-05] [-1.97200627e-13 -3.75815508e-14 7.88352428e-05] [-2.49503075e-04 -3.73104847e-04 -3.56809503e-04] [ 2.49503075e-04 3.73104848e-04 -3.56809503e-04] [ 2.42116270e-04 -3.62325274e-04 1.32540119e-04] [-2.42116272e-04 3.62325274e-04 1.32540120e-04] [-2.49503073e-04 -3.73104845e-04 3.56809501e-04] [ 2.49503075e-04 3.73104847e-04 3.56809502e-04] [-2.42116273e-04 3.62325275e-04 -1.32540121e-04] [ 2.42116273e-04 -3.62325276e-04 -1.32540122e-04] [-2.49503075e-04 -3.73104846e-04 -3.56809503e-04] [ 2.49503073e-04 3.73104845e-04 -3.56809500e-04] [ 2.42116273e-04 -3.62325276e-04 1.32540121e-04] [-2.42116273e-04 3.62325275e-04 1.32540122e-04] [-2.49503076e-04 -3.73104848e-04 3.56809503e-04] [ 2.49503075e-04 3.73104847e-04 3.56809502e-04] [-2.42116270e-04 3.62325273e-04 -1.32540119e-04] [ 2.42116272e-04 -3.62325275e-04 -1.32540120e-04] [ 7.17557957e-13 2.66796307e-12 -1.89439436e-12] [-2.21528208e-12 3.16985191e-13 1.94854956e-12] [ 1.91123763e-05 1.65766408e-04 1.73134619e-04] [-1.91123787e-05 -1.65766409e-04 1.73134619e-04] [ 1.91123755e-05 1.65766410e-04 -1.73134619e-04] [-1.91123789e-05 -1.65766410e-04 -1.73134618e-04] [-1.34597783e-05 1.69271402e-05 -1.38108167e-05] [-1.34597738e-05 1.69271405e-05 1.38108203e-05] [ 1.34597769e-05 -1.69271412e-05 -1.38108193e-05] [ 1.34597727e-05 -1.69271411e-05 1.38108219e-05] [ 7.17032513e-04 7.11635462e-04 9.26314581e-13] [ 3.72777611e-04 -3.82833498e-04 8.94562202e-13] [-3.72777614e-04 3.82833496e-04 9.53459534e-13] [-7.17032514e-04 -7.11635458e-04 1.25049970e-12] [ 1.91123785e-05 1.65766386e-04 1.73134643e-04] [-1.91123765e-05 -1.65766386e-04 1.73134643e-04] [ 1.91123791e-05 1.65766382e-04 -1.73134646e-04] [-1.91123767e-05 -1.65766382e-04 -1.73134645e-04] [-1.34597477e-05 1.69271409e-05 -1.38108463e-05] [-1.34597496e-05 1.69271411e-05 1.38108451e-05] [ 1.34597508e-05 -1.69271405e-05 -1.38108430e-05] [ 1.34597512e-05 -1.69271403e-05 1.38108435e-05] [ 7.17032488e-04 7.11635485e-04 -1.28373917e-12] [ 3.72777640e-04 -3.82833470e-04 -1.51662744e-12] [-3.72777636e-04 3.82833474e-04 -9.02233013e-13] [-7.17032488e-04 -7.11635487e-04 -1.14422074e-12]] Final stress: [-2.77643234e-05 -1.93141294e-05 -2.77132120e-05 1.08146332e-15 -2.25138903e-16 2.62988226e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.98402048e-05 -1.31352577e-05 -1.79495308e-13] [ 7.98402057e-05 1.31352574e-05 -5.63729619e-13] [-1.38011237e-05 7.20120594e-04 5.01598763e-13] [ 1.38011221e-05 -7.20120592e-04 2.33216224e-13] [-7.86870569e-13 -2.42417197e-13 -7.88848417e-05] [ 2.46608289e-14 -6.21114271e-13 7.88848420e-05] [-7.98402052e-05 -1.31352566e-05 -3.99482617e-13] [ 7.98402044e-05 1.31352578e-05 -1.62649733e-13] [-1.38011230e-05 7.20120592e-04 3.72604243e-14] [ 1.38011240e-05 -7.20120593e-04 -2.58228280e-13] [ 2.43446180e-13 1.07192981e-13 -7.88848412e-05] [ 5.84879781e-13 4.91425883e-14 7.88848409e-05] [-2.41511800e-04 -3.61833229e-04 -1.31665921e-04] [ 2.41511798e-04 3.61833225e-04 -1.31665919e-04] [ 2.48170742e-04 -3.71867232e-04 3.55750706e-04] [-2.48170742e-04 3.71867231e-04 3.55750706e-04] [-2.41511801e-04 -3.61833229e-04 1.31665922e-04] [ 2.41511799e-04 3.61833227e-04 1.31665919e-04] [-2.48170743e-04 3.71867233e-04 -3.55750707e-04] [ 2.48170741e-04 -3.71867231e-04 -3.55750705e-04] [-2.41511798e-04 -3.61833227e-04 -1.31665919e-04] [ 2.41511801e-04 3.61833228e-04 -1.31665922e-04] [ 2.48170743e-04 -3.71867232e-04 3.55750707e-04] [-2.48170741e-04 3.71867231e-04 3.55750706e-04] [-2.41511796e-04 -3.61833227e-04 1.31665919e-04] [ 2.41511801e-04 3.61833229e-04 1.31665921e-04] [-2.48170742e-04 3.71867231e-04 -3.55750707e-04] [ 2.48170742e-04 -3.71867231e-04 -3.55750706e-04] [-1.84789684e-12 -2.19105983e-12 -2.47170340e-13] [ 2.05031121e-12 9.82471057e-13 -8.63731916e-14] [-1.99558635e-05 1.65401121e-04 1.73942487e-04] [ 1.99558626e-05 -1.65401119e-04 1.73942490e-04] [-1.99558637e-05 1.65401120e-04 -1.73942488e-04] [ 1.99558631e-05 -1.65401119e-04 -1.73942490e-04] [-1.23108878e-05 -1.77709198e-05 -1.26625070e-05] [-1.23108869e-05 -1.77709206e-05 1.26625086e-05] [ 1.23108846e-05 1.77709228e-05 -1.26625099e-05] [ 1.23108841e-05 1.77709223e-05 1.26625106e-05] [-3.71982218e-04 -3.83211799e-04 3.59101637e-13] [-7.17858462e-04 7.11287772e-04 1.75137682e-13] [ 7.17858462e-04 -7.11287772e-04 5.84421400e-13] [ 3.71982216e-04 3.83211799e-04 9.64839320e-13] [-1.99558629e-05 1.65401116e-04 1.73942493e-04] [ 1.99558632e-05 -1.65401116e-04 1.73942492e-04] [-1.99558621e-05 1.65401114e-04 -1.73942495e-04] [ 1.99558635e-05 -1.65401115e-04 -1.73942492e-04] [-1.23108819e-05 -1.77709222e-05 -1.26625127e-05] [-1.23108817e-05 -1.77709220e-05 1.26625123e-05] [ 1.23108821e-05 1.77709217e-05 -1.26625132e-05] [ 1.23108827e-05 1.77709208e-05 1.26625131e-05] [-3.71982219e-04 -3.83211796e-04 -1.11927164e-13] [-7.17858458e-04 7.11287776e-04 -2.57228503e-13] [ 7.17858458e-04 -7.11287777e-04 5.33478060e-14] [ 3.71982223e-04 3.83211793e-04 5.15695100e-14]] Final stress: [-2.77731666e-05 -1.92999230e-05 -2.77220544e-05 -7.01829653e-16 9.77698179e-16 -2.63021419e-05] Minimization converged after 10 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.28459893e-04 3.33802430e-13 -3.94434485e-13] [-1.28459896e-04 4.83890705e-13 3.74700271e-15] [-8.35581604e-14 1.26954728e-04 9.69722918e-05] [ 1.03889120e-13 -1.26954730e-04 -9.69722923e-05] [ 7.88979992e-13 9.56181428e-05 -8.07738736e-04] [-7.15344450e-13 -9.56181424e-05 8.07738734e-04] [ 1.28459895e-04 -1.58814807e-13 1.15005497e-12] [-1.28459892e-04 -2.22166734e-13 6.83430905e-14] [ 4.68836244e-13 1.26954731e-04 9.69722924e-05] [ 6.02356327e-13 -1.26954728e-04 -9.69722925e-05] [-1.41830349e-12 9.56181427e-05 -8.07738732e-04] [ 1.22668572e-13 -9.56181430e-05 8.07738736e-04] [ 2.59247512e-04 3.41498530e-04 4.48399501e-04] [-2.72526859e-04 -1.87736114e-04 2.89547730e-04] [-2.72526859e-04 1.87736114e-04 -2.89547734e-04] [ 2.59247509e-04 -3.41498528e-04 -4.48399498e-04] [ 2.72526861e-04 1.87736116e-04 -2.89547734e-04] [-2.59247508e-04 -3.41498526e-04 -4.48399499e-04] [ 2.72526859e-04 -1.87736116e-04 2.89547732e-04] [-2.59247511e-04 3.41498527e-04 4.48399498e-04] [ 2.59247509e-04 3.41498527e-04 4.48399497e-04] [-2.72526861e-04 -1.87736116e-04 2.89547734e-04] [-2.72526860e-04 1.87736115e-04 -2.89547732e-04] [ 2.59247510e-04 -3.41498528e-04 -4.48399499e-04] [ 2.72526859e-04 1.87736113e-04 -2.89547731e-04] [-2.59247513e-04 -3.41498530e-04 -4.48399500e-04] [ 2.72526861e-04 -1.87736115e-04 2.89547733e-04] [-2.59247509e-04 3.41498527e-04 4.48399499e-04] [ 1.70221476e-12 2.45906767e-12 3.67747499e-13] [-2.65844774e-12 -1.92289345e-12 -1.25837176e-12] [-2.83856272e-12 4.72187697e-04 3.52348410e-04] [-3.99535960e-12 6.95675821e-04 -8.10000095e-04] [-2.05546691e-12 -6.95675830e-04 8.10000085e-04] [-1.88371541e-12 -4.72187695e-04 -3.52348410e-04] [-1.10245172e-04 -2.98777409e-05 -2.27354147e-04] [-1.10245184e-04 2.98777371e-05 2.27354137e-04] [ 1.10245172e-04 -2.98777410e-05 -2.27354147e-04] [ 1.10245182e-04 2.98777362e-05 2.27354140e-04] [ 1.48140824e-04 1.48121632e-04 -2.74003225e-05] [-1.48140833e-04 1.48121621e-04 -2.74003249e-05] [ 1.48140821e-04 -1.48121635e-04 2.74003165e-05] [-1.48140828e-04 -1.48121625e-04 2.74003142e-05] [ 4.08448633e-12 4.72187724e-04 3.52348379e-04] [ 3.96478396e-12 6.95675800e-04 -8.10000118e-04] [ 1.66059078e-12 -6.95675786e-04 8.10000131e-04] [ 2.20692087e-12 -4.72187732e-04 -3.52348374e-04] [-1.10245211e-04 -2.98777356e-05 -2.27354111e-04] [-1.10245202e-04 2.98777414e-05 2.27354118e-04] [ 1.10245218e-04 -2.98777365e-05 -2.27354102e-04] [ 1.10245212e-04 2.98777398e-05 2.27354106e-04] [ 1.48140858e-04 1.48121596e-04 -2.74003171e-05] [-1.48140857e-04 1.48121597e-04 -2.74003147e-05] [ 1.48140863e-04 -1.48121592e-04 2.74003229e-05] [-1.48140862e-04 -1.48121594e-04 2.74003242e-05]] Final stress: [ 1.76046456e-05 1.75510297e-05 1.23700325e-05 2.58212493e-05 -6.79524294e-16 1.72291477e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.71254643e-03 6.63553934e-12 -4.65322225e-13] [-4.71254641e-03 1.05046527e-12 -4.56487625e-12] [ 1.11329002e-12 4.50162473e-03 5.77986264e-03] [ 5.43932954e-12 -4.50162467e-03 -5.77986264e-03] [-9.46134837e-12 6.15668223e-03 -1.74526201e-02] [-4.31790714e-12 -6.15668223e-03 1.74526200e-02] [ 4.71254642e-03 1.15998663e-11 -2.95683352e-12] [-4.71254643e-03 7.39437727e-13 -5.30509976e-12] [-6.71262800e-12 4.50162465e-03 5.77986264e-03] [-3.76001889e-12 -4.50162473e-03 -5.77986263e-03] [ 9.40514345e-12 6.15668224e-03 -1.74526200e-02] [ 4.35617396e-13 -6.15668225e-03 1.74526201e-02] [ 5.54219872e-03 -3.05294229e-06 2.27894199e-03] [-3.50203832e-03 -6.83397760e-03 8.32297608e-03] [-3.50203828e-03 6.83397757e-03 -8.32297604e-03] [ 5.54219871e-03 3.05296154e-06 -2.27894201e-03] [ 3.50203826e-03 6.83397757e-03 -8.32297603e-03] [-5.54219873e-03 3.05293962e-06 -2.27894201e-03] [ 3.50203830e-03 -6.83397758e-03 8.32297605e-03] [-5.54219871e-03 -3.05295354e-06 2.27894198e-03] [ 5.54219874e-03 -3.05296350e-06 2.27894202e-03] [-3.50203827e-03 -6.83397757e-03 8.32297603e-03] [-3.50203831e-03 6.83397757e-03 -8.32297605e-03] [ 5.54219870e-03 3.05295522e-06 -2.27894198e-03] [ 3.50203833e-03 6.83397761e-03 -8.32297606e-03] [-5.54219872e-03 3.05294353e-06 -2.27894200e-03] [ 3.50203829e-03 -6.83397759e-03 8.32297602e-03] [-5.54219872e-03 -3.05297471e-06 2.27894200e-03] [-1.04028314e-11 -3.22950000e-11 1.71841361e-11] [ 9.01376658e-12 3.79193301e-11 -1.85518640e-11] [ 1.07650000e-11 -2.43584369e-02 -2.49975494e-02] [ 9.29811783e-14 -1.34009275e-02 1.25011065e-02] [ 4.32509584e-12 1.34009275e-02 -1.25011064e-02] [-3.46805917e-12 2.43584371e-02 2.49975491e-02] [-4.93116344e-03 -3.15143410e-03 -5.20387732e-03] [-4.93116346e-03 3.15143425e-03 5.20387730e-03] [ 4.93116344e-03 -3.15143408e-03 -5.20387731e-03] [ 4.93116349e-03 3.15143425e-03 5.20387728e-03] [-3.72327699e-03 -3.21545092e-03 -2.59475854e-03] [ 3.72327697e-03 -3.21545093e-03 -2.59475853e-03] [-3.72327687e-03 3.21545101e-03 2.59475846e-03] [ 3.72327684e-03 3.21545105e-03 2.59475845e-03] [ 3.70844937e-12 -2.43584369e-02 -2.49975494e-02] [-7.90061913e-12 -1.34009277e-02 1.25011062e-02] [-4.18024031e-13 1.34009276e-02 -1.25011063e-02] [ 1.61423817e-12 2.43584367e-02 2.49975495e-02] [-4.93116369e-03 -3.15143426e-03 -5.20387708e-03] [-4.93116359e-03 3.15143411e-03 5.20387716e-03] [ 4.93116373e-03 -3.15143426e-03 -5.20387704e-03] [ 4.93116361e-03 3.15143412e-03 5.20387715e-03] [-3.72327662e-03 -3.21545125e-03 -2.59475844e-03] [ 3.72327661e-03 -3.21545126e-03 -2.59475845e-03] [-3.72327684e-03 3.21545108e-03 2.59475851e-03] [ 3.72327681e-03 3.21545112e-03 2.59475850e-03]] Final stress: [ 8.99252598e-05 2.94308676e-05 -1.35616888e-04 -3.51160772e-05 -4.65354670e-15 -1.41586076e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.85992723e-05 2.45914400e-13 -2.87825319e-14] [ 7.85992750e-05 5.52988211e-13 -1.05328246e-12] [-3.11056736e-13 -7.95684787e-05 1.65305403e-05] [-3.94864696e-13 7.95684768e-05 -1.65305398e-05] [ 9.97535388e-14 1.72082335e-05 7.22128678e-04] [-8.26561042e-14 -1.72082342e-05 -7.22128678e-04] [-7.85992747e-05 5.57679756e-13 1.74695849e-14] [ 7.85992730e-05 4.51326402e-13 3.14967873e-13] [-3.85011363e-13 -7.95684774e-05 1.65305402e-05] [-1.36851712e-13 7.95684785e-05 -1.65305402e-05] [ 8.89850538e-13 1.72082330e-05 7.22128677e-04] [ 4.00839572e-14 -1.72082332e-05 -7.22128677e-04] [-3.58541587e-04 -2.51642049e-04 -3.75268349e-04] [ 1.33699629e-04 2.42874433e-04 -3.63080400e-04] [ 1.33699627e-04 -2.42874432e-04 3.63080399e-04] [-3.58541589e-04 2.51642049e-04 3.75268350e-04] [-1.33699628e-04 -2.42874434e-04 3.63080400e-04] [ 3.58541587e-04 2.51642047e-04 3.75268349e-04] [-1.33699628e-04 2.42874434e-04 -3.63080401e-04] [ 3.58541586e-04 -2.51642048e-04 -3.75268348e-04] [-3.58541587e-04 -2.51642047e-04 -3.75268348e-04] [ 1.33699628e-04 2.42874434e-04 -3.63080400e-04] [ 1.33699629e-04 -2.42874434e-04 3.63080401e-04] [-3.58541586e-04 2.51642047e-04 3.75268348e-04] [-1.33699628e-04 -2.42874434e-04 3.63080400e-04] [ 3.58541587e-04 2.51642048e-04 3.75268349e-04] [-1.33699627e-04 2.42874433e-04 -3.63080398e-04] [ 3.58541588e-04 -2.51642049e-04 -3.75268351e-04] [-1.93386279e-12 9.92227134e-13 -5.12208331e-13] [ 8.53391685e-13 -8.39236545e-13 5.52245107e-13] [ 2.46752618e-12 7.15797510e-04 7.11804153e-04] [ 2.34001707e-12 3.73812443e-04 -3.82463119e-04] [ 9.06108522e-13 -3.73812448e-04 3.82463113e-04] [ 2.13867812e-12 -7.15797514e-04 -7.11804148e-04] [ 1.72004011e-04 1.76251963e-05 1.66039462e-04] [ 1.72004012e-04 -1.76252020e-05 -1.66039461e-04] [-1.72004012e-04 1.76251954e-05 1.66039462e-04] [-1.72004010e-04 -1.76252034e-05 -1.66039464e-04] [-1.56822112e-05 -1.53319804e-05 1.54404984e-05] [ 1.56822181e-05 -1.53319715e-05 1.54404995e-05] [-1.56822213e-05 1.53319719e-05 -1.54405003e-05] [ 1.56822286e-05 1.53319629e-05 -1.54404985e-05] [-3.29544138e-12 7.15797492e-04 7.11804169e-04] [-3.85761340e-12 3.73812472e-04 -3.82463088e-04] [-1.70903649e-12 -3.73812463e-04 3.82463100e-04] [-1.89502861e-12 -7.15797484e-04 -7.11804179e-04] [ 1.72004031e-04 1.76252029e-05 1.66039443e-04] [ 1.72004031e-04 -1.76251959e-05 -1.66039444e-04] [-1.72004036e-04 1.76252039e-05 1.66039436e-04] [-1.72004038e-04 -1.76251968e-05 -1.66039435e-04] [-1.56822468e-05 -1.53319459e-05 1.54404988e-05] [ 1.56822458e-05 -1.53319479e-05 1.54404981e-05] [-1.56822398e-05 1.53319512e-05 -1.54404978e-05] [ 1.56822407e-05 1.53319517e-05 -1.54404986e-05]] Final stress: [-2.77009549e-05 -2.77520522e-05 -1.93345464e-05 2.62935860e-05 -1.22421899e-15 2.40860894e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.89433051e-05 1.01599285e-13 3.86732313e-13] [ 7.89433043e-05 6.23279206e-13 8.83432216e-13] [ 3.84553500e-13 -7.99027512e-05 -1.42116379e-05] [-1.07372444e-13 7.99027502e-05 1.42116380e-05] [ 2.87506130e-13 -1.48811831e-05 7.20860309e-04] [-5.66213743e-15 1.48811830e-05 -7.20860311e-04] [-7.89433027e-05 -3.62412610e-13 -1.98976397e-13] [ 7.89433053e-05 -1.38200811e-14 -1.49343266e-13] [-8.12875103e-13 -7.99027512e-05 -1.42116389e-05] [-5.21931673e-14 7.99027511e-05 1.42116383e-05] [-7.39714721e-14 -1.48811835e-05 7.20860312e-04] [ 3.82453360e-13 1.48811825e-05 -7.20860308e-04] [-1.32579792e-04 -2.42178008e-04 -3.62262342e-04] [ 3.56629166e-04 2.49300536e-04 -3.72775436e-04] [ 3.56629167e-04 -2.49300537e-04 3.72775436e-04] [-1.32579794e-04 2.42178010e-04 3.62262344e-04] [-3.56629167e-04 -2.49300536e-04 3.72775437e-04] [ 1.32579796e-04 2.42178011e-04 3.62262346e-04] [-3.56629165e-04 2.49300535e-04 -3.72775434e-04] [ 1.32579793e-04 -2.42178008e-04 -3.62262344e-04] [-1.32579795e-04 -2.42178011e-04 -3.62262346e-04] [ 3.56629167e-04 2.49300536e-04 -3.72775436e-04] [ 3.56629165e-04 -2.49300534e-04 3.72775435e-04] [-1.32579793e-04 2.42178009e-04 3.62262343e-04] [-3.56629167e-04 -2.49300535e-04 3.72775436e-04] [ 1.32579792e-04 2.42178008e-04 3.62262342e-04] [-3.56629167e-04 2.49300536e-04 -3.72775436e-04] [ 1.32579794e-04 -2.42178009e-04 -3.62262344e-04] [ 1.22064858e-12 6.55205057e-13 2.09508799e-12] [-1.77359561e-12 6.87529383e-14 -3.48475376e-12] [-4.83946216e-13 -3.72866269e-04 -3.82708121e-04] [ 6.04516437e-13 -7.17092505e-04 7.11910716e-04] [ 4.13835632e-13 7.17092508e-04 -7.11910713e-04] [-2.71560552e-13 3.72866272e-04 3.82708119e-04] [ 1.73119980e-04 -1.93160265e-05 1.65966536e-04] [ 1.73119978e-04 1.93160264e-05 -1.65966538e-04] [-1.73119980e-04 -1.93160269e-05 1.65966535e-04] [-1.73119980e-04 1.93160270e-05 -1.65966535e-04] [-1.35948557e-05 -1.32438781e-05 -1.71300163e-05] [ 1.35948599e-05 -1.32438732e-05 -1.71300159e-05] [-1.35948583e-05 1.32438755e-05 1.71300142e-05] [ 1.35948600e-05 1.32438731e-05 1.71300139e-05] [ 4.36931351e-13 -3.72866354e-04 -3.82708037e-04] [-4.60448281e-13 -7.17092419e-04 7.11910802e-04] [-2.15496535e-13 7.17092423e-04 -7.11910800e-04] [-1.30351320e-12 3.72866353e-04 3.82708036e-04] [ 1.73120063e-04 -1.93160281e-05 1.65966453e-04] [ 1.73120063e-04 1.93160267e-05 -1.65966453e-04] [-1.73120066e-04 -1.93160278e-05 1.65966450e-04] [-1.73120066e-04 1.93160290e-05 -1.65966450e-04] [-1.35949415e-05 -1.32437916e-05 -1.71300139e-05] [ 1.35949431e-05 -1.32437899e-05 -1.71300130e-05] [-1.35949443e-05 1.32437889e-05 1.71300143e-05] [ 1.35949454e-05 1.32437873e-05 1.71300152e-05]] Final stress: [-2.77131172e-05 -2.77642391e-05 -1.93138007e-05 -2.62992500e-05 -9.47511957e-17 7.28976290e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.82880580e-03 5.34672306e-12 -4.89724631e-03] [-3.82880581e-03 -3.17679216e-12 4.89724631e-03] [-4.10695089e-12 3.98758291e-03 4.12556100e-12] [-5.00161024e-12 -3.98758293e-03 5.05499809e-12] [-5.17649921e-03 7.18042292e-12 -1.51185559e-02] [ 5.17649921e-03 1.04947995e-12 1.51185559e-02] [ 3.82880580e-03 -5.70921058e-12 -4.89724632e-03] [-3.82880579e-03 2.68334007e-13 4.89724631e-03] [ 4.38893699e-12 3.98758296e-03 3.78380283e-13] [ 3.19105460e-12 -3.98758290e-03 5.37655929e-12] [-5.17649921e-03 4.43660408e-12 -1.51185559e-02] [ 5.17649921e-03 1.57070235e-11 1.51185559e-02] [ 5.84379913e-03 2.87932820e-03 7.19271299e-03] [-6.88374469e-05 -4.69725288e-03 2.00302337e-03] [-5.84379913e-03 2.87932819e-03 -7.19271299e-03] [ 6.88374360e-05 -4.69725288e-03 -2.00302337e-03] [ 6.88374524e-05 4.69725287e-03 -2.00302339e-03] [-5.84379911e-03 -2.87932820e-03 -7.19271297e-03] [ 5.84379909e-03 -2.87932819e-03 7.19271296e-03] [-6.88374342e-05 4.69725287e-03 2.00302339e-03] [ 5.84379912e-03 2.87932819e-03 7.19271296e-03] [-6.88374483e-05 -4.69725288e-03 2.00302338e-03] [-5.84379909e-03 2.87932817e-03 -7.19271296e-03] [ 6.88374315e-05 -4.69725286e-03 -2.00302338e-03] [ 6.88374383e-05 4.69725287e-03 -2.00302338e-03] [-5.84379913e-03 -2.87932820e-03 -7.19271299e-03] [ 5.84379914e-03 -2.87932820e-03 7.19271298e-03] [-6.88374384e-05 4.69725288e-03 2.00302336e-03] [-1.46210127e-12 2.15029661e-11 -8.04496747e-12] [ 1.72181213e-12 -2.59059670e-11 4.78185158e-12] [ 2.64128353e-03 -4.20881044e-03 -4.48016119e-03] [ 2.64128354e-03 4.20881031e-03 -4.48016136e-03] [-2.64128354e-03 -4.20881043e-03 4.48016120e-03] [-2.64128356e-03 4.20881031e-03 4.48016135e-03] [ 1.16718613e-02 -5.87984106e-11 1.09205668e-02] [-2.09048896e-02 -4.73157624e-11 2.14418512e-02] [ 2.09048896e-02 -4.50066096e-11 -2.14418512e-02] [-1.16718615e-02 -5.79539194e-11 -1.09205667e-02] [-2.75389182e-03 -3.13440613e-03 2.23566608e-03] [ 2.75389179e-03 -3.13440617e-03 -2.23566602e-03] [-2.75389185e-03 3.13440610e-03 2.23566609e-03] [ 2.75389185e-03 3.13440612e-03 -2.23566604e-03] [ 2.64128356e-03 -4.20881125e-03 -4.48016040e-03] [ 2.64128356e-03 4.20881130e-03 -4.48016033e-03] [-2.64128354e-03 -4.20881136e-03 4.48016030e-03] [-2.64128353e-03 4.20881139e-03 4.48016024e-03] [ 1.16718624e-02 5.48325042e-11 1.09205658e-02] [-2.09048886e-02 4.65895331e-11 2.14418522e-02] [ 2.09048886e-02 3.50283229e-11 -2.14418522e-02] [-1.16718623e-02 4.70119194e-11 -1.09205658e-02] [-2.75389285e-03 -3.13440513e-03 2.23566604e-03] [ 2.75389287e-03 -3.13440509e-03 -2.23566608e-03] [-2.75389269e-03 3.13440524e-03 2.23566603e-03] [ 2.75389270e-03 3.13440523e-03 -2.23566606e-03]] Final stress: [ 3.18779630e-05 7.70693814e-05 -1.11327611e-04 1.67302989e-15 3.34368826e-05 -8.42939198e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.41455807e-03 -6.88547830e-12 5.67124689e-03] [-4.41455798e-03 -1.45768120e-12 -5.67124690e-03] [ 8.52234949e-14 4.61866456e-03 1.05941506e-11] [-6.40019981e-12 -4.61866451e-03 -1.48120405e-12] [ 6.03559407e-03 -3.23976956e-12 -1.71618060e-02] [-6.03559409e-03 -1.28758115e-12 1.71618060e-02] [ 4.41455799e-03 5.37594874e-12 5.67124690e-03] [-4.41455807e-03 2.30015442e-12 -5.67124690e-03] [ 8.07053847e-12 4.61866454e-03 3.84879834e-12] [ 7.40124501e-12 -4.61866456e-03 7.40489389e-13] [ 6.03559409e-03 6.01768510e-12 -1.71618060e-02] [-6.03559407e-03 -4.20498461e-12 1.71618060e-02] [ 7.45953910e-06 5.43929183e-03 2.24822266e-03] [-6.70678868e-03 -3.41656511e-03 8.18135831e-03] [-7.45956409e-06 5.43929186e-03 -2.24822270e-03] [ 6.70678862e-03 -3.41656502e-03 -8.18135825e-03] [ 6.70678859e-03 3.41656500e-03 -8.18135823e-03] [-7.45959191e-06 -5.43929189e-03 -2.24822272e-03] [ 7.45955967e-06 -5.43929183e-03 2.24822267e-03] [-6.70678864e-03 3.41656506e-03 8.18135827e-03] [ 7.45959157e-06 5.43929188e-03 2.24822272e-03] [-6.70678860e-03 -3.41656501e-03 8.18135822e-03] [-7.45955120e-06 5.43929183e-03 -2.24822267e-03] [ 6.70678864e-03 -3.41656505e-03 -8.18135828e-03] [ 6.70678868e-03 3.41656509e-03 -8.18135832e-03] [-7.45954440e-06 -5.43929182e-03 -2.24822266e-03] [ 7.45956557e-06 -5.43929187e-03 2.24822269e-03] [-6.70678862e-03 3.41656503e-03 8.18135825e-03] [-6.68287925e-11 -4.01398428e-11 1.02614445e-12] [ 6.80975747e-11 2.98884335e-11 -1.24641904e-11] [-3.08229082e-03 -4.84293812e-03 -5.11182220e-03] [-3.08229080e-03 4.84293811e-03 -5.11182220e-03] [ 3.08229092e-03 -4.84293816e-03 5.11182216e-03] [ 3.08229092e-03 4.84293817e-03 5.11182215e-03] [-2.39348723e-02 3.11433657e-11 -2.45569299e-02] [ 1.31905246e-02 4.07329726e-11 -1.23134391e-02] [-1.31905245e-02 1.51206825e-11 1.23134393e-02] [ 2.39348724e-02 1.69155245e-11 2.45569297e-02] [-3.16152882e-03 -3.65283560e-03 -2.54477741e-03] [ 3.16152890e-03 -3.65283549e-03 2.54477740e-03] [-3.16152875e-03 3.65283567e-03 -2.54477739e-03] [ 3.16152884e-03 3.65283554e-03 2.54477740e-03] [-3.08229093e-03 -4.84293816e-03 -5.11182213e-03] [-3.08229094e-03 4.84293810e-03 -5.11182221e-03] [ 3.08229079e-03 -4.84293820e-03 5.11182209e-03] [ 3.08229080e-03 4.84293815e-03 5.11182219e-03] [-2.39348724e-02 -2.48778935e-11 -2.45569297e-02] [ 1.31905246e-02 -2.14197757e-11 -1.23134392e-02] [-1.31905246e-02 -3.29502198e-11 1.23134391e-02] [ 2.39348722e-02 -7.35966871e-12 2.45569299e-02] [-3.16152890e-03 -3.65283548e-03 -2.54477738e-03] [ 3.16152878e-03 -3.65283563e-03 2.54477741e-03] [-3.16152891e-03 3.65283550e-03 -2.54477739e-03] [ 3.16152884e-03 3.65283560e-03 2.54477741e-03]] Final stress: [ 2.98401129e-05 8.83325900e-05 -1.32627703e-04 -8.27711733e-15 -3.49089098e-05 -1.18627503e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-8.01939572e-05 -3.47569196e-13 1.16209313e-05] [ 8.01939547e-05 1.18349774e-13 -1.16209313e-05] [-7.01688707e-13 -7.92452518e-05 3.31512595e-13] [-5.63590841e-13 7.92452515e-05 4.31946146e-13] [ 1.22813937e-05 6.63330502e-13 7.19383714e-04] [-1.22813940e-05 1.45106149e-13 -7.19383716e-04] [-8.01939538e-05 6.57430114e-14 1.16209304e-05] [ 8.01939569e-05 2.16907181e-14 -1.16209312e-05] [ 2.09086947e-13 -7.92452503e-05 6.12954005e-13] [-1.80473312e-13 7.92452519e-05 2.00612977e-14] [ 1.22813946e-05 -1.72389247e-13 7.19383716e-04] [-1.22813938e-05 -3.20777205e-13 -7.19383714e-04] [-2.46677024e-04 -3.54503295e-04 -3.70072291e-04] [ 2.41284783e-04 1.31195607e-04 -3.61323311e-04] [ 2.46677025e-04 -3.54503297e-04 3.70072294e-04] [-2.41284783e-04 1.31195607e-04 3.61323310e-04] [-2.41284782e-04 -1.31195605e-04 3.61323309e-04] [ 2.46677022e-04 3.54503296e-04 3.70072292e-04] [-2.46677024e-04 3.54503294e-04 -3.70072291e-04] [ 2.41284781e-04 -1.31195605e-04 -3.61323310e-04] [-2.46677024e-04 -3.54503294e-04 -3.70072291e-04] [ 2.41284782e-04 1.31195605e-04 -3.61323309e-04] [ 2.46677024e-04 -3.54503295e-04 3.70072291e-04] [-2.41284780e-04 1.31195605e-04 3.61323310e-04] [-2.41284782e-04 -1.31195607e-04 3.61323311e-04] [ 2.46677024e-04 3.54503295e-04 3.70072291e-04] [-2.46677025e-04 3.54503297e-04 -3.70072293e-04] [ 2.41284784e-04 -1.31195607e-04 -3.61323311e-04] [ 5.82534021e-13 1.01837982e-12 1.40249617e-12] [-1.65621289e-12 -1.24218276e-12 -9.69465249e-13] [ 2.11377153e-05 1.74455500e-04 1.65723203e-04] [ 2.11377124e-05 -1.74455501e-04 1.65723203e-04] [-2.11377196e-05 1.74455495e-04 -1.65723207e-04] [-2.11377207e-05 -1.74455497e-04 -1.65723206e-04] [ 7.18589691e-04 -3.39117623e-13 7.11829449e-04] [-3.71682134e-04 -7.48179296e-13 3.83104760e-04] [ 3.71682123e-04 -4.65960603e-13 -3.83104772e-04] [-7.18589698e-04 9.25981514e-13 -7.11829439e-04] [-1.09159145e-05 -1.12679023e-05 1.89507437e-05] [ 1.09159103e-05 -1.12679069e-05 -1.89507461e-05] [-1.09159108e-05 1.12679053e-05 1.89507427e-05] [ 1.09159068e-05 1.12679108e-05 -1.89507455e-05] [ 2.11377202e-05 1.74455505e-04 1.65723198e-04] [ 2.11377203e-05 -1.74455508e-04 1.65723195e-04] [-2.11377118e-05 1.74455507e-04 -1.65723197e-04] [-2.11377131e-05 -1.74455510e-04 -1.65723195e-04] [ 7.18589684e-04 -1.02444728e-13 7.11829453e-04] [-3.71682134e-04 -2.19677944e-13 3.83104760e-04] [ 3.71682142e-04 -7.96952049e-13 -3.83104752e-04] [-7.18589685e-04 -1.78553660e-12 -7.11829454e-04] [-1.09158967e-05 -1.12679213e-05 1.89507456e-05] [ 1.09159075e-05 -1.12679095e-05 -1.89507433e-05] [-1.09158967e-05 1.12679202e-05 1.89507471e-05] [ 1.09159029e-05 1.12679131e-05 -1.89507440e-05]] Final stress: [-2.77788914e-05 -2.77277490e-05 -1.92893336e-05 -9.32418847e-16 2.63056454e-05 4.73755979e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.99345501e-05 -2.52700638e-13 -1.38133081e-05] [ 7.99345531e-05 2.44276821e-13 1.38133093e-05] [ 1.49505408e-13 -7.89767229e-05 3.82568976e-13] [-4.28643232e-13 7.89767245e-05 -2.64191446e-13] [-1.44814654e-05 -8.37802050e-13 7.20627409e-04] [ 1.44814661e-05 -1.26575139e-12 -7.20627409e-04] [-7.99345529e-05 8.42040588e-13 -1.38133093e-05] [ 7.99345501e-05 4.08736589e-13 1.38133093e-05] [-5.72988585e-14 -7.89767242e-05 5.08744152e-14] [ 6.61002123e-13 7.89767238e-05 -2.24127086e-14] [-1.44814664e-05 3.73194910e-13 7.20627408e-04] [ 1.44814658e-05 2.94388537e-14 -7.20627411e-04] [-2.42023618e-04 -1.32346699e-04 -3.62114853e-04] [ 2.48898577e-04 3.56306962e-04 -3.72375101e-04] [ 2.42023617e-04 -1.32346699e-04 3.62114853e-04] [-2.48898577e-04 3.56306963e-04 3.72375102e-04] [-2.48898577e-04 -3.56306964e-04 3.72375103e-04] [ 2.42023615e-04 1.32346696e-04 3.62114850e-04] [-2.42023617e-04 1.32346698e-04 -3.62114853e-04] [ 2.48898578e-04 -3.56306964e-04 -3.72375102e-04] [-2.42023615e-04 -1.32346696e-04 -3.62114851e-04] [ 2.48898577e-04 3.56306964e-04 -3.72375104e-04] [ 2.42023617e-04 -1.32346697e-04 3.62114853e-04] [-2.48898579e-04 3.56306964e-04 3.72375102e-04] [-2.48898576e-04 -3.56306962e-04 3.72375101e-04] [ 2.42023617e-04 1.32346699e-04 3.62114853e-04] [-2.42023619e-04 1.32346698e-04 -3.62114853e-04] [ 2.48898576e-04 -3.56306963e-04 -3.72375103e-04] [-1.48253632e-12 -2.15114732e-12 2.11532181e-13] [ 1.91170951e-12 4.77728190e-13 1.34820639e-12] [-1.95839421e-05 1.73339697e-04 1.65905480e-04] [-1.95839414e-05 -1.73339693e-04 1.65905484e-04] [ 1.95839486e-05 1.73339704e-04 -1.65905473e-04] [ 1.95839497e-05 -1.73339700e-04 -1.65905479e-04] [-3.72667692e-04 1.35913503e-12 -3.82790403e-04] [ 7.17334788e-04 3.09419157e-13 -7.11872409e-04] [-7.17334781e-04 2.31648034e-13 7.11872418e-04] [ 3.72667697e-04 -8.65030270e-13 3.82790396e-04] [-1.28862756e-05 -1.32375436e-05 -1.73978526e-05] [ 1.28862793e-05 -1.32375391e-05 1.73978551e-05] [-1.28862791e-05 1.32375391e-05 -1.73978522e-05] [ 1.28862843e-05 1.32375341e-05 1.73978567e-05] [-1.95839488e-05 1.73339676e-04 1.65905502e-04] [-1.95839491e-05 -1.73339670e-04 1.65905507e-04] [ 1.95839435e-05 1.73339673e-04 -1.65905505e-04] [ 1.95839431e-05 -1.73339670e-04 -1.65905507e-04] [-3.72667667e-04 -9.10680297e-13 -3.82790426e-04] [ 7.17334805e-04 8.33233096e-13 -7.11872394e-04] [-7.17334815e-04 -3.27747607e-13 7.11872382e-04] [ 3.72667668e-04 -4.94701869e-14 3.82790427e-04] [-1.28863065e-05 -1.32375100e-05 -1.73978551e-05] [ 1.28862991e-05 -1.32375190e-05 1.73978518e-05] [-1.28863102e-05 1.32375073e-05 -1.73978558e-05] [ 1.28863046e-05 1.32375144e-05 1.73978516e-05]] Final stress: [-2.77666521e-05 -2.77155275e-05 -1.93098346e-05 -8.92170551e-16 -2.63002425e-05 -6.17874224e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.02356154e-04 6.44001035e-05 6.31619756e-13] [-1.02356153e-04 -6.44001036e-05 4.13752366e-13] [ 6.44001038e-05 1.02356154e-04 3.72868403e-13] [-6.44001040e-05 -1.02356153e-04 6.52894405e-13] [ 6.42264020e-14 1.74499304e-13 -7.25822159e-04] [-3.72660236e-13 -5.03930231e-13 7.25822160e-04] [ 1.02356153e-04 6.44001038e-05 -5.32173598e-13] [-1.02356154e-04 -6.44001042e-05 -7.03802251e-13] [ 6.44001036e-05 1.02356155e-04 -9.92629467e-14] [-6.44001036e-05 -1.02356153e-04 -6.00257189e-13] [ 1.61511509e-13 -2.40216609e-13 -7.25822160e-04] [-1.34489113e-14 1.62557752e-13 7.25822158e-04] [ 2.33497335e-04 2.33497335e-04 2.82456452e-04] [-2.33497334e-04 -2.33497335e-04 2.82456452e-04] [-1.86052371e-04 1.86052371e-04 -4.31587340e-04] [ 1.86052370e-04 -1.86052370e-04 -4.31587339e-04] [ 2.33497335e-04 2.33497335e-04 -2.82456451e-04] [-2.33497334e-04 -2.33497335e-04 -2.82456451e-04] [ 1.86052370e-04 -1.86052370e-04 4.31587339e-04] [-1.86052371e-04 1.86052370e-04 4.31587341e-04] [ 2.33497335e-04 2.33497335e-04 2.82456451e-04] [-2.33497334e-04 -2.33497334e-04 2.82456451e-04] [-1.86052370e-04 1.86052371e-04 -4.31587340e-04] [ 1.86052370e-04 -1.86052371e-04 -4.31587340e-04] [ 2.33497335e-04 2.33497335e-04 -2.82456453e-04] [-2.33497334e-04 -2.33497334e-04 -2.82456452e-04] [ 1.86052370e-04 -1.86052371e-04 4.31587339e-04] [-1.86052370e-04 1.86052370e-04 4.31587339e-04] [-7.98007493e-13 -1.02802489e-12 6.27178864e-13] [ 9.31877841e-13 -1.53043140e-12 1.05229610e-13] [-6.33786371e-05 -1.43504498e-04 -1.45749607e-04] [ 6.33786370e-05 1.43504503e-04 -1.45749602e-04] [-6.33786362e-05 -1.43504493e-04 1.45749612e-04] [ 6.33786378e-05 1.43504494e-04 1.45749610e-04] [-1.43504487e-04 -6.33786360e-05 -1.45749619e-04] [-1.43504476e-04 -6.33786347e-05 1.45749628e-04] [ 1.43504487e-04 6.33786362e-05 -1.45749618e-04] [ 1.43504477e-04 6.33786366e-05 1.45749627e-04] [ 6.59814275e-04 6.59814284e-04 4.97796249e-12] [ 4.71394088e-04 -4.71394072e-04 4.42934578e-12] [-4.71394087e-04 4.71394075e-04 4.01262357e-12] [-6.59814273e-04 -6.59814288e-04 3.20748983e-12] [-6.33786366e-05 -1.43504477e-04 -1.45749627e-04] [ 6.33786342e-05 1.43504478e-04 -1.45749627e-04] [-6.33786371e-05 -1.43504487e-04 1.45749619e-04] [ 6.33786351e-05 1.43504489e-04 1.45749617e-04] [-1.43504494e-04 -6.33786364e-05 -1.45749610e-04] [-1.43504501e-04 -6.33786382e-05 1.45749604e-04] [ 1.43504491e-04 6.33786372e-05 -1.45749613e-04] [ 1.43504500e-04 6.33786361e-05 1.45749605e-04] [ 6.59814289e-04 6.59814272e-04 -4.67051502e-12] [ 4.71394071e-04 -4.71394091e-04 -4.42940943e-12] [-4.71394074e-04 4.71394087e-04 -3.14282261e-12] [-6.59814285e-04 -6.59814274e-04 -3.17077384e-12]] Final stress: [ 1.84881397e-05 1.84881397e-05 1.08259059e-05 -9.15953475e-17 -4.50221525e-16 2.59818351e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.05738757e-04 -7.53415826e-05 -7.29971639e-14] [-1.05738760e-04 7.53415818e-05 3.94823063e-13] [-7.53415820e-05 1.05738758e-04 7.04061809e-13] [ 7.53415831e-05 -1.05738760e-04 3.69371200e-13] [-9.04692987e-14 -1.83880688e-13 -7.33644393e-04] [-5.84532422e-14 -1.01731124e-12 7.33644393e-04] [ 1.05738761e-04 -7.53415820e-05 -1.59943950e-13] [-1.05738757e-04 7.53415827e-05 -1.46267005e-13] [-7.53415827e-05 1.05738759e-04 -1.07098870e-13] [ 7.53415817e-05 -1.05738758e-04 -2.38038661e-13] [-8.72449105e-13 2.95779257e-13 -7.33644394e-04] [-7.36478112e-13 2.58335847e-13 7.33644392e-04] [ 1.83912569e-04 1.83912568e-04 4.34767849e-04] [-1.83912566e-04 -1.83912565e-04 4.34767845e-04] [-2.38593578e-04 2.38593577e-04 -2.95443153e-04] [ 2.38593579e-04 -2.38593580e-04 -2.95443156e-04] [ 1.83912569e-04 1.83912569e-04 -4.34767848e-04] [-1.83912567e-04 -1.83912567e-04 -4.34767846e-04] [ 2.38593579e-04 -2.38593579e-04 2.95443156e-04] [-2.38593578e-04 2.38593577e-04 2.95443154e-04] [ 1.83912568e-04 1.83912568e-04 4.34767846e-04] [-1.83912569e-04 -1.83912568e-04 4.34767848e-04] [-2.38593579e-04 2.38593580e-04 -2.95443156e-04] [ 2.38593578e-04 -2.38593577e-04 -2.95443155e-04] [ 1.83912566e-04 1.83912567e-04 -4.34767845e-04] [-1.83912569e-04 -1.83912568e-04 -4.34767848e-04] [ 2.38593578e-04 -2.38593577e-04 2.95443153e-04] [-2.38593579e-04 2.38593580e-04 2.95443155e-04] [ 2.07333456e-12 6.04689909e-13 1.43302037e-13] [-3.88359510e-12 -5.09330407e-13 1.40964617e-12] [ 5.81553005e-05 -1.36838461e-04 -1.48949250e-04] [-5.81553034e-05 1.36838455e-04 -1.48949257e-04] [ 5.81552997e-05 -1.36838460e-04 1.48949251e-04] [-5.81553031e-05 1.36838453e-04 1.48949259e-04] [-1.36838415e-04 5.81552979e-05 -1.48949295e-04] [-1.36838407e-04 5.81552973e-05 1.48949302e-04] [ 1.36838413e-04 -5.81553049e-05 -1.48949299e-04] [ 1.36838406e-04 -5.81553041e-05 1.48949306e-04] [-4.54752954e-04 -4.54752915e-04 2.92171842e-12] [-6.59734729e-04 6.59734755e-04 2.35939046e-12] [ 6.59734719e-04 -6.59734766e-04 2.06940021e-12] [ 4.54752955e-04 4.54752915e-04 2.14184226e-12] [ 5.81553031e-05 -1.36838407e-04 -1.48949304e-04] [-5.81552978e-05 1.36838411e-04 -1.48949298e-04] [ 5.81553032e-05 -1.36838415e-04 1.48949298e-04] [-5.81552989e-05 1.36838420e-04 1.48949292e-04] [-1.36838451e-04 5.81553050e-05 -1.48949260e-04] [-1.36838454e-04 5.81553053e-05 1.48949258e-04] [ 1.36838455e-04 -5.81552986e-05 -1.48949255e-04] [ 1.36838457e-04 -5.81552993e-05 1.48949254e-04] [-4.54752913e-04 -4.54752957e-04 -2.37450570e-12] [-6.59734762e-04 6.59734723e-04 -2.37429037e-12] [ 6.59734772e-04 -6.59734713e-04 -1.37467586e-12] [ 4.54752905e-04 4.54752962e-04 -2.23440394e-12]] Final stress: [ 1.85116977e-05 1.85116977e-05 1.07640960e-05 -9.38171111e-16 1.73968280e-16 -2.59586748e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-6.81223292e-05 5.50104183e-05 5.18751708e-14] [ 6.81223289e-05 -5.50104189e-05 -3.55687702e-13] [ 5.50104189e-05 -6.81223285e-05 8.79060713e-13] [-5.50104198e-05 6.81223295e-05 2.76473289e-13] [ 7.64027730e-13 1.17655885e-13 7.46538881e-04] [ 1.39838141e-12 -2.01741401e-13 -7.46538883e-04] [-6.81223296e-05 5.50104195e-05 -3.00967369e-13] [ 6.81223289e-05 -5.50104192e-05 -8.49532033e-14] [ 5.50104189e-05 -6.81223299e-05 -5.53703969e-15] [-5.50104187e-05 6.81223286e-05 3.75585156e-13] [-9.33245407e-13 3.45911144e-13 7.46538882e-04] [ 1.09475939e-13 -6.86607604e-13 -7.46538881e-04] [-2.97402295e-04 -2.97402295e-04 -5.24497532e-04] [ 2.97402296e-04 2.97402296e-04 -5.24497531e-04] [ 2.47260958e-04 -2.47260959e-04 2.76563486e-04] [-2.47260955e-04 2.47260955e-04 2.76563484e-04] [-2.97402296e-04 -2.97402296e-04 5.24497532e-04] [ 2.97402297e-04 2.97402296e-04 5.24497531e-04] [-2.47260955e-04 2.47260956e-04 -2.76563483e-04] [ 2.47260955e-04 -2.47260955e-04 -2.76563484e-04] [-2.97402296e-04 -2.97402297e-04 -5.24497532e-04] [ 2.97402296e-04 2.97402296e-04 -5.24497533e-04] [ 2.47260955e-04 -2.47260954e-04 2.76563484e-04] [-2.47260955e-04 2.47260955e-04 2.76563484e-04] [-2.97402295e-04 -2.97402296e-04 5.24497531e-04] [ 2.97402295e-04 2.97402295e-04 5.24497532e-04] [-2.47260959e-04 2.47260958e-04 -2.76563486e-04] [ 2.47260956e-04 -2.47260954e-04 -2.76563484e-04] [ 8.60943261e-13 -9.91470794e-13 2.14459700e-12] [-3.71378839e-13 9.13678810e-13 -6.92103682e-13] [-1.96152414e-05 1.61793708e-04 1.57476800e-04] [ 1.96152442e-05 -1.61793709e-04 1.57476801e-04] [-1.96152425e-05 1.61793704e-04 -1.57476804e-04] [ 1.96152445e-05 -1.61793703e-04 -1.57476806e-04] [ 1.61793664e-04 -1.96152396e-05 1.57476844e-04] [ 1.61793665e-04 -1.96152420e-05 -1.57476843e-04] [-1.61793665e-04 1.96152417e-05 1.57476843e-04] [-1.61793667e-04 1.96152419e-05 -1.57476842e-04] [ 4.90903448e-04 4.90903405e-04 -1.28308475e-12] [ 5.96878929e-04 -5.96878964e-04 -2.06434869e-12] [-5.96878922e-04 5.96878970e-04 -1.55592206e-12] [-4.90903442e-04 -4.90903411e-04 -1.02029496e-13] [-1.96152440e-05 1.61793667e-04 1.57476843e-04] [ 1.96152423e-05 -1.61793666e-04 1.57476842e-04] [-1.96152425e-05 1.61793666e-04 -1.57476844e-04] [ 1.96152407e-05 -1.61793667e-04 -1.57476841e-04] [ 1.61793701e-04 -1.96152432e-05 1.57476808e-04] [ 1.61793706e-04 -1.96152413e-05 -1.57476804e-04] [-1.61793706e-04 1.96152412e-05 1.57476801e-04] [-1.61793712e-04 1.96152415e-05 -1.57476797e-04] [ 4.90903406e-04 4.90903447e-04 6.13976294e-13] [ 5.96878966e-04 -5.96878926e-04 2.21444057e-12] [-5.96878965e-04 5.96878927e-04 7.26973185e-13] [-4.90903404e-04 -4.90903449e-04 3.54802092e-13]] Final stress: [-2.75922943e-05 -2.75922943e-05 -1.95822426e-05 -1.19612903e-15 1.05903328e-15 2.62165572e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-6.29477428e-05 -7.62975306e-05 -7.44071471e-13] [ 6.29477447e-05 7.62975304e-05 2.09138262e-14] [-7.62975308e-05 -6.29477422e-05 -3.20632410e-13] [ 7.62975296e-05 6.29477463e-05 -3.94739796e-13] [-1.02942654e-12 -1.31498978e-12 7.58604046e-04] [-1.51420543e-13 -1.16469334e-12 -7.58604046e-04] [-6.29477458e-05 -7.62975293e-05 4.00060177e-13] [ 6.29477447e-05 7.62975308e-05 -1.94849115e-13] [-7.62975293e-05 -6.29477459e-05 -1.31368343e-13] [ 7.62975303e-05 6.29477430e-05 -2.78722683e-13] [-8.24126005e-14 -6.44315037e-13 7.58604048e-04] [ 1.66922113e-13 -1.45714902e-13 -7.58604046e-04] [-2.46926207e-04 -2.46926207e-04 -2.88331751e-04] [ 2.46926204e-04 2.46926205e-04 -2.88331747e-04] [ 3.18760718e-04 -3.18760717e-04 5.50613699e-04] [-3.18760717e-04 3.18760717e-04 5.50613698e-04] [-2.46926208e-04 -2.46926207e-04 2.88331751e-04] [ 2.46926205e-04 2.46926205e-04 2.88331747e-04] [-3.18760716e-04 3.18760715e-04 -5.50613698e-04] [ 3.18760717e-04 -3.18760717e-04 -5.50613699e-04] [-2.46926203e-04 -2.46926204e-04 -2.88331747e-04] [ 2.46926208e-04 2.46926207e-04 -2.88331752e-04] [ 3.18760716e-04 -3.18760716e-04 5.50613698e-04] [-3.18760717e-04 3.18760717e-04 5.50613699e-04] [-2.46926203e-04 -2.46926203e-04 2.88331749e-04] [ 2.46926207e-04 2.46926208e-04 2.88331752e-04] [-3.18760717e-04 3.18760717e-04 -5.50613699e-04] [ 3.18760716e-04 -3.18760716e-04 -5.50613698e-04] [-2.65384242e-12 -4.17053198e-12 -6.97150671e-13] [ 1.19962548e-12 2.67165962e-12 -1.11931515e-12] [ 3.47524805e-05 1.61108740e-04 1.44176071e-04] [-3.47524810e-05 -1.61108731e-04 1.44176082e-04] [ 3.47524795e-05 1.61108738e-04 -1.44176073e-04] [-3.47524806e-05 -1.61108731e-04 -1.44176082e-04] [ 1.61108758e-04 3.47524830e-05 1.44176053e-04] [ 1.61108751e-04 3.47524820e-05 -1.44176059e-04] [-1.61108755e-04 -3.47524820e-05 1.44176058e-04] [-1.61108751e-04 -3.47524804e-05 -1.44176060e-04] [-6.13326552e-04 -6.13326536e-04 -6.70963285e-13] [-4.63463416e-04 4.63463426e-04 -1.47648560e-12] [ 4.63463405e-04 -4.63463437e-04 -1.57018842e-12] [ 6.13326555e-04 6.13326532e-04 -1.19232402e-12] [ 3.47524823e-05 1.61108756e-04 1.44176054e-04] [-3.47524797e-05 -1.61108748e-04 1.44176063e-04] [ 3.47524813e-05 1.61108761e-04 -1.44176050e-04] [-3.47524832e-05 -1.61108753e-04 -1.44176059e-04] [ 1.61108736e-04 3.47524801e-05 1.44176075e-04] [ 1.61108737e-04 3.47524797e-05 -1.44176075e-04] [-1.61108732e-04 -3.47524817e-05 1.44176079e-04] [-1.61108733e-04 -3.47524827e-05 -1.44176079e-04] [-6.13326531e-04 -6.13326554e-04 7.23873455e-13] [-4.63463437e-04 4.63463406e-04 1.80327136e-12] [ 4.63463425e-04 -4.63463416e-04 2.39898184e-12] [ 6.13326539e-04 6.13326548e-04 1.63152705e-12]] Final stress: [-2.75481457e-05 -2.75481457e-05 -1.96740827e-05 9.55897019e-17 6.14205760e-16 -2.61746713e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.26787915e-05 1.08385523e-13 1.58595359e-13] [-6.26787916e-05 9.55763246e-14 6.36296571e-14] [ 9.11770659e-15 5.49905405e-05 4.99886609e-04] [ 6.23667784e-14 -5.49905410e-05 -4.99886609e-04] [ 2.88519209e-14 4.99886609e-04 5.49905408e-05] [-3.99125177e-14 -4.99886609e-04 -5.49905407e-05] [ 6.26787917e-05 1.11948547e-13 7.48480550e-14] [-6.26787915e-05 -6.07147525e-14 1.09249673e-13] [-5.94860442e-14 5.49905414e-05 4.99886609e-04] [ 6.28383521e-14 -5.49905407e-05 -4.99886609e-04] [-1.05548707e-13 4.99886609e-04 5.49905410e-05] [-6.11085008e-14 -4.99886609e-04 -5.49905408e-05] [-5.46157004e-04 1.53979906e-04 1.53979906e-04] [-5.54859974e-04 1.40626409e-04 -1.40626409e-04] [-5.54859974e-04 -1.40626409e-04 1.40626409e-04] [-5.46157004e-04 -1.53979906e-04 -1.53979906e-04] [ 5.54859974e-04 -1.40626409e-04 1.40626409e-04] [ 5.46157004e-04 -1.53979906e-04 -1.53979905e-04] [ 5.54859974e-04 1.40626409e-04 -1.40626409e-04] [ 5.46157004e-04 1.53979905e-04 1.53979906e-04] [-5.46157004e-04 1.53979905e-04 1.53979905e-04] [-5.54859974e-04 1.40626409e-04 -1.40626409e-04] [-5.54859974e-04 -1.40626409e-04 1.40626409e-04] [-5.46157004e-04 -1.53979905e-04 -1.53979906e-04] [ 5.54859974e-04 -1.40626409e-04 1.40626409e-04] [ 5.46157003e-04 -1.53979905e-04 -1.53979906e-04] [ 5.54859974e-04 1.40626409e-04 -1.40626408e-04] [ 5.46157004e-04 1.53979905e-04 1.53979905e-04] [ 8.66737238e-14 3.13624127e-13 1.00384978e-13] [-1.67583983e-14 -1.34784125e-13 1.33284278e-13] [-3.38062911e-14 -3.35476881e-04 -3.35476876e-04] [ 1.66200387e-13 -2.75059135e-04 2.75059138e-04] [-4.27990976e-14 2.75059134e-04 -2.75059139e-04] [ 9.60342916e-15 3.35476880e-04 3.35476877e-04] [-5.12073087e-05 -3.11040020e-05 -1.24723120e-05] [-5.12073091e-05 3.11040005e-05 1.24723116e-05] [ 5.12073086e-05 -3.11040022e-05 -1.24723120e-05] [ 5.12073092e-05 3.11040004e-05 1.24723117e-05] [-5.12073119e-05 -1.24723085e-05 -3.11040013e-05] [ 5.12073121e-05 -1.24723084e-05 -3.11040013e-05] [-5.12073137e-05 1.24723071e-05 3.11040010e-05] [ 5.12073138e-05 1.24723072e-05 3.11040011e-05] [ 2.87040018e-14 -3.35476876e-04 -3.35476881e-04] [-1.77944220e-13 -2.75059138e-04 2.75059136e-04] [ 2.22319453e-14 2.75059139e-04 -2.75059134e-04] [-2.11409175e-14 3.35476877e-04 3.35476880e-04] [-5.12073129e-05 -3.11040004e-05 -1.24723078e-05] [-5.12073130e-05 3.11040018e-05 1.24723076e-05] [ 5.12073130e-05 -3.11040004e-05 -1.24723079e-05] [ 5.12073132e-05 3.11040020e-05 1.24723078e-05] [-5.12073098e-05 -1.24723111e-05 -3.11040012e-05] [ 5.12073099e-05 -1.24723112e-05 -3.11040012e-05] [-5.12073080e-05 1.24723124e-05 3.11040014e-05] [ 5.12073082e-05 1.24723124e-05 3.11040013e-05]] Final stress: [-4.70294278e-06 -4.88671261e-06 -4.88671261e-06 5.21063750e-05 -4.06650074e-17 5.18793264e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.23816742e-05 1.12576615e-13 -2.20518048e-14] [-6.23816744e-05 1.04360964e-13 1.01044173e-13] [-8.30863156e-14 5.46552351e-05 -5.30573849e-04] [-5.29021271e-14 -5.46552348e-05 5.30573849e-04] [-3.47499807e-14 -5.30573849e-04 5.46552350e-05] [ 7.36771755e-14 5.30573849e-04 -5.46552348e-05] [ 6.23816743e-05 6.76792553e-14 -6.48821734e-14] [-6.23816742e-05 3.03814387e-14 -2.96492702e-15] [-2.56445969e-15 5.46552352e-05 -5.30573849e-04] [ 2.83692612e-14 -5.46552351e-05 5.30573849e-04] [-5.38110631e-14 -5.30573849e-04 5.46552350e-05] [-6.97827077e-14 5.30573849e-04 -5.46552350e-05] [ 5.32373616e-04 -1.61522232e-04 -1.61522232e-04] [ 5.25706480e-04 -1.72711593e-04 1.72711593e-04] [ 5.25706480e-04 1.72711593e-04 -1.72711593e-04] [ 5.32373616e-04 1.61522232e-04 1.61522232e-04] [-5.25706480e-04 1.72711593e-04 -1.72711593e-04] [-5.32373616e-04 1.61522232e-04 1.61522232e-04] [-5.25706480e-04 -1.72711593e-04 1.72711593e-04] [-5.32373616e-04 -1.61522232e-04 -1.61522232e-04] [ 5.32373616e-04 -1.61522232e-04 -1.61522232e-04] [ 5.25706480e-04 -1.72711593e-04 1.72711593e-04] [ 5.25706480e-04 1.72711593e-04 -1.72711593e-04] [ 5.32373616e-04 1.61522232e-04 1.61522232e-04] [-5.25706480e-04 1.72711593e-04 -1.72711593e-04] [-5.32373616e-04 1.61522232e-04 1.61522232e-04] [-5.25706480e-04 -1.72711593e-04 1.72711593e-04] [-5.32373616e-04 -1.61522232e-04 -1.61522232e-04] [ 1.76039738e-14 -2.56461519e-14 1.04950770e-13] [-2.82274667e-13 1.47979070e-13 -3.86524113e-14] [-3.83026943e-14 2.76263045e-04 2.76263046e-04] [ 4.05786516e-14 3.36692946e-04 -3.36692944e-04] [-4.64628336e-14 -3.36692945e-04 3.36692944e-04] [-1.29452005e-13 -2.76263045e-04 -2.76263047e-04] [-5.05272551e-05 5.89502671e-05 -1.30704804e-05] [-5.05272544e-05 -5.89502668e-05 1.30704807e-05] [ 5.05272550e-05 5.89502671e-05 -1.30704803e-05] [ 5.05272546e-05 -5.89502668e-05 1.30704807e-05] [-5.05272567e-05 -1.30704785e-05 5.89502670e-05] [ 5.05272562e-05 -1.30704791e-05 5.89502670e-05] [-5.05272563e-05 1.30704784e-05 -5.89502668e-05] [ 5.05272559e-05 1.30704791e-05 -5.89502667e-05] [-4.67327660e-14 2.76263047e-04 2.76263045e-04] [ 1.30036321e-13 3.36692944e-04 -3.36692946e-04] [ 1.16217035e-13 -3.36692945e-04 3.36692945e-04] [ 2.07649862e-14 -2.76263047e-04 -2.76263045e-04] [-5.05272561e-05 5.89502668e-05 -1.30704793e-05] [-5.05272560e-05 -5.89502669e-05 1.30704790e-05] [ 5.05272567e-05 5.89502666e-05 -1.30704787e-05] [ 5.05272569e-05 -5.89502669e-05 1.30704787e-05] [-5.05272549e-05 -1.30704803e-05 5.89502669e-05] [ 5.05272549e-05 -1.30704805e-05 5.89502668e-05] [-5.05272551e-05 1.30704800e-05 -5.89502671e-05] [ 5.05272551e-05 1.30704804e-05 -5.89502670e-05]] Final stress: [-4.70007286e-06 -4.88116810e-06 -4.88116810e-06 -5.19507969e-05 1.27444972e-16 1.27864198e-17] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.54112118e-05 -1.28064226e-13 5.32090562e-04] [-5.54112115e-05 2.33285613e-14 -5.32090562e-04] [ 1.43357548e-14 6.31994832e-05 -7.08461068e-14] [ 1.05332409e-14 -6.31994830e-05 -1.38777878e-14] [ 5.32090562e-04 -2.47857290e-14 5.54112120e-05] [-5.32090562e-04 -4.70457007e-15 -5.54112115e-05] [ 5.54112118e-05 -3.21192928e-14 5.32090562e-04] [-5.54112120e-05 2.77717641e-14 -5.32090562e-04] [-1.50012493e-13 6.31994827e-05 6.46098549e-14] [-3.09614747e-13 -6.31994833e-05 -9.16903137e-14] [ 5.32090562e-04 -1.15201822e-13 5.54112115e-05] [-5.32090562e-04 3.08385723e-14 -5.54112121e-05] [ 1.75311964e-04 -5.26414466e-04 1.75311964e-04] [ 1.64479419e-04 -5.32788877e-04 -1.64479419e-04] [-1.75311964e-04 -5.26414465e-04 -1.75311964e-04] [-1.64479418e-04 -5.32788877e-04 1.64479418e-04] [-1.64479419e-04 5.32788877e-04 1.64479419e-04] [-1.75311964e-04 5.26414466e-04 -1.75311964e-04] [ 1.75311964e-04 5.26414466e-04 1.75311964e-04] [ 1.64479419e-04 5.32788877e-04 -1.64479419e-04] [ 1.75311965e-04 -5.26414466e-04 1.75311965e-04] [ 1.64479419e-04 -5.32788877e-04 -1.64479419e-04] [-1.75311964e-04 -5.26414466e-04 -1.75311965e-04] [-1.64479419e-04 -5.32788877e-04 1.64479418e-04] [-1.64479419e-04 5.32788877e-04 1.64479419e-04] [-1.75311964e-04 5.26414466e-04 -1.75311964e-04] [ 1.75311965e-04 5.26414465e-04 1.75311964e-04] [ 1.64479418e-04 5.32788877e-04 -1.64479419e-04] [ 1.47139245e-13 -5.82173199e-14 -2.95735658e-14] [ 8.18203656e-14 3.31144300e-14 3.89655683e-13] [-6.68836080e-05 -5.03872239e-05 -1.34937767e-05] [-6.68836078e-05 5.03872243e-05 -1.34937763e-05] [ 6.68836090e-05 -5.03872229e-05 1.34937775e-05] [ 6.68836089e-05 5.03872230e-05 1.34937773e-05] [-3.37249094e-04 -5.66768854e-14 -3.37249085e-04] [ 2.76493859e-04 2.11497486e-13 -2.76493863e-04] [-2.76493856e-04 8.14348589e-14 2.76493866e-04] [ 3.37249091e-04 1.79245507e-13 3.37249086e-04] [-1.34937696e-05 -5.03872309e-05 -6.68836076e-05] [ 1.34937710e-05 -5.03872296e-05 6.68836092e-05] [-1.34937697e-05 5.03872311e-05 -6.68836077e-05] [ 1.34937709e-05 5.03872296e-05 6.68836091e-05] [-6.68836090e-05 -5.03872290e-05 -1.34937715e-05] [-6.68836090e-05 5.03872288e-05 -1.34937716e-05] [ 6.68836080e-05 -5.03872314e-05 1.34937699e-05] [ 6.68836080e-05 5.03872317e-05 1.34937696e-05] [-3.37249086e-04 1.01825456e-14 -3.37249092e-04] [ 2.76493863e-04 -1.24101371e-13 -2.76493858e-04] [-2.76493865e-04 6.80827780e-15 2.76493857e-04] [ 3.37249086e-04 -1.46591136e-13 3.37249093e-04] [-1.34937770e-05 -5.03872235e-05 -6.68836092e-05] [ 1.34937764e-05 -5.03872241e-05 6.68836072e-05] [-1.34937775e-05 5.03872231e-05 -6.68836091e-05] [ 1.34937767e-05 5.03872238e-05 6.68836078e-05]] Final stress: [-4.88328403e-06 -4.70326313e-06 -4.88328403e-06 -6.45609395e-17 5.19327734e-05 7.92338803e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.45357827e-05 -1.85684801e-14 -5.26162107e-04] [-5.45357827e-05 -1.90125693e-14 5.26162107e-04] [ 8.25312041e-14 6.22210821e-05 6.17006446e-14] [ 5.42760281e-14 -6.22210828e-05 -1.21014310e-14] [-5.26162107e-04 -5.03763697e-15 5.45357830e-05] [ 5.26162107e-04 6.08818551e-14 -5.45357825e-05] [ 5.45357827e-05 1.45474338e-14 -5.26162107e-04] [-5.45357827e-05 3.87081860e-15 5.26162107e-04] [-2.54413503e-14 6.22210829e-05 1.64643113e-14] [-9.27869706e-14 -6.22210823e-05 1.56070970e-14] [-5.26162107e-04 6.79857376e-14 5.45357825e-05] [ 5.26162107e-04 -1.55126427e-14 -5.45357829e-05] [-1.55364408e-04 5.36642632e-04 -1.55364408e-04] [-1.66575318e-04 5.29911095e-04 1.66575318e-04] [ 1.55364408e-04 5.36642632e-04 1.55364408e-04] [ 1.66575319e-04 5.29911094e-04 -1.66575319e-04] [ 1.66575319e-04 -5.29911095e-04 -1.66575319e-04] [ 1.55364408e-04 -5.36642632e-04 1.55364408e-04] [-1.55364408e-04 -5.36642632e-04 -1.55364408e-04] [-1.66575319e-04 -5.29911094e-04 1.66575319e-04] [-1.55364408e-04 5.36642632e-04 -1.55364408e-04] [-1.66575319e-04 5.29911094e-04 1.66575319e-04] [ 1.55364408e-04 5.36642632e-04 1.55364408e-04] [ 1.66575318e-04 5.29911095e-04 -1.66575319e-04] [ 1.66575318e-04 -5.29911095e-04 -1.66575318e-04] [ 1.55364408e-04 -5.36642632e-04 1.55364408e-04] [-1.55364408e-04 -5.36642632e-04 -1.55364408e-04] [-1.66575319e-04 -5.29911095e-04 1.66575319e-04] [ 3.02119441e-13 4.09478007e-13 -2.38573050e-13] [-2.54086076e-13 -5.29766748e-13 1.07943161e-13] [ 4.26278684e-05 -5.04849207e-05 -1.36550189e-05] [ 4.26278685e-05 5.04849196e-05 -1.36550204e-05] [-4.26278682e-05 -5.04849193e-05 1.36550200e-05] [-4.26278680e-05 5.04849186e-05 1.36550210e-05] [ 2.80599480e-04 -4.77395901e-13 2.80599486e-04] [-3.41603139e-04 -6.32882635e-13 3.41603135e-04] [ 3.41603140e-04 -5.38513678e-13 -3.41603135e-04] [-2.80599481e-04 -5.41566791e-13 -2.80599485e-04] [-1.36550159e-05 -5.04849237e-05 4.26278686e-05] [ 1.36550170e-05 -5.04849225e-05 -4.26278681e-05] [-1.36550173e-05 5.04849227e-05 4.26278687e-05] [ 1.36550181e-05 5.04849216e-05 -4.26278679e-05] [ 4.26278679e-05 -5.04849223e-05 -1.36550174e-05] [ 4.26278681e-05 5.04849234e-05 -1.36550161e-05] [-4.26278685e-05 -5.04849231e-05 1.36550165e-05] [-4.26278685e-05 5.04849239e-05 1.36550158e-05] [ 2.80599484e-04 3.98708298e-13 2.80599482e-04] [-3.41603137e-04 6.66604436e-13 3.41603138e-04] [ 3.41603135e-04 6.33830152e-13 -3.41603139e-04] [-2.80599484e-04 6.26878399e-13 -2.80599481e-04] [-1.36550214e-05 -5.04849186e-05 4.26278679e-05] [ 1.36550215e-05 -5.04849184e-05 -4.26278685e-05] [-1.36550200e-05 5.04849196e-05 4.26278677e-05] [ 1.36550200e-05 5.04849192e-05 -4.26278686e-05]] Final stress: [-4.88073559e-06 -4.70099158e-06 -4.88073560e-06 -7.29454771e-17 -5.19985629e-05 -3.28045034e-17] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.77800275e-05 5.50770707e-04 -7.25391969e-14] [-4.77800276e-05 -5.50770707e-04 -6.11316553e-14] [ 5.50770707e-04 4.77800274e-05 -5.10147480e-14] [-5.50770707e-04 -4.77800280e-05 -5.56638069e-14] [ 1.70002901e-13 6.85285162e-14 5.50420686e-05] [-1.82909243e-14 1.11397003e-13 -5.50420686e-05] [ 4.77800275e-05 5.50770707e-04 8.68237875e-14] [-4.77800276e-05 -5.50770707e-04 3.01384894e-14] [ 5.50770707e-04 4.77800281e-05 1.32443893e-15] [-5.50770707e-04 -4.77800275e-05 1.62248212e-14] [ 1.13781668e-14 3.87420985e-14 5.50420684e-05] [ 9.24692587e-14 3.60048092e-14 -5.50420685e-05] [ 1.74589412e-04 1.74589412e-04 -4.95157044e-04] [-1.74589412e-04 -1.74589411e-04 -4.95157044e-04] [ 1.62272281e-04 -1.62272281e-04 -5.02449769e-04] [-1.62272281e-04 1.62272281e-04 -5.02449769e-04] [ 1.74589412e-04 1.74589412e-04 4.95157044e-04] [-1.74589411e-04 -1.74589411e-04 4.95157044e-04] [-1.62272281e-04 1.62272281e-04 5.02449768e-04] [ 1.62272281e-04 -1.62272281e-04 5.02449769e-04] [ 1.74589411e-04 1.74589411e-04 -4.95157045e-04] [-1.74589412e-04 -1.74589412e-04 -4.95157044e-04] [ 1.62272281e-04 -1.62272281e-04 -5.02449768e-04] [-1.62272281e-04 1.62272281e-04 -5.02449769e-04] [ 1.74589411e-04 1.74589411e-04 4.95157044e-04] [-1.74589412e-04 -1.74589412e-04 4.95157044e-04] [-1.62272281e-04 1.62272281e-04 5.02449769e-04] [ 1.62272281e-04 -1.62272281e-04 5.02449769e-04] [ 1.07872045e-13 4.89303043e-13 -2.11906881e-13] [-1.95588769e-14 -4.64585186e-13 2.13935422e-13] [-3.38235416e-05 -9.16056837e-06 -5.11879753e-05] [ 3.38235413e-05 9.16056763e-06 -5.11879765e-05] [-3.38235415e-05 -9.16056904e-06 5.11879747e-05] [ 3.38235413e-05 9.16056834e-06 5.11879758e-05] [-9.16056403e-06 -3.38235420e-05 -5.11879797e-05] [-9.16056415e-06 -3.38235418e-05 5.11879797e-05] [ 9.16056368e-06 3.38235411e-05 -5.11879802e-05] [ 9.16056375e-06 3.38235410e-05 5.11879801e-05] [-3.26983508e-04 -3.26983506e-04 -2.21600516e-13] [-2.70126781e-04 2.70126783e-04 -1.65201186e-13] [ 2.70126781e-04 -2.70126783e-04 -1.23068222e-13] [ 3.26983508e-04 3.26983505e-04 -2.73503442e-13] [-3.38235415e-05 -9.16056454e-06 -5.11879795e-05] [ 3.38235415e-05 9.16056471e-06 -5.11879789e-05] [-3.38235415e-05 -9.16056452e-06 5.11879795e-05] [ 3.38235416e-05 9.16056475e-06 5.11879791e-05] [-9.16056819e-06 -3.38235410e-05 -5.11879757e-05] [-9.16056744e-06 -3.38235411e-05 5.11879763e-05] [ 9.16056788e-06 3.38235417e-05 -5.11879759e-05] [ 9.16056723e-06 3.38235419e-05 5.11879765e-05] [-3.26983505e-04 -3.26983509e-04 2.25019544e-13] [-2.70126784e-04 2.70126780e-04 1.90983278e-13] [ 2.70126785e-04 -2.70126779e-04 5.68096905e-14] [ 3.26983504e-04 3.26983509e-04 2.77286903e-13]] Final stress: [-4.85777064e-06 -4.85777063e-06 -4.66801532e-06 3.14420160e-17 -2.51536128e-17 5.19089548e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.88571852e-05 -4.64372138e-04 -2.93653990e-14] [-5.88571860e-05 4.64372138e-04 -1.36973766e-13] [-4.64372138e-04 5.88571853e-05 -4.18831636e-14] [ 4.64372138e-04 -5.88571860e-05 2.73114864e-14] [ 6.97220059e-14 1.44731449e-13 6.67339473e-05] [ 6.25610674e-14 2.99760217e-14 -6.67339471e-05] [ 5.88571862e-05 -4.64372138e-04 -1.34980537e-13] [-5.88571853e-05 4.64372138e-04 -5.08022986e-14] [-4.64372138e-04 5.88571861e-05 7.16736545e-14] [ 4.64372138e-04 -5.88571854e-05 1.67048450e-16] [-3.91839120e-15 -3.48836939e-14 6.67339470e-05] [ 5.66257924e-14 -4.12324255e-14 -6.67339473e-05] [-1.21253284e-04 -1.21253283e-04 5.89453288e-04] [ 1.21253284e-04 1.21253284e-04 5.89453287e-04] [-1.35429006e-04 1.35429006e-04 5.79702618e-04] [ 1.35429006e-04 -1.35429006e-04 5.79702617e-04] [-1.21253284e-04 -1.21253283e-04 -5.89453288e-04] [ 1.21253284e-04 1.21253284e-04 -5.89453287e-04] [ 1.35429006e-04 -1.35429006e-04 -5.79702617e-04] [-1.35429006e-04 1.35429006e-04 -5.79702617e-04] [-1.21253284e-04 -1.21253284e-04 5.89453287e-04] [ 1.21253283e-04 1.21253283e-04 5.89453288e-04] [-1.35429006e-04 1.35429006e-04 5.79702617e-04] [ 1.35429006e-04 -1.35429006e-04 5.79702618e-04] [-1.21253284e-04 -1.21253284e-04 -5.89453287e-04] [ 1.21253284e-04 1.21253283e-04 -5.89453288e-04] [ 1.35429006e-04 -1.35429006e-04 -5.79702617e-04] [-1.35429006e-04 1.35429006e-04 -5.79702617e-04] [ 5.40949230e-13 5.49338353e-13 -2.68715605e-13] [-5.28562651e-13 -5.27711937e-13 6.28556775e-14] [ 1.06912705e-05 -1.47411705e-05 -5.12631146e-05] [-1.06912720e-05 1.47411700e-05 -5.12631155e-05] [ 1.06912703e-05 -1.47411704e-05 5.12631146e-05] [-1.06912720e-05 1.47411694e-05 5.12631161e-05] [-1.47411707e-05 1.06912706e-05 -5.12631145e-05] [-1.47411699e-05 1.06912708e-05 5.12631150e-05] [ 1.47411691e-05 -1.06912720e-05 -5.12631163e-05] [ 1.47411684e-05 -1.06912718e-05 5.12631169e-05] [ 2.81757516e-04 2.81757518e-04 4.05064871e-13] [ 3.44643177e-04 -3.44643178e-04 3.42170736e-13] [-3.44643179e-04 3.44643175e-04 1.35169653e-13] [-2.81757516e-04 -2.81757517e-04 1.21791466e-13] [ 1.06912721e-05 -1.47411685e-05 -5.12631169e-05] [-1.06912705e-05 1.47411692e-05 -5.12631157e-05] [ 1.06912722e-05 -1.47411690e-05 5.12631166e-05] [-1.06912705e-05 1.47411703e-05 5.12631150e-05] [-1.47411694e-05 1.06912719e-05 -5.12631159e-05] [-1.47411699e-05 1.06912716e-05 5.12631156e-05] [ 1.47411706e-05 -1.06912705e-05 -5.12631140e-05] [ 1.47411710e-05 -1.06912708e-05 5.12631139e-05] [ 2.81757517e-04 2.81757516e-04 -3.35328916e-13] [ 3.44643178e-04 -3.44643176e-04 -3.63396265e-13] [-3.44643176e-04 3.44643179e-04 -1.57584582e-13] [-2.81757517e-04 -2.81757517e-04 -1.73346005e-13]] Final stress: [-4.90276555e-06 -4.90276555e-06 -4.72318759e-06 9.64221824e-18 4.94687719e-17 -5.22761059e-05] Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-6.27753527e-04 -3.37105344e-13 6.76070311e-13] [ 6.27753524e-04 -1.63508096e-13 2.67771916e-13] [ 6.60457800e-13 5.65528490e-05 -1.41404578e-06] [ 3.54924423e-13 -5.65528489e-05 1.41404684e-06] [-2.12163620e-13 -1.41404643e-06 5.65528461e-05] [ 8.70914452e-13 1.41404677e-06 -5.65528523e-05] [-6.27753525e-04 3.84052899e-13 -4.41358314e-13] [ 6.27753527e-04 -3.08884496e-13 -3.77352419e-13] [-3.15937106e-13 5.65528485e-05 -1.41404711e-06] [ 2.24485415e-13 -5.65528487e-05 1.41404580e-06] [ 4.29813189e-13 -1.41404651e-06 5.65528526e-05] [-5.68731646e-13 1.41404641e-06 -5.65528463e-05] [ 2.69582406e-04 2.76463567e-04 2.76463566e-04] [-3.14198610e-04 -5.68355489e-05 5.68355486e-05] [-3.14198608e-04 5.68355446e-05 -5.68355460e-05] [ 2.69582401e-04 -2.76463562e-04 -2.76463564e-04] [ 3.14198607e-04 5.68355461e-05 -5.68355474e-05] [-2.69582400e-04 -2.76463562e-04 -2.76463562e-04] [ 3.14198612e-04 -5.68355498e-05 5.68355490e-05] [-2.69582404e-04 2.76463564e-04 2.76463565e-04] [ 2.69582400e-04 2.76463560e-04 2.76463562e-04] [-3.14198608e-04 -5.68355463e-05 5.68355465e-05] [-3.14198611e-04 5.68355498e-05 -5.68355499e-05] [ 2.69582404e-04 -2.76463564e-04 -2.76463564e-04] [ 3.14198611e-04 5.68355489e-05 -5.68355480e-05] [-2.69582405e-04 -2.76463567e-04 -2.76463567e-04] [ 3.14198606e-04 -5.68355453e-05 5.68355455e-05] [-2.69582402e-04 2.76463563e-04 2.76463564e-04] [ 2.47321608e-12 -5.65866798e-13 4.76304413e-12] [-1.38268950e-12 -1.27839195e-13 -4.96812236e-12] [-2.84150481e-12 6.75436992e-04 6.75436990e-04] [-1.10972342e-12 5.14709669e-04 -5.14709677e-04] [-3.15114601e-12 -5.14709683e-04 5.14709665e-04] [-2.98627789e-12 -6.75436984e-04 -6.75436993e-04] [-1.77119293e-04 -6.68068238e-05 -1.21219168e-04] [-1.77119302e-04 6.68068232e-05 1.21219162e-04] [ 1.77119289e-04 -6.68068248e-05 -1.21219173e-04] [ 1.77119301e-04 6.68068225e-05 1.21219164e-04] [-1.77119296e-04 -1.21219166e-04 -6.68068295e-05] [ 1.77119293e-04 -1.21219171e-04 -6.68068275e-05] [-1.77119300e-04 1.21219163e-04 6.68068185e-05] [ 1.77119295e-04 1.21219170e-04 6.68068196e-05] [ 2.29743786e-12 6.75436985e-04 6.75436993e-04] [ 7.13993057e-13 5.14709681e-04 -5.14709668e-04] [ 3.60138866e-12 -5.14709669e-04 5.14709677e-04] [ 2.38428544e-12 -6.75436992e-04 -6.75436988e-04] [-1.77119300e-04 -6.68068222e-05 -1.21219166e-04] [-1.77119291e-04 6.68068241e-05 1.21219172e-04] [ 1.77119306e-04 -6.68068217e-05 -1.21219158e-04] [ 1.77119294e-04 6.68068262e-05 1.21219167e-04] [-1.77119295e-04 -1.21219169e-04 -6.68068176e-05] [ 1.77119297e-04 -1.21219165e-04 -6.68068197e-05] [-1.77119292e-04 1.21219172e-04 6.68068295e-05] [ 1.77119296e-04 1.21219167e-04 6.68068279e-05]] Final stress: [ 5.19837283e-06 9.82973909e-06 9.82973909e-06 1.60349272e-05 -3.34949189e-16 -3.54232871e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-6.33573392e-04 1.75262582e-13 2.25139352e-13] [ 6.33573392e-04 7.21547821e-13 -1.56527569e-13] [ 4.81267803e-13 6.09991526e-05 -3.18153707e-06] [ 2.94528291e-13 -6.09991517e-05 3.18153765e-06] [-3.07948111e-14 -3.18153809e-06 6.09991515e-05] [ 4.14515644e-13 3.18153738e-06 -6.09991530e-05] [-6.33573392e-04 2.36269353e-13 6.36303748e-14] [ 6.33573392e-04 1.86024807e-13 1.85409969e-13] [ 2.52332247e-13 6.09991520e-05 -3.18153778e-06] [ 7.62249964e-14 -6.09991519e-05 3.18153817e-06] [-3.08040784e-13 -3.18153778e-06 6.09991525e-05] [-4.44867714e-13 3.18153751e-06 -6.09991528e-05] [ 3.17528743e-04 6.20047242e-05 6.20047239e-05] [-2.70031051e-04 -2.73893521e-04 2.73893521e-04] [-2.70031051e-04 2.73893520e-04 -2.73893521e-04] [ 3.17528744e-04 -6.20047246e-05 -6.20047243e-05] [ 2.70031051e-04 2.73893520e-04 -2.73893520e-04] [-3.17528742e-04 -6.20047232e-05 -6.20047232e-05] [ 2.70031051e-04 -2.73893520e-04 2.73893520e-04] [-3.17528742e-04 6.20047230e-05 6.20047232e-05] [ 3.17528742e-04 6.20047225e-05 6.20047232e-05] [-2.70031050e-04 -2.73893520e-04 2.73893520e-04] [-2.70031051e-04 2.73893521e-04 -2.73893521e-04] [ 3.17528742e-04 -6.20047233e-05 -6.20047230e-05] [ 2.70031052e-04 2.73893521e-04 -2.73893521e-04] [-3.17528743e-04 -6.20047245e-05 -6.20047248e-05] [ 2.70031050e-04 -2.73893521e-04 2.73893521e-04] [-3.17528744e-04 6.20047246e-05 6.20047254e-05] [ 9.73950087e-13 -7.13012982e-13 9.39276434e-13] [ 1.29175954e-13 -1.05659783e-14 6.63407203e-13] [-4.63518113e-14 -5.10259442e-04 -5.10259552e-04] [ 8.87900864e-13 -6.77180213e-04 6.77180111e-04] [ 5.12034859e-13 6.77180213e-04 -6.77180110e-04] [-8.33944025e-13 5.10259451e-04 5.10259544e-04] [-1.74257806e-04 6.65028460e-05 -1.23534420e-04] [-1.74257804e-04 -6.65028432e-05 1.23534422e-04] [ 1.74257808e-04 6.65028469e-05 -1.23534418e-04] [ 1.74257805e-04 -6.65028437e-05 1.23534421e-04] [-1.74257705e-04 -1.23534522e-04 6.65028426e-05] [ 1.74257704e-04 -1.23534522e-04 6.65028442e-05] [-1.74257704e-04 1.23534522e-04 -6.65028450e-05] [ 1.74257702e-04 1.23534524e-04 -6.65028441e-05] [ 1.23599769e-13 -5.10259547e-04 -5.10259447e-04] [-9.33907723e-13 -6.77180112e-04 6.77180212e-04] [-4.36547237e-14 6.77180108e-04 -6.77180216e-04] [-7.40402779e-14 5.10259549e-04 5.10259446e-04] [-1.74257705e-04 6.65028430e-05 -1.23534522e-04] [-1.74257701e-04 -6.65028456e-05 1.23534525e-04] [ 1.74257707e-04 6.65028429e-05 -1.23534519e-04] [ 1.74257701e-04 -6.65028448e-05 1.23534524e-04] [-1.74257803e-04 -1.23534422e-04 6.65028454e-05] [ 1.74257802e-04 -1.23534423e-04 6.65028447e-05] [-1.74257809e-04 1.23534417e-04 -6.65028445e-05] [ 1.74257807e-04 1.23534419e-04 -6.65028438e-05]] Final stress: [ 5.18610675e-06 9.82583774e-06 9.82583774e-06 -1.60332422e-05 -1.84452619e-17 3.75298199e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 8.74376866e-04 -4.30960823e-13 -4.80920859e-13] [-8.74376867e-04 -4.39773218e-13 2.14869789e-13] [ 6.98788249e-13 -7.67009126e-05 2.29765152e-05] [-3.09391401e-13 7.67009081e-05 -2.29765160e-05] [ 2.09554596e-14 2.29765157e-05 -7.67009117e-05] [-5.92456639e-13 -2.29765147e-05 7.67009069e-05] [ 8.74376867e-04 -3.09746156e-14 5.46076409e-13] [-8.74376867e-04 3.38071259e-13 -4.46916687e-13] [ 3.02783155e-13 -7.67009073e-05 2.29765154e-05] [ 6.41837725e-13 7.67009123e-05 -2.29765153e-05] [ 3.40028381e-13 2.29765157e-05 -7.67009083e-05] [ 4.30888615e-13 -2.29765158e-05 7.67009111e-05] [-6.24672488e-04 -4.25257701e-04 -4.25257701e-04] [ 3.67062742e-04 3.00971664e-04 -3.00971665e-04] [ 3.67062741e-04 -3.00971663e-04 3.00971662e-04] [-6.24672492e-04 4.25257704e-04 4.25257705e-04] [-3.67062740e-04 -3.00971663e-04 3.00971663e-04] [ 6.24672490e-04 4.25257701e-04 4.25257701e-04] [-3.67062742e-04 3.00971662e-04 -3.00971663e-04] [ 6.24672487e-04 -4.25257700e-04 -4.25257700e-04] [-6.24672490e-04 -4.25257703e-04 -4.25257701e-04] [ 3.67062741e-04 3.00971663e-04 -3.00971661e-04] [ 3.67062741e-04 -3.00971662e-04 3.00971663e-04] [-6.24672487e-04 4.25257700e-04 4.25257700e-04] [-3.67062742e-04 -3.00971664e-04 3.00971666e-04] [ 6.24672488e-04 4.25257701e-04 4.25257701e-04] [-3.67062740e-04 3.00971664e-04 -3.00971664e-04] [ 6.24672493e-04 -4.25257704e-04 -4.25257702e-04] [ 3.84151044e-13 2.53159299e-12 2.59974681e-12] [ 1.51746168e-12 -3.94674913e-12 -1.23714371e-12] [-2.44337883e-12 5.03357404e-04 5.03357336e-04] [-2.71899170e-12 6.23065535e-04 -6.23065619e-04] [-2.97206704e-12 -6.23065545e-04 6.23065608e-04] [-1.50995882e-12 -5.03357407e-04 -5.03357330e-04] [ 1.97711057e-04 -8.88550870e-06 1.95778370e-04] [ 1.97711039e-04 8.88549874e-06 -1.95778386e-04] [-1.97711056e-04 -8.88551055e-06 1.95778372e-04] [-1.97711042e-04 8.88549975e-06 -1.95778383e-04] [ 1.97711126e-04 1.95778303e-04 -8.88550970e-06] [-1.97711130e-04 1.95778299e-04 -8.88551093e-06] [ 1.97711111e-04 -1.95778313e-04 8.88549954e-06] [-1.97711116e-04 -1.95778309e-04 8.88550044e-06] [ 8.17301078e-13 5.03357331e-04 5.03357405e-04] [ 2.71603295e-12 6.23065627e-04 -6.23065526e-04] [ 9.01795505e-13 -6.23065598e-04 6.23065555e-04] [-7.91277058e-13 -5.03357338e-04 -5.03357405e-04] [ 1.97711121e-04 -8.88550030e-06 1.95778304e-04] [ 1.97711126e-04 8.88551052e-06 -1.95778302e-04] [-1.97711116e-04 -8.88549940e-06 1.95778311e-04] [-1.97711121e-04 8.88550960e-06 -1.95778308e-04] [ 1.97711044e-04 1.95778381e-04 -8.88550103e-06] [-1.97711043e-04 1.95778382e-04 -8.88549882e-06] [ 1.97711054e-04 -1.95778373e-04 8.88550811e-06] [-1.97711052e-04 -1.95778377e-04 8.88550866e-06]] Final stress: [-1.27914376e-05 -1.89975702e-05 -1.89975702e-05 1.64493463e-05 -9.35331693e-16 -2.44523626e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 8.74955566e-04 -4.16847112e-13 2.38226106e-13] [-8.74955570e-04 -1.03150821e-12 -4.98212582e-13] [ 6.54795662e-13 -7.56188491e-05 -2.48823585e-05] [ 7.31359417e-15 7.56188495e-05 2.48823583e-05] [-1.35433331e-13 -2.48823587e-05 -7.56188474e-05] [-2.68673972e-13 2.48823586e-05 7.56188504e-05] [ 8.74955570e-04 2.36260275e-13 3.34020222e-14] [-8.74955567e-04 -8.67410527e-14 -1.49322896e-13] [ 1.09622377e-13 -7.56188496e-05 -2.48823581e-05] [ 3.24235972e-13 7.56188493e-05 2.48823591e-05] [ 1.15282927e-13 -2.48823573e-05 -7.56188500e-05] [ 1.34906599e-14 2.48823587e-05 7.56188484e-05] [-3.68595829e-04 -3.01754841e-04 -3.01754842e-04] [ 6.26399127e-04 4.26469705e-04 -4.26469706e-04] [ 6.26399126e-04 -4.26469705e-04 4.26469704e-04] [-3.68595829e-04 3.01754840e-04 3.01754842e-04] [-6.26399126e-04 -4.26469704e-04 4.26469704e-04] [ 3.68595829e-04 3.01754841e-04 3.01754842e-04] [-6.26399126e-04 4.26469704e-04 -4.26469704e-04] [ 3.68595831e-04 -3.01754845e-04 -3.01754845e-04] [-3.68595828e-04 -3.01754841e-04 -3.01754841e-04] [ 6.26399126e-04 4.26469704e-04 -4.26469704e-04] [ 6.26399127e-04 -4.26469704e-04 4.26469704e-04] [-3.68595832e-04 3.01754844e-04 3.01754845e-04] [-6.26399127e-04 -4.26469705e-04 4.26469705e-04] [ 3.68595830e-04 3.01754841e-04 3.01754841e-04] [-6.26399126e-04 4.26469704e-04 -4.26469706e-04] [ 3.68595829e-04 -3.01754840e-04 -3.01754841e-04] [ 2.47208504e-12 -1.53884544e-12 -2.23193686e-12] [-1.13831060e-12 9.91106560e-13 1.89063791e-12] [-6.12099260e-12 -6.24140357e-04 -6.24140403e-04] [-4.42390569e-12 -5.01001398e-04 5.01001340e-04] [-5.59979840e-12 5.01001399e-04 -5.01001341e-04] [-4.57744953e-12 6.24140347e-04 6.24140413e-04] [ 1.97944289e-04 1.03397398e-05 1.94086825e-04] [ 1.97944292e-04 -1.03397386e-05 -1.94086823e-04] [-1.97944297e-04 1.03397384e-05 1.94086816e-04] [-1.97944299e-04 -1.03397417e-05 -1.94086814e-04] [ 1.97944341e-04 1.94086774e-04 1.03397415e-05] [-1.97944351e-04 1.94086762e-04 1.03397411e-05] [ 1.97944338e-04 -1.94086776e-04 -1.03397363e-05] [-1.97944349e-04 -1.94086763e-04 -1.03397379e-05] [ 5.33303590e-12 -6.24140402e-04 -6.24140357e-04] [ 3.84192329e-12 -5.01001347e-04 5.01001393e-04] [ 4.36390376e-12 5.01001345e-04 -5.01001394e-04] [ 4.36006071e-12 6.24140405e-04 6.24140355e-04] [ 1.97944355e-04 1.03397409e-05 1.94086758e-04] [ 1.97944350e-04 -1.03397377e-05 -1.94086762e-04] [-1.97944346e-04 1.03397410e-05 1.94086771e-04] [-1.97944338e-04 -1.03397364e-05 -1.94086776e-04] [ 1.97944293e-04 1.94086820e-04 1.03397387e-05] [-1.97944288e-04 1.94086827e-04 1.03397376e-05] [ 1.97944299e-04 -1.94086813e-04 -1.03397415e-05] [-1.97944289e-04 -1.94086825e-04 -1.03397417e-05]] Final stress: [-1.28008092e-05 -1.89942473e-05 -1.89942473e-05 -1.64438528e-05 -1.15291894e-15 -7.79478014e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.04190344e-04 -1.44190215e-14 4.07518467e-05] [ 7.04190345e-04 9.86655202e-13 -4.07518474e-05] [ 3.84275944e-13 1.31923533e-04 1.96065386e-13] [ 4.01165212e-13 -1.31923536e-04 5.99104100e-14] [ 4.15607509e-05 -4.44366766e-14 1.30949397e-04] [-4.15607503e-05 -7.91117172e-13 -1.30949398e-04] [-7.04190344e-04 7.03307772e-14 4.07518460e-05] [ 7.04190344e-04 1.05891804e-13 -4.07518465e-05] [-1.08587710e-12 1.31923535e-04 5.87705431e-13] [-6.00474260e-14 -1.31923534e-04 3.82469847e-13] [ 4.15607507e-05 -4.90677504e-13 1.30949398e-04] [-4.15607511e-05 -3.60458191e-14 -1.30949398e-04] [ 3.29121940e-04 1.08704878e-04 2.00141892e-04] [-2.77513839e-04 -2.44763143e-04 1.50790765e-04] [-3.29121941e-04 1.08704878e-04 -2.00141892e-04] [ 2.77513841e-04 -2.44763143e-04 -1.50790767e-04] [ 2.77513841e-04 2.44763143e-04 -1.50790767e-04] [-3.29121939e-04 -1.08704878e-04 -2.00141891e-04] [ 3.29121940e-04 -1.08704877e-04 2.00141891e-04] [-2.77513841e-04 2.44763143e-04 1.50790768e-04] [ 3.29121939e-04 1.08704878e-04 2.00141891e-04] [-2.77513842e-04 -2.44763142e-04 1.50790767e-04] [-3.29121939e-04 1.08704878e-04 -2.00141891e-04] [ 2.77513842e-04 -2.44763144e-04 -1.50790767e-04] [ 2.77513840e-04 2.44763142e-04 -1.50790766e-04] [-3.29121941e-04 -1.08704878e-04 -2.00141893e-04] [ 3.29121939e-04 -1.08704878e-04 2.00141893e-04] [-2.77513841e-04 2.44763143e-04 1.50790767e-04] [-1.77080572e-13 1.82460991e-12 3.31762395e-13] [-7.65922046e-13 -9.34973744e-13 7.08983043e-13] [-6.59526560e-05 1.01924616e-04 1.02298629e-04] [-6.59526544e-05 -1.01924616e-04 1.02298628e-04] [ 6.59526578e-05 1.01924609e-04 -1.02298635e-04] [ 6.59526585e-05 -1.01924611e-04 -1.02298632e-04] [ 4.69264577e-04 -3.08314485e-12 4.16343968e-04] [-7.00923120e-04 -1.54698476e-12 7.57109419e-04] [ 7.00923124e-04 -4.22545332e-12 -7.57109415e-04] [-4.69264577e-04 -2.92671443e-12 -4.16343969e-04] [-1.14485970e-04 -1.69409050e-04 -6.72058124e-05] [ 1.14485974e-04 -1.69409046e-04 6.72058118e-05] [-1.14485982e-04 1.69409039e-04 -6.72058148e-05] [ 1.14485984e-04 1.69409038e-04 6.72058097e-05] [-6.59526582e-05 1.01924577e-04 1.02298666e-04] [-6.59526598e-05 -1.01924570e-04 1.02298675e-04] [ 6.59526568e-05 1.01924578e-04 -1.02298664e-04] [ 6.59526555e-05 -1.01924566e-04 -1.02298679e-04] [ 4.69264613e-04 3.00821776e-12 4.16343932e-04] [-7.00923080e-04 1.37711186e-12 7.57109458e-04] [ 7.00923085e-04 4.20053478e-12 -7.57109455e-04] [-4.69264623e-04 3.18059071e-12 -4.16343923e-04] [-1.14486020e-04 -1.69409001e-04 -6.72058110e-05] [ 1.14486017e-04 -1.69409005e-04 6.72058115e-05] [-1.14486018e-04 1.69409003e-04 -6.72058097e-05] [ 1.14486016e-04 1.69409005e-04 6.72058125e-05]] Final stress: [ 4.53394177e-06 1.00362328e-05 9.97943839e-06 -6.07855223e-16 1.61269176e-05 1.07464611e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-6.74008796e-04 2.45636844e-15 -3.47482266e-05] [ 6.74008793e-04 3.23657767e-13 3.47482257e-05] [-1.32463485e-13 8.49765025e-05 -5.59205460e-13] [ 4.28421187e-13 -8.49765062e-05 1.24997235e-13] [-3.55154375e-05 -8.28503932e-14 8.39685142e-05] [ 3.55154364e-05 -1.10425558e-13 -8.39685109e-05] [-6.74008793e-04 1.09341845e-13 -3.47482251e-05] [ 6.74008797e-04 -3.55867272e-13 3.47482251e-05] [-3.39479571e-14 8.49765065e-05 2.11852818e-14] [ 3.33190249e-13 -8.49765024e-05 -9.52526971e-14] [-3.55154372e-05 -2.88977100e-13 8.39685107e-05] [ 3.55154373e-05 3.35447273e-13 -8.39685127e-05] [ 2.39038878e-04 2.19917103e-04 1.05088627e-04] [-3.84237463e-04 -1.35754120e-04 2.48045136e-04] [-2.39038881e-04 2.19917104e-04 -1.05088628e-04] [ 3.84237464e-04 -1.35754121e-04 -2.48045137e-04] [ 3.84237466e-04 1.35754123e-04 -2.48045140e-04] [-2.39038878e-04 -2.19917103e-04 -1.05088626e-04] [ 2.39038879e-04 -2.19917103e-04 1.05088627e-04] [-3.84237465e-04 1.35754120e-04 2.48045138e-04] [ 2.39038879e-04 2.19917102e-04 1.05088625e-04] [-3.84237466e-04 -1.35754123e-04 2.48045141e-04] [-2.39038879e-04 2.19917102e-04 -1.05088627e-04] [ 3.84237465e-04 -1.35754120e-04 -2.48045138e-04] [ 3.84237462e-04 1.35754119e-04 -2.48045136e-04] [-2.39038878e-04 -2.19917102e-04 -1.05088627e-04] [ 2.39038882e-04 -2.19917104e-04 1.05088628e-04] [-3.84237464e-04 1.35754121e-04 2.48045138e-04] [ 6.82114087e-13 2.23007030e-12 -3.04512665e-12] [-1.42203860e-12 -1.70992819e-12 1.20989937e-12] [ 7.46257983e-05 1.10366714e-04 1.10725420e-04] [ 7.46257982e-05 -1.10366719e-04 1.10725413e-04] [-7.46258084e-05 1.10366722e-04 -1.10725413e-04] [-7.46258077e-05 -1.10366727e-04 -1.10725406e-04] [-7.51093231e-04 -4.38626913e-12 -7.20135816e-04] [ 4.20995996e-04 -4.83640905e-12 -4.55361534e-04] [-4.20996000e-04 -5.31635846e-12 4.55361527e-04] [ 7.51093223e-04 -3.33527650e-12 7.20135826e-04] [-1.63714364e-04 -1.31407264e-04 7.59005865e-05] [ 1.63714354e-04 -1.31407277e-04 -7.59005802e-05] [-1.63714378e-04 1.31407253e-04 7.59005854e-05] [ 1.63714365e-04 1.31407268e-04 -7.59005798e-05] [ 7.46258103e-05 1.10366665e-04 1.10725467e-04] [ 7.46258108e-05 -1.10366656e-04 1.10725479e-04] [-7.46258002e-05 1.10366663e-04 -1.10725468e-04] [-7.46258020e-05 -1.10366651e-04 -1.10725482e-04] [-7.51093158e-04 3.73680989e-12 -7.20135891e-04] [ 4.20996063e-04 4.17205647e-12 -4.55361463e-04] [-4.20996062e-04 5.28429015e-12 4.55361469e-04] [ 7.51093179e-04 4.81665338e-12 7.20135869e-04] [-1.63714427e-04 -1.31407206e-04 7.59005777e-05] [ 1.63714434e-04 -1.31407198e-04 -7.59005826e-05] [-1.63714421e-04 1.31407210e-04 7.59005793e-05] [ 1.63714427e-04 1.31407203e-04 -7.59005827e-05]] Final stress: [ 5.06629887e-06 9.86540882e-06 9.80753782e-06 1.16938769e-15 -1.60315877e-05 5.89095553e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 8.59405467e-04 1.27245436e-13 1.79390335e-05] [-8.59405471e-04 1.19923516e-12 -1.79390351e-05] [ 5.46188095e-13 -6.40158470e-05 2.30190866e-13] [-4.28823643e-14 6.40158465e-05 1.02307052e-13] [ 1.71095121e-05 -2.30510055e-14 -6.49055040e-05] [-1.71095122e-05 2.41195952e-13 6.49055017e-05] [ 8.59405468e-04 2.07851620e-13 1.79390358e-05] [-8.59405468e-04 -3.42119914e-13 -1.79390362e-05] [ 1.39961614e-13 -6.40158488e-05 8.81726797e-13] [ 1.14584842e-12 6.40158462e-05 1.14460445e-12] [ 1.71095104e-05 -2.94213486e-14 -6.49055007e-05] [-1.71095109e-05 -7.80443933e-13 6.49055042e-05] [-5.38724735e-04 -4.73905515e-04 -4.01662768e-04] [ 4.41902670e-04 2.32345038e-04 -3.07003429e-04] [ 5.38724736e-04 -4.73905519e-04 4.01662767e-04] [-4.41902668e-04 2.32345037e-04 3.07003427e-04] [-4.41902670e-04 -2.32345037e-04 3.07003428e-04] [ 5.38724737e-04 4.73905518e-04 4.01662768e-04] [-5.38724735e-04 4.73905517e-04 -4.01662769e-04] [ 4.41902668e-04 -2.32345036e-04 -3.07003428e-04] [-5.38724735e-04 -4.73905519e-04 -4.01662770e-04] [ 4.41902670e-04 2.32345037e-04 -3.07003426e-04] [ 5.38724735e-04 -4.73905517e-04 4.01662769e-04] [-4.41902670e-04 2.32345037e-04 3.07003427e-04] [-4.41902670e-04 -2.32345039e-04 3.07003429e-04] [ 5.38724734e-04 4.73905516e-04 4.01662768e-04] [-5.38724735e-04 4.73905517e-04 -4.01662770e-04] [ 4.41902670e-04 -2.32345036e-04 -3.07003425e-04] [ 3.84640930e-12 1.15285559e-12 3.19994031e-13] [ 5.47027087e-13 8.24517566e-13 -1.24906204e-12] [-4.25055195e-06 -5.29022379e-05 -5.24980402e-05] [-4.25055046e-06 5.29022426e-05 -5.24980348e-05] [ 4.25054644e-06 -5.29022536e-05 5.24980264e-05] [ 4.25054900e-06 5.29022609e-05 5.24980192e-05] [ 7.62230458e-04 3.58169050e-12 7.44615975e-04] [-3.55107148e-04 1.73633330e-12 3.69688775e-04] [ 3.55107144e-04 2.00062189e-13 -3.69688776e-04] [-7.62230453e-04 2.23820962e-13 -7.44615979e-04] [ 2.04873767e-04 1.88367298e-04 -3.22204837e-06] [-2.04873770e-04 1.88367293e-04 3.22203893e-06] [ 2.04873760e-04 -1.88367303e-04 -3.22204783e-06] [-2.04873768e-04 -1.88367294e-04 3.22203897e-06] [-4.25054377e-06 -5.29022207e-05 -5.24980596e-05] [-4.25054561e-06 5.29022242e-05 -5.24980556e-05] [ 4.25054911e-06 -5.29022172e-05 5.24980615e-05] [ 4.25054621e-06 5.29022203e-05 5.24980584e-05] [ 7.62230418e-04 -1.63228213e-12 7.44616012e-04] [-3.55107161e-04 -1.03850450e-12 3.69688760e-04] [ 3.55107184e-04 4.30173518e-13 -3.69688739e-04] [-7.62230430e-04 1.01302602e-12 -7.44616003e-04] [ 2.04873797e-04 1.88367266e-04 -3.22204115e-06] [-2.04873800e-04 1.88367265e-04 3.22205234e-06] [ 2.04873791e-04 -1.88367270e-04 -3.22204194e-06] [-2.04873790e-04 -1.88367274e-04 3.22204999e-06]] Final stress: [-1.28453190e-05 -1.89956601e-05 -1.90490437e-05 -5.68493848e-16 1.64325101e-05 7.35038230e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 8.64814775e-04 6.20822838e-13 -2.17847256e-05] [-8.64814773e-04 2.69270717e-13 2.17847277e-05] [-1.00575104e-12 -7.96451059e-05 1.58817404e-13] [-4.38829528e-13 7.96451073e-05 1.49694146e-12] [-2.09367780e-05 8.11961609e-13 -8.05392088e-05] [ 2.09367797e-05 -1.20611854e-13 8.05392064e-05] [ 8.64814775e-04 -2.93528240e-13 -2.17847280e-05] [-8.64814774e-04 8.92057560e-14 2.17847265e-05] [-5.20612547e-13 -7.96451076e-05 -2.95260026e-13] [-1.08635556e-12 7.96451055e-05 -7.01168365e-13] [-2.09367783e-05 -1.34336813e-12 -8.05392071e-05] [ 2.09367784e-05 -4.24882026e-14 8.05392085e-05] [-4.28591888e-04 -2.27225812e-04 -2.96198880e-04] [ 5.52362617e-04 4.84304062e-04 -4.17764262e-04] [ 4.28591886e-04 -2.27225810e-04 2.96198881e-04] [-5.52362619e-04 4.84304065e-04 4.17764265e-04] [-5.52362618e-04 -4.84304063e-04 4.17764264e-04] [ 4.28591889e-04 2.27225813e-04 2.96198882e-04] [-4.28591887e-04 2.27225811e-04 -2.96198879e-04] [ 5.52362618e-04 -4.84304063e-04 -4.17764262e-04] [-4.28591889e-04 -2.27225813e-04 -2.96198881e-04] [ 5.52362619e-04 4.84304064e-04 -4.17764264e-04] [ 4.28591886e-04 -2.27225811e-04 2.96198878e-04] [-5.52362617e-04 4.84304062e-04 4.17764263e-04] [-5.52362616e-04 -4.84304062e-04 4.17764260e-04] [ 4.28591888e-04 2.27225810e-04 2.96198880e-04] [-4.28591887e-04 2.27225811e-04 -2.96198879e-04] [ 5.52362619e-04 -4.84304065e-04 -4.17764265e-04] [-8.35664871e-13 4.33861280e-13 3.67274960e-12] [-3.35725368e-13 -1.08928823e-13 -1.61939532e-12] [ 5.61582373e-06 -5.43266124e-05 -5.39194689e-05] [ 5.61582333e-06 5.43266217e-05 -5.39194576e-05] [-5.61582139e-06 -5.43266126e-05 5.39194694e-05] [-5.61582313e-06 5.43266230e-05 5.39194564e-05] [-3.65684238e-04 3.32522898e-12 -3.65286734e-04] [ 7.54923590e-04 6.17217388e-12 -7.52318644e-04] [-7.54923591e-04 4.75341988e-12 7.52318642e-04] [ 3.65684224e-04 5.75273162e-12 3.65286750e-04] [ 1.95943157e-04 1.94428112e-04 4.58094588e-06] [-1.95943147e-04 1.94428123e-04 -4.58094360e-06] [ 1.95943167e-04 -1.94428103e-04 4.58094567e-06] [-1.95943155e-04 -1.94428116e-04 -4.58094475e-06] [ 5.61581969e-06 -5.43265674e-05 -5.39195117e-05] [ 5.61581906e-06 5.43265579e-05 -5.39195232e-05] [-5.61582219e-06 -5.43265726e-05 5.39195056e-05] [-5.61582070e-06 5.43265646e-05 5.39195156e-05] [-3.65684285e-04 -3.07392389e-12 -3.65286687e-04] [ 7.54923532e-04 -3.52929966e-12 -7.52318704e-04] [-7.54923541e-04 -4.98858276e-12 7.52318692e-04] [ 3.65684273e-04 -4.17105445e-12 3.65286699e-04] [ 1.95943219e-04 1.94428052e-04 4.58094540e-06] [-1.95943210e-04 1.94428062e-04 -4.58095030e-06] [ 1.95943206e-04 -1.94428063e-04 4.58094612e-06] [-1.95943198e-04 -1.94428072e-04 -4.58094827e-06]] Final stress: [-1.27613113e-05 -1.89859229e-05 -1.90392445e-05 1.14642067e-15 -1.64494042e-05 6.66911201e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-6.63462862e-04 4.91416822e-05 -6.11038997e-13] [ 6.63462862e-04 -4.91416822e-05 -5.59288726e-13] [ 4.98347728e-05 1.22193993e-04 -7.07281456e-13] [-4.98347729e-05 -1.22193992e-04 -3.07157078e-13] [ 1.18099974e-14 -1.40595868e-13 1.23127318e-04] [ 4.64212002e-14 5.12118126e-13 -1.23127314e-04] [-6.63462862e-04 4.91416826e-05 5.93336544e-13] [ 6.63462861e-04 -4.91416830e-05 7.00448163e-13] [ 4.98347732e-05 1.22193993e-04 6.04191094e-13] [-4.98347728e-05 -1.22193993e-04 7.15284738e-13] [ 3.44230635e-13 4.05901282e-13 1.23127314e-04] [ 8.35440793e-13 3.05004218e-13 -1.23127318e-04] [ 3.34591475e-04 2.02935793e-04 9.54504120e-05] [-3.34591477e-04 -2.02935795e-04 9.54504138e-05] [-2.39643231e-04 1.10065294e-04 -2.20200574e-04] [ 2.39643230e-04 -1.10065293e-04 -2.20200572e-04] [ 3.34591478e-04 2.02935796e-04 -9.54504139e-05] [-3.34591479e-04 -2.02935796e-04 -9.54504144e-05] [ 2.39643227e-04 -1.10065290e-04 2.20200569e-04] [-2.39643226e-04 1.10065289e-04 2.20200569e-04] [ 3.34591478e-04 2.02935796e-04 9.54504144e-05] [-3.34591478e-04 -2.02935796e-04 9.54504142e-05] [-2.39643227e-04 1.10065290e-04 -2.20200570e-04] [ 2.39643226e-04 -1.10065290e-04 -2.20200569e-04] [ 3.34591478e-04 2.02935795e-04 -9.54504131e-05] [-3.34591475e-04 -2.02935793e-04 -9.54504117e-05] [ 2.39643231e-04 -1.10065294e-04 2.20200574e-04] [-2.39643230e-04 1.10065293e-04 2.20200574e-04] [ 1.93435545e-13 -5.74117143e-13 -3.29596767e-12] [ 1.43514074e-12 4.13565219e-13 4.27726841e-12] [-5.23717299e-05 8.66446848e-05 8.62121128e-05] [ 5.23717297e-05 -8.66446864e-05 8.62121106e-05] [-5.23717296e-05 8.66446882e-05 -8.62121118e-05] [ 5.23717292e-05 -8.66446901e-05 -8.62121093e-05] [-1.32799635e-04 -5.35266606e-05 -1.29471507e-04] [-1.32799630e-04 -5.35266604e-05 1.29471510e-04] [ 1.32799633e-04 5.35266625e-05 -1.29471508e-04] [ 1.32799628e-04 5.35266613e-05 1.29471511e-04] [ 4.39171476e-04 4.44554607e-04 5.77538017e-13] [ 7.07466623e-04 -7.05337808e-04 5.00710584e-13] [-7.07466617e-04 7.05337814e-04 2.61901612e-12] [-4.39171479e-04 -4.44554606e-04 1.10667031e-12] [-5.23717289e-05 8.66446450e-05 8.62121549e-05] [ 5.23717291e-05 -8.66446481e-05 8.62121506e-05] [-5.23717305e-05 8.66446400e-05 -8.62121583e-05] [ 5.23717292e-05 -8.66446455e-05 -8.62121520e-05] [-1.32799588e-04 -5.35266614e-05 -1.29471551e-04] [-1.32799590e-04 -5.35266613e-05 1.29471550e-04] [ 1.32799586e-04 5.35266600e-05 -1.29471553e-04] [ 1.32799589e-04 5.35266611e-05 1.29471552e-04] [ 4.39171435e-04 4.44554650e-04 -2.13804711e-12] [ 7.07466665e-04 -7.05337766e-04 -2.35061202e-12] [-7.07466661e-04 7.05337770e-04 -2.62972377e-12] [-4.39171435e-04 -4.44554650e-04 -1.85340174e-12]] Final stress: [4.24109687e-06 1.01741831e-05 1.02330992e-05 9.67118621e-16 4.26756288e-16 1.60953834e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.17988460e-04 -3.12772980e-05 2.06876183e-13] [ 7.17988457e-04 3.12772987e-05 -9.08995101e-15] [-3.20840505e-05 1.50492010e-04 1.75276460e-13] [ 3.20840504e-05 -1.50492009e-04 3.38340467e-13] [-7.33482719e-13 -1.20958799e-12 1.51432522e-04] [-3.58310603e-13 -9.98548466e-13 -1.51432520e-04] [-7.17988457e-04 -3.12772971e-05 3.27538408e-13] [ 7.17988460e-04 3.12772990e-05 1.05181814e-13] [-3.20840502e-05 1.50492009e-04 1.84384329e-13] [ 3.20840509e-05 -1.50492009e-04 -2.35218535e-13] [ 1.31453443e-13 -9.31191931e-13 1.51432520e-04] [-2.86468725e-13 -7.29180930e-13 -1.51432523e-04] [ 2.82015075e-04 1.65450195e-04 2.52085407e-04] [-2.82015074e-04 -1.65450194e-04 2.52085407e-04] [-3.05903412e-04 1.87064085e-04 -1.02972405e-04] [ 3.05903413e-04 -1.87064086e-04 -1.02972408e-04] [ 2.82015076e-04 1.65450196e-04 -2.52085408e-04] [-2.82015077e-04 -1.65450196e-04 -2.52085408e-04] [ 3.05903412e-04 -1.87064085e-04 1.02972408e-04] [-3.05903412e-04 1.87064084e-04 1.02972406e-04] [ 2.82015077e-04 1.65450196e-04 2.52085408e-04] [-2.82015075e-04 -1.65450196e-04 2.52085408e-04] [-3.05903411e-04 1.87064086e-04 -1.02972407e-04] [ 3.05903412e-04 -1.87064084e-04 -1.02972406e-04] [ 2.82015076e-04 1.65450195e-04 -2.52085407e-04] [-2.82015074e-04 -1.65450195e-04 -2.52085408e-04] [ 3.05903412e-04 -1.87064084e-04 1.02972406e-04] [-3.05903412e-04 1.87064086e-04 1.02972408e-04] [ 5.99256755e-13 -1.36798906e-12 -8.66084982e-13] [-1.34535016e-12 6.05038587e-13 2.32670134e-12] [ 5.34800650e-05 9.80405292e-05 9.76600603e-05] [-5.34800715e-05 -9.80405194e-05 9.76600721e-05] [ 5.34800639e-05 9.80405350e-05 -9.76600566e-05] [-5.34800706e-05 -9.80405248e-05 -9.76600686e-05] [-9.75809497e-05 5.48134699e-05 -1.89766921e-04] [-9.75809429e-05 5.48134693e-05 1.89766926e-04] [ 9.75809456e-05 -5.48134709e-05 -1.89766926e-04] [ 9.75809398e-05 -5.48134712e-05 1.89766930e-04] [-6.89866343e-04 -7.83291036e-04 2.73003842e-12] [-4.91998871e-04 4.01803870e-04 2.22266650e-12] [ 4.91998851e-04 -4.01803891e-04 1.69914083e-12] [ 6.89866346e-04 7.83291034e-04 2.91011659e-12] [ 5.34800714e-05 9.80406219e-05 9.76599697e-05] [-5.34800651e-05 -9.80406105e-05 9.76599821e-05] [ 5.34800721e-05 9.80406161e-05 -9.76599748e-05] [-5.34800646e-05 -9.80406046e-05 -9.76599865e-05] [-9.75810237e-05 5.48134690e-05 -1.89766847e-04] [-9.75810283e-05 5.48134701e-05 1.89766844e-04] [ 9.75810313e-05 -5.48134692e-05 -1.89766838e-04] [ 9.75810360e-05 -5.48134710e-05 1.89766834e-04] [-6.89866253e-04 -7.83291127e-04 -2.54378594e-12] [-4.91998950e-04 4.01803792e-04 -2.81628623e-12] [ 4.91998943e-04 -4.01803797e-04 -2.34536080e-12] [ 6.89866266e-04 7.83291113e-04 -3.75239162e-12]] Final stress: [ 4.50275470e-06 9.95670715e-06 1.00137692e-05 -1.16959729e-16 -3.20276821e-16 -1.61897816e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 8.62200932e-04 1.87952615e-05 -2.05377382e-13] [-8.62200931e-04 -1.87952615e-05 7.82984788e-14] [ 1.79550184e-05 -7.98073894e-05 -7.13776260e-13] [-1.79550190e-05 7.98073853e-05 1.86016480e-12] [-3.01661474e-13 8.03815348e-13 -7.89224734e-05] [ 3.67095243e-13 -8.19622148e-13 7.89224817e-05] [ 8.62200932e-04 1.87952615e-05 -1.50549922e-13] [-8.62200932e-04 -1.87952618e-05 1.56792927e-13] [ 1.79550185e-05 -7.98073864e-05 7.60589650e-13] [-1.79550183e-05 7.98073900e-05 3.03839175e-13] [ 1.08200525e-12 -1.17679203e-12 -7.89224800e-05] [ 2.38323670e-13 1.86215572e-13 7.89224735e-05] [-5.48101468e-04 -4.13294005e-04 -4.80668115e-04] [ 5.48101468e-04 4.13294004e-04 -4.80668116e-04] [ 4.27759526e-04 -2.95134311e-04 2.25340889e-04] [-4.27759531e-04 2.95134315e-04 2.25340892e-04] [-5.48101462e-04 -4.13293999e-04 4.80668112e-04] [ 5.48101463e-04 4.13294001e-04 4.80668114e-04] [-4.27759532e-04 2.95134315e-04 -2.25340893e-04] [ 4.27759530e-04 -2.95134315e-04 -2.25340891e-04] [-5.48101464e-04 -4.13293999e-04 -4.80668114e-04] [ 5.48101462e-04 4.13294000e-04 -4.80668111e-04] [ 4.27759532e-04 -2.95134316e-04 2.25340891e-04] [-4.27759531e-04 2.95134314e-04 2.25340892e-04] [-5.48101468e-04 -4.13294005e-04 4.80668115e-04] [ 5.48101467e-04 4.13294004e-04 4.80668116e-04] [-4.27759527e-04 2.95134311e-04 -2.25340888e-04] [ 4.27759531e-04 -2.95134313e-04 -2.25340894e-04] [-1.27584054e-12 3.00297287e-12 -5.11227172e-12] [ 5.27748400e-13 -2.68549108e-12 4.68747930e-12] [-2.85894448e-06 -5.22193731e-05 -5.26252225e-05] [ 2.85894441e-06 5.22193723e-05 -5.26252242e-05] [-2.85894678e-06 -5.22193602e-05 5.26252321e-05] [ 2.85894534e-06 5.22193593e-05 5.26252333e-05] [ 1.96382174e-04 -1.82529233e-06 1.94902344e-04] [ 1.96382193e-04 -1.82529029e-06 -1.94902329e-04] [-1.96382182e-04 1.82528335e-06 1.94902335e-04] [-1.96382196e-04 1.82528840e-06 -1.94902324e-04] [ 7.54354623e-04 7.51785402e-04 8.19500023e-12] [ 3.64222909e-04 -3.63792688e-04 7.54296625e-12] [-3.64222916e-04 3.63792683e-04 4.65788519e-12] [-7.54354611e-04 -7.51785411e-04 5.57071056e-12] [-2.85894451e-06 -5.22192878e-05 -5.26253052e-05] [ 2.85894557e-06 5.22192915e-05 -5.26252998e-05] [-2.85894204e-06 -5.22193003e-05 5.26252965e-05] [ 2.85894571e-06 5.22193105e-05 5.26252838e-05] [ 1.96382122e-04 -1.82528678e-06 1.94902399e-04] [ 1.96382110e-04 -1.82528643e-06 -1.94902408e-04] [-1.96382124e-04 1.82529311e-06 1.94902395e-04] [-1.96382112e-04 1.82529106e-06 -1.94902404e-04] [ 7.54354687e-04 7.51785337e-04 -7.54496191e-12] [ 3.64222846e-04 -3.63792752e-04 -8.33301969e-12] [-3.64222838e-04 3.63792759e-04 -4.36356925e-12] [-7.54354683e-04 -7.51785341e-04 -8.29932199e-12]] Final stress: [-1.27556988e-05 -1.90509180e-05 -1.89977422e-05 1.70988360e-15 -1.32900111e-16 1.64566848e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 8.62040519e-04 -1.73071699e-05 -3.66290331e-13] [-8.62040516e-04 1.73071705e-05 -7.22852334e-13] [-1.64667638e-05 -8.59152454e-05 -8.08089706e-13] [ 1.64667657e-05 8.59152365e-05 7.02479741e-13] [ 5.44272960e-13 1.13931087e-12 -8.50385164e-05] [-3.04853365e-13 -8.08172973e-13 8.50385192e-05] [ 8.62040516e-04 -1.73071703e-05 1.05399209e-13] [-8.62040518e-04 1.73071710e-05 -3.27722089e-13] [-1.64667647e-05 -8.59152359e-05 1.12901694e-12] [ 1.64667640e-05 8.59152451e-05 -5.48336631e-13] [ 4.81176983e-14 -4.94176246e-13 -8.50385184e-05] [-4.43619872e-13 5.16543825e-13 8.50385172e-05] [-4.22752050e-04 -2.90584934e-04 -2.22041226e-04] [ 4.22752056e-04 2.90584935e-04 -2.22041231e-04] [ 5.48461427e-04 -4.14125085e-04 4.80253944e-04] [-5.48461431e-04 4.14125090e-04 4.80253949e-04] [-4.22752050e-04 -2.90584933e-04 2.22041226e-04] [ 4.22752052e-04 2.90584933e-04 2.22041227e-04] [-5.48461431e-04 4.14125088e-04 -4.80253949e-04] [ 5.48461428e-04 -4.14125087e-04 -4.80253945e-04] [-4.22752053e-04 -2.90584931e-04 -2.22041229e-04] [ 4.22752049e-04 2.90584934e-04 -2.22041225e-04] [ 5.48461430e-04 -4.14125090e-04 4.80253948e-04] [-5.48461428e-04 4.14125087e-04 4.80253945e-04] [-4.22752056e-04 -2.90584937e-04 2.22041230e-04] [ 4.22752050e-04 2.90584934e-04 2.22041226e-04] [-5.48461426e-04 4.14125086e-04 -4.80253943e-04] [ 5.48461431e-04 -4.14125088e-04 -4.80253950e-04] [-1.33226763e-15 6.16906526e-12 -2.95150016e-12] [ 3.50580401e-13 -4.99465119e-12 5.93684922e-13] [-1.37629925e-07 -5.02620473e-05 -5.06684896e-05] [ 1.37641415e-07 5.02620337e-05 -5.06685076e-05] [-1.37629442e-07 -5.02620526e-05 5.06684846e-05] [ 1.37641111e-07 5.02620358e-05 5.06685059e-05] [ 1.92394310e-04 -1.16877926e-06 1.98874244e-04] [ 1.92394317e-04 -1.16877583e-06 -1.98874238e-04] [-1.92394301e-04 1.16875415e-06 1.98874256e-04] [-1.92394306e-04 1.16875737e-06 -1.98874250e-04] [-3.67974318e-04 -3.59588980e-04 4.04887235e-12] [-7.50133701e-04 7.55529629e-04 2.32180941e-12] [ 7.50133689e-04 -7.55529633e-04 -1.82076576e-14] [ 3.67974353e-04 3.59588947e-04 -6.62636612e-13] [-1.37641683e-07 -5.02620404e-05 -5.06685014e-05] [ 1.37630496e-07 5.02620563e-05 -5.06684794e-05] [-1.37641662e-07 -5.02620446e-05 5.06684994e-05] [ 1.37630308e-07 5.02620676e-05 5.06684701e-05] [ 1.92394310e-04 -1.16875542e-06 1.98874247e-04] [ 1.92394313e-04 -1.16875793e-06 -1.98874243e-04] [-1.92394323e-04 1.16877699e-06 1.98874232e-04] [-1.92394324e-04 1.16877438e-06 -1.98874230e-04] [-3.67974361e-04 -3.59588940e-04 -1.44349500e-12] [-7.50133679e-04 7.55529643e-04 -2.24337855e-12] [ 7.50133691e-04 -7.55529640e-04 5.97150972e-13] [ 3.67974329e-04 3.59588968e-04 1.11571075e-13]] Final stress: [-1.26922691e-05 -1.90687587e-05 -1.90156536e-05 -5.52143361e-16 -1.72057430e-15 -1.64696090e-05] Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 7.96665402e-05 -9.07746101e-14 5.43551315e-13] [-7.96665442e-05 -6.04655215e-14 -5.54972734e-14] [-2.19407825e-14 -6.68668100e-04 3.30482912e-05] [ 4.22675783e-13 6.68668098e-04 -3.30482919e-05] [-8.87637186e-13 3.38066683e-05 7.86587681e-05] [ 2.14425699e-13 -3.38066679e-05 -7.86587676e-05] [ 7.96665445e-05 -1.45201323e-13 2.29590166e-13] [-7.96665394e-05 -4.84826819e-13 3.33400733e-13] [ 1.15450809e-13 -6.68668097e-04 3.30482913e-05] [ 1.42189049e-13 6.68668100e-04 -3.30482910e-05] [ 7.69657125e-13 3.38066679e-05 7.86587669e-05] [-1.76166183e-13 -3.38066679e-05 -7.86587692e-05] [ 1.36737455e-04 3.86989504e-04 2.51147449e-04] [-2.18482849e-04 -2.35155696e-04 1.01539555e-04] [-2.18482851e-04 2.35155697e-04 -1.01539557e-04] [ 1.36737454e-04 -3.86989504e-04 -2.51147448e-04] [ 2.18482852e-04 2.35155700e-04 -1.01539561e-04] [-1.36737455e-04 -3.86989503e-04 -2.51147447e-04] [ 2.18482850e-04 -2.35155699e-04 1.01539557e-04] [-1.36737455e-04 3.86989502e-04 2.51147447e-04] [ 1.36737455e-04 3.86989503e-04 2.51147447e-04] [-2.18482853e-04 -2.35155700e-04 1.01539559e-04] [-2.18482850e-04 2.35155699e-04 -1.01539558e-04] [ 1.36737455e-04 -3.86989503e-04 -2.51147447e-04] [ 2.18482849e-04 2.35155697e-04 -1.01539555e-04] [-1.36737455e-04 -3.86989505e-04 -2.51147449e-04] [ 2.18482850e-04 -2.35155697e-04 1.01539557e-04] [-1.36737455e-04 3.86989503e-04 2.51147448e-04] [ 2.01219597e-12 1.08246745e-12 -6.16916240e-13] [-2.71205662e-12 -1.65511953e-12 2.05175817e-12] [-5.76116932e-12 4.20600270e-04 4.58251749e-04] [-5.69277958e-12 7.54327723e-04 -7.20099259e-04] [-6.85623780e-12 -7.54327727e-04 7.20099252e-04] [-6.73650025e-12 -4.20600281e-04 -4.58251735e-04] [ 1.08781111e-04 -7.80800014e-05 1.09140791e-04] [ 1.08781106e-04 7.80799984e-05 -1.09140795e-04] [-1.08781121e-04 -7.80800027e-05 1.09140777e-04] [-1.08781115e-04 7.80799985e-05 -1.09140783e-04] [-1.29945153e-04 -1.65529774e-04 -7.93634506e-05] [ 1.29945140e-04 -1.65529789e-04 -7.93634506e-05] [-1.29945153e-04 1.65529774e-04 7.93634501e-05] [ 1.29945141e-04 1.65529789e-04 7.93634509e-05] [ 5.90457711e-12 4.20600328e-04 4.58251689e-04] [ 6.14485536e-12 7.54327674e-04 -7.20099308e-04] [ 6.82179140e-12 -7.54327668e-04 7.20099313e-04] [ 6.38905383e-12 -4.20600334e-04 -4.58251683e-04] [ 1.08781067e-04 -7.80799978e-05 1.09140832e-04] [ 1.08781062e-04 7.80800037e-05 -1.09140836e-04] [-1.08781054e-04 -7.80799984e-05 1.09140848e-04] [-1.08781050e-04 7.80800030e-05 -1.09140851e-04] [-1.29945091e-04 -1.65529839e-04 -7.93634494e-05] [ 1.29945100e-04 -1.65529827e-04 -7.93634504e-05] [-1.29945082e-04 1.65529847e-04 7.93634518e-05] [ 1.29945092e-04 1.65529834e-04 7.93634492e-05]] Final stress: [ 9.85709591e-06 5.10228472e-06 9.79914527e-06 1.60236392e-05 8.46805208e-17 -2.82338271e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.28505546e-04 1.45855550e-13 -1.47576396e-13] [-1.28505549e-04 3.44779760e-13 -7.13623605e-13] [ 8.96810404e-13 -7.09291687e-04 -5.14830322e-05] [ 2.62498356e-13 7.09291689e-04 5.14830321e-05] [ 3.01231262e-13 -5.23177413e-05 1.27494766e-04] [-9.29811783e-15 5.23177414e-05 -1.27494766e-04] [ 1.28505550e-04 -6.00990429e-14 -2.79670134e-13] [-1.28505546e-04 -4.33657667e-13 2.09159743e-13] [-4.27013785e-13 -7.09291688e-04 -5.14830313e-05] [ 6.26730994e-13 7.09291688e-04 5.14830313e-05] [-5.62535206e-13 -5.23177413e-05 1.27494765e-04] [-1.30138366e-13 5.23177405e-05 -1.27494765e-04] [ 2.46358648e-04 2.83157290e-04 1.52688759e-04] [-1.14722449e-04 -3.38655755e-04 2.05831075e-04] [-1.14722450e-04 3.38655754e-04 -2.05831075e-04] [ 2.46358651e-04 -2.83157291e-04 -1.52688760e-04] [ 1.14722451e-04 3.38655757e-04 -2.05831077e-04] [-2.46358647e-04 -2.83157288e-04 -1.52688757e-04] [ 1.14722450e-04 -3.38655755e-04 2.05831076e-04] [-2.46358648e-04 2.83157288e-04 1.52688758e-04] [ 2.46358647e-04 2.83157288e-04 1.52688757e-04] [-1.14722451e-04 -3.38655756e-04 2.05831078e-04] [-1.14722451e-04 3.38655755e-04 -2.05831076e-04] [ 2.46358647e-04 -2.83157289e-04 -1.52688757e-04] [ 1.14722451e-04 3.38655753e-04 -2.05831075e-04] [-2.46358648e-04 -2.83157290e-04 -1.52688758e-04] [ 1.14722449e-04 -3.38655754e-04 2.05831074e-04] [-2.46358650e-04 2.83157291e-04 1.52688761e-04] [ 2.69596151e-12 -1.23735050e-12 -4.78200812e-13] [-2.75108832e-12 -5.38755498e-13 9.43436688e-13] [-2.93753910e-12 -7.02902089e-04 -7.51198527e-04] [-1.11499698e-12 -4.61904226e-04 4.16867631e-04] [-3.07759374e-12 4.61904234e-04 -4.16867623e-04] [-2.07450723e-12 7.02902098e-04 7.51198515e-04] [ 1.12450145e-04 7.08468332e-05 1.12823345e-04] [ 1.12450146e-04 -7.08468244e-05 -1.12823344e-04] [-1.12450146e-04 7.08468329e-05 1.12823342e-04] [-1.12450146e-04 -7.08468275e-05 -1.12823344e-04] [-1.66180700e-04 -1.19145231e-04 7.20930423e-05] [ 1.66180697e-04 -1.19145237e-04 7.20930439e-05] [-1.66180700e-04 1.19145231e-04 -7.20930447e-05] [ 1.66180692e-04 1.19145242e-04 -7.20930441e-05] [ 3.32891810e-12 -7.02901999e-04 -7.51198615e-04] [ 3.75996346e-13 -4.61904329e-04 4.16867527e-04] [ 3.10655573e-12 4.61904326e-04 -4.16867531e-04] [ 2.79479716e-12 7.02901995e-04 7.51198620e-04] [ 1.12450051e-04 7.08468272e-05 1.12823437e-04] [ 1.12450052e-04 -7.08468338e-05 -1.12823437e-04] [-1.12450044e-04 7.08468289e-05 1.12823446e-04] [-1.12450047e-04 -7.08468313e-05 -1.12823444e-04] [-1.66180595e-04 -1.19145337e-04 7.20930438e-05] [ 1.66180593e-04 -1.19145337e-04 7.20930432e-05] [-1.66180605e-04 1.19145329e-04 -7.20930442e-05] [ 1.66180606e-04 1.19145326e-04 -7.20930426e-05]] Final stress: [ 9.97433148e-06 4.66487532e-06 9.91753407e-06 -1.60927551e-05 7.19784426e-16 3.64713134e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-8.09325088e-05 -3.13582493e-13 3.03798653e-13] [ 8.09325075e-05 8.24423863e-13 2.60916289e-13] [-4.73093786e-14 8.64513651e-04 2.21614334e-05] [-4.39426273e-13 -8.64513651e-04 -2.21614320e-05] [-8.31154590e-13 2.13135768e-05 -8.18249736e-05] [-3.94614896e-13 -2.13135766e-05 8.18249683e-05] [-8.09325054e-05 1.36631961e-12 -5.89274407e-13] [ 8.09325076e-05 1.22708321e-13 2.34570650e-13] [ 2.43724038e-13 8.64513652e-04 2.21614341e-05] [ 8.41920866e-13 -8.64513651e-04 -2.21614342e-05] [ 1.29668683e-14 2.13135749e-05 -8.18249679e-05] [ 1.47412390e-13 -2.13135756e-05 8.18249740e-05] [-4.83868102e-04 -5.52229460e-04 -4.17578319e-04] [ 2.27062704e-04 4.28234600e-04 -2.95783999e-04] [ 2.27062705e-04 -4.28234606e-04 2.95784002e-04] [-4.83868103e-04 5.52229462e-04 4.17578319e-04] [-2.27062706e-04 -4.28234604e-04 2.95784001e-04] [ 4.83868102e-04 5.52229462e-04 4.17578320e-04] [-2.27062703e-04 4.28234601e-04 -2.95783999e-04] [ 4.83868098e-04 -5.52229459e-04 -4.17578317e-04] [-4.83868103e-04 -5.52229461e-04 -4.17578321e-04] [ 2.27062706e-04 4.28234605e-04 -2.95784000e-04] [ 2.27062702e-04 -4.28234602e-04 2.95783998e-04] [-4.83868097e-04 5.52229457e-04 4.17578318e-04] [-2.27062702e-04 -4.28234603e-04 2.95783998e-04] [ 4.83868102e-04 5.52229459e-04 4.17578320e-04] [-2.27062707e-04 4.28234605e-04 -2.95784000e-04] [ 4.83868104e-04 -5.52229461e-04 -4.17578321e-04] [-2.74343048e-13 2.98649994e-14 4.23349550e-12] [ 1.66866836e-13 4.63851702e-14 -3.92529121e-12] [-3.68294284e-12 7.54201180e-04 7.51481891e-04] [-2.69312350e-12 3.65465552e-04 -3.65183752e-04] [-5.17258458e-12 -3.65465559e-04 3.65183748e-04] [-2.52919907e-12 -7.54201163e-04 -7.51481906e-04] [-5.38784112e-05 -5.18403936e-06 -5.34716192e-05] [-5.38784208e-05 5.18404121e-06 5.34716132e-05] [ 5.38784048e-05 -5.18404054e-06 -5.34716276e-05] [ 5.38784159e-05 5.18404086e-06 5.34716194e-05] [ 1.94060229e-04 1.95689956e-04 -4.15460391e-06] [-1.94060233e-04 1.95689951e-04 -4.15460398e-06] [ 1.94060224e-04 -1.95689961e-04 4.15459091e-06] [-1.94060232e-04 -1.95689953e-04 4.15459227e-06] [ 3.27251253e-12 7.54201129e-04 7.51481939e-04] [ 1.58232189e-12 3.65465601e-04 -3.65183707e-04] [ 3.85375642e-12 -3.65465585e-04 3.65183717e-04] [ 2.85538178e-12 -7.54201139e-04 -7.51481934e-04] [-5.38783795e-05 -5.18404132e-06 -5.34716555e-05] [-5.38783674e-05 5.18403787e-06 5.34716641e-05] [ 5.38783864e-05 -5.18403790e-06 -5.34716478e-05] [ 5.38783721e-05 5.18403926e-06 5.34716589e-05] [ 1.94060199e-04 1.95689986e-04 -4.15459401e-06] [-1.94060193e-04 1.95689993e-04 -4.15459405e-06] [ 1.94060194e-04 -1.95689990e-04 4.15460481e-06] [-1.94060187e-04 -1.95689999e-04 4.15460339e-06]] Final stress: [-1.89934547e-05 -1.27389665e-05 -1.90467334e-05 1.64494074e-05 1.08416305e-15 2.66743518e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-6.73712725e-05 -2.46608289e-14 2.48259746e-13] [ 6.73712678e-05 1.40580603e-12 -6.09831630e-13] [ 1.00700004e-12 8.56859942e-04 -1.50004211e-05] [ 5.93983196e-13 -8.56859940e-04 1.50004220e-05] [-3.11597970e-13 -1.41758032e-05 -6.82457526e-05] [ 7.44584949e-13 1.41758025e-05 6.82457505e-05] [-6.73712684e-05 9.79915176e-13 -1.07684774e-13] [ 6.73712723e-05 -1.81001976e-13 7.56636493e-13] [-1.10122051e-12 8.56859941e-04 -1.50004214e-05] [ 9.69823993e-14 -8.56859941e-04 1.50004217e-05] [-8.42251118e-13 -1.41758034e-05 -6.82457528e-05] [-9.98730951e-13 1.41758025e-05 6.82457520e-05] [-2.29425269e-04 -4.42141359e-04 -3.04867759e-04] [ 4.66805585e-04 5.33147836e-04 -3.93761005e-04] [ 4.66805584e-04 -5.33147837e-04 3.93761006e-04] [-2.29425267e-04 4.42141359e-04 3.04867757e-04] [-4.66805582e-04 -5.33147832e-04 3.93761002e-04] [ 2.29425271e-04 4.42141362e-04 3.04867761e-04] [-4.66805581e-04 5.33147833e-04 -3.93761002e-04] [ 2.29425269e-04 -4.42141361e-04 -3.04867759e-04] [-2.29425271e-04 -4.42141363e-04 -3.04867761e-04] [ 4.66805582e-04 5.33147834e-04 -3.93761003e-04] [ 4.66805581e-04 -5.33147832e-04 3.93761002e-04] [-2.29425269e-04 4.42141360e-04 3.04867760e-04] [-4.66805583e-04 -5.33147836e-04 3.93761006e-04] [ 2.29425269e-04 4.42141360e-04 3.04867759e-04] [-4.66805587e-04 5.33147836e-04 -3.93761005e-04] [ 2.29425268e-04 -4.42141359e-04 -3.04867757e-04] [ 3.69473202e-12 -8.71316908e-13 2.73949613e-12] [-3.94989974e-12 -1.75761436e-16 1.17518194e-12] [-1.17256205e-12 -3.53911843e-04 -3.65407988e-04] [-2.79498646e-13 -7.57188529e-04 7.42664018e-04] [-3.67478270e-12 7.57188534e-04 -7.42664012e-04] [-7.69773134e-13 3.53911853e-04 3.65407976e-04] [-4.97965326e-05 -2.87689149e-06 -4.93937515e-05] [-4.97965353e-05 2.87689634e-06 4.93937497e-05] [ 4.97965318e-05 -2.87689299e-06 -4.93937558e-05] [ 4.97965354e-05 2.87689540e-06 4.93937516e-05] [ 1.89521980e-04 2.02938917e-04 -3.87654955e-06] [-1.89521984e-04 2.02938910e-04 -3.87654863e-06] [ 1.89521977e-04 -2.02938921e-04 3.87654281e-06] [-1.89521985e-04 -2.02938910e-04 3.87654638e-06] [ 2.53403061e-12 -3.53911990e-04 -3.65407840e-04] [ 1.90631289e-12 -7.57188385e-04 7.42664161e-04] [ 5.45205551e-12 7.57188392e-04 -7.42664156e-04] [ 2.40352532e-12 3.53911986e-04 3.65407843e-04] [-4.97963912e-05 -2.87689829e-06 -4.93938968e-05] [-4.97963885e-05 2.87689331e-06 4.93938982e-05] [ 4.97963991e-05 -2.87689509e-06 -4.93938881e-05] [ 4.97963914e-05 2.87689437e-06 4.93938930e-05] [ 1.89521845e-04 2.02939051e-04 -3.87654447e-06] [-1.89521846e-04 2.02939050e-04 -3.87654475e-06] [ 1.89521837e-04 -2.02939058e-04 3.87654712e-06] [-1.89521836e-04 -2.02939059e-04 3.87654615e-06]] Final stress: [-1.90534442e-05 -1.27341882e-05 -1.91066658e-05 -1.64436460e-05 8.35132556e-16 1.01959959e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.23835046e-04 1.74388282e-13 -6.61750984e-05] [-1.23835046e-04 2.54254950e-13 6.61750993e-05] [ 1.53113633e-13 -5.69649705e-04 4.74106865e-13] [ 5.45452572e-13 5.69649702e-04 1.70308212e-13] [-6.61750993e-05 2.18061680e-13 1.23835046e-04] [ 6.61750991e-05 6.00797190e-13 -1.23835045e-04] [ 1.23835045e-04 -2.37780102e-13 -6.61750998e-05] [-1.23835046e-04 -3.37548708e-13 6.61750991e-05] [-1.95158883e-13 -5.69649702e-04 -4.64411321e-13] [-2.94925827e-13 5.69649706e-04 3.82695584e-14] [-6.61750991e-05 -2.29860403e-13 1.23835045e-04] [ 6.61750985e-05 -5.20171064e-13 -1.23835046e-04] [ 1.87842239e-04 1.22892438e-04 1.87842239e-04] [-5.92455718e-05 -2.48312786e-04 5.92455730e-05] [-1.87842239e-04 1.22892438e-04 -1.87842239e-04] [ 5.92455727e-05 -2.48312786e-04 -5.92455718e-05] [ 5.92455741e-05 2.48312786e-04 -5.92455739e-05] [-1.87842236e-04 -1.22892437e-04 -1.87842236e-04] [ 1.87842238e-04 -1.22892437e-04 1.87842238e-04] [-5.92455742e-05 2.48312787e-04 5.92455746e-05] [ 1.87842236e-04 1.22892436e-04 1.87842236e-04] [-5.92455743e-05 -2.48312787e-04 5.92455733e-05] [-1.87842237e-04 1.22892437e-04 -1.87842238e-04] [ 5.92455749e-05 -2.48312787e-04 -5.92455742e-05] [ 5.92455727e-05 2.48312785e-04 -5.92455719e-05] [-1.87842239e-04 -1.22892438e-04 -1.87842239e-04] [ 1.87842239e-04 -1.22892438e-04 1.87842238e-04] [-5.92455728e-05 2.48312785e-04 5.92455719e-05] [ 5.89861493e-13 2.52214916e-12 2.37566911e-13] [ 1.24776570e-13 -2.62250189e-12 1.83751833e-14] [-3.41393979e-06 -1.37433844e-04 -1.24943660e-04] [-3.41394067e-06 1.37433838e-04 -1.24943668e-04] [ 3.41394096e-06 -1.37433839e-04 1.24943664e-04] [ 3.41394145e-06 1.37433835e-04 1.24943671e-04] [ 5.96906993e-04 -2.23498997e-12 5.96906971e-04] [-6.19988318e-04 -3.50147689e-12 6.19988348e-04] [ 6.19988324e-04 -2.25525154e-12 -6.19988343e-04] [-5.96906993e-04 -2.90456548e-12 -5.96906972e-04] [-1.24943676e-04 -1.37433828e-04 -3.41394078e-06] [ 1.24943676e-04 -1.37433828e-04 3.41394293e-06] [-1.24943681e-04 1.37433825e-04 -3.41394026e-06] [ 1.24943682e-04 1.37433824e-04 3.41394356e-06] [-3.41394287e-06 -1.37433820e-04 -1.24943686e-04] [-3.41394272e-06 1.37433825e-04 -1.24943681e-04] [ 3.41394080e-06 -1.37433823e-04 1.24943683e-04] [ 3.41394097e-06 1.37433826e-04 1.24943679e-04] [ 5.96906979e-04 2.74748211e-12 5.96906985e-04] [-6.19988341e-04 3.48873068e-12 6.19988326e-04] [ 6.19988337e-04 2.98292579e-12 -6.19988330e-04] [-5.96906977e-04 2.82714891e-12 -5.96906988e-04] [-1.24943667e-04 -1.37433838e-04 -3.41394172e-06] [ 1.24943665e-04 -1.37433840e-04 3.41393946e-06] [-1.24943661e-04 1.37433844e-04 -3.41394231e-06] [ 1.24943658e-04 1.37433846e-04 3.41393832e-06]] Final stress: [1.02260161e-05 4.25440049e-06 1.02260162e-05 4.32834840e-16 1.63666379e-05 5.29253255e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.32039980e-04 1.87058702e-13 1.59008529e-04] [-1.32039978e-04 2.69964606e-13 -1.59008529e-04] [ 7.00828284e-14 -5.40762037e-04 -5.26106936e-14] [ 3.48610030e-13 5.40762036e-04 2.35478304e-13] [ 1.59008528e-04 -6.42541576e-15 1.32039978e-04] [-1.59008528e-04 -8.10324030e-14 -1.32039979e-04] [ 1.32039978e-04 -2.28878764e-13 1.59008529e-04] [-1.32039981e-04 2.80765848e-13 -1.59008528e-04] [-5.76578624e-14 -5.40762036e-04 3.30031937e-15] [-2.50718757e-13 5.40762036e-04 2.36958355e-13] [ 1.59008529e-04 -1.74330050e-13 1.32039979e-04] [-1.59008529e-04 -9.62290414e-15 -1.32039979e-04] [ 3.20786882e-05 1.85078647e-04 3.20786875e-05] [-1.91727459e-04 -7.41668548e-05 1.91727460e-04] [-3.20786887e-05 1.85078647e-04 -3.20786886e-05] [ 1.91727459e-04 -7.41668537e-05 -1.91727459e-04] [ 1.91727459e-04 7.41668541e-05 -1.91727459e-04] [-3.20786887e-05 -1.85078647e-04 -3.20786887e-05] [ 3.20786883e-05 -1.85078646e-04 3.20786875e-05] [-1.91727459e-04 7.41668547e-05 1.91727459e-04] [ 3.20786880e-05 1.85078647e-04 3.20786887e-05] [-1.91727459e-04 -7.41668542e-05 1.91727459e-04] [-3.20786884e-05 1.85078646e-04 -3.20786876e-05] [ 1.91727460e-04 -7.41668548e-05 -1.91727459e-04] [ 1.91727459e-04 7.41668551e-05 -1.91727459e-04] [-3.20786889e-05 -1.85078646e-04 -3.20786879e-05] [ 3.20786885e-05 -1.85078647e-04 3.20786897e-05] [-1.91727459e-04 7.41668532e-05 1.91727459e-04] [-1.08815040e-12 1.02948206e-12 4.89663865e-13] [ 1.27001278e-12 3.51339879e-13 4.59572535e-13] [-3.22753843e-05 -1.50014332e-04 -1.30153987e-04] [-3.22753853e-05 1.50014334e-04 -1.30153985e-04] [ 3.22753914e-05 -1.50014335e-04 1.30153985e-04] [ 3.22753905e-05 1.50014337e-04 1.30153982e-04] [-7.26924581e-04 -5.27633492e-13 -7.26924587e-04] [ 5.71757777e-04 -7.62168106e-14 -5.71757777e-04] [-5.71757776e-04 8.69304628e-14 5.71757779e-04] [ 7.26924589e-04 4.81503726e-13 7.26924578e-04] [-1.30153977e-04 -1.50014343e-04 -3.22753899e-05] [ 1.30153982e-04 -1.50014336e-04 3.22753864e-05] [-1.30153975e-04 1.50014345e-04 -3.22753903e-05] [ 1.30153981e-04 1.50014337e-04 3.22753860e-05] [-3.22753912e-05 -1.50014342e-04 -1.30153978e-04] [-3.22753910e-05 1.50014341e-04 -1.30153979e-04] [ 3.22753851e-05 -1.50014337e-04 1.30153982e-04] [ 3.22753856e-05 1.50014337e-04 1.30153982e-04] [-7.26924585e-04 -7.24913334e-13 -7.26924583e-04] [ 5.71757780e-04 -6.30699086e-13 -5.71757776e-04] [-5.71757781e-04 -1.26522219e-12 5.71757772e-04] [ 7.26924575e-04 -1.21488512e-12 7.26924593e-04] [-1.30153985e-04 -1.50014334e-04 -3.22753864e-05] [ 1.30153981e-04 -1.50014339e-04 3.22753893e-05] [-1.30153986e-04 1.50014332e-04 -3.22753863e-05] [ 1.30153981e-04 1.50014339e-04 3.22753892e-05]] Final stress: [ 1.02844016e-05 4.10762163e-06 1.02844016e-05 3.12731032e-16 -1.65716897e-05 7.17897979e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.49251555e-05 -1.45480850e-13 2.86742945e-05] [ 7.49251589e-05 -1.03930753e-13 -2.86742927e-05] [ 1.16139043e-12 8.77391209e-04 7.50302598e-13] [ 8.44227466e-13 -8.77391208e-04 4.70207207e-13] [ 2.86742942e-05 1.47479251e-13 -7.49251541e-05] [-2.86742956e-05 9.96008831e-14 7.49251614e-05] [-7.49251592e-05 6.16878022e-13 2.86742945e-05] [ 7.49251550e-05 2.58371612e-14 -2.86742950e-05] [ 5.08753472e-13 8.77391208e-04 -8.46928591e-13] [ 5.69249793e-13 -8.77391208e-04 -1.04774627e-12] [ 2.86742931e-05 2.18927579e-13 -7.49251611e-05] [-2.86742940e-05 -4.07031478e-13 7.49251538e-05] [-4.30726396e-04 -6.31134482e-04 -4.30726394e-04] [ 3.02154826e-04 3.71042538e-04 -3.02154824e-04] [ 4.30726394e-04 -6.31134479e-04 4.30726393e-04] [-3.02154825e-04 3.71042538e-04 3.02154827e-04] [-3.02154824e-04 -3.71042537e-04 3.02154826e-04] [ 4.30726392e-04 6.31134477e-04 4.30726391e-04] [-4.30726395e-04 6.31134482e-04 -4.30726392e-04] [ 3.02154825e-04 -3.71042538e-04 -3.02154824e-04] [-4.30726391e-04 -6.31134476e-04 -4.30726392e-04] [ 3.02154824e-04 3.71042538e-04 -3.02154825e-04] [ 4.30726394e-04 -6.31134481e-04 4.30726393e-04] [-3.02154826e-04 3.71042538e-04 3.02154822e-04] [-3.02154827e-04 -3.71042538e-04 3.02154823e-04] [ 4.30726395e-04 6.31134482e-04 4.30726394e-04] [-4.30726393e-04 6.31134479e-04 -4.30726394e-04] [ 3.02154826e-04 -3.71042538e-04 -3.02154826e-04] [-1.35478434e-12 -9.34807787e-14 -2.40127362e-12] [ 2.64027584e-12 1.04464470e-12 2.32432896e-12] [-1.29359011e-05 1.96092231e-04 1.93157236e-04] [-1.29359020e-05 -1.96092233e-04 1.93157235e-04] [ 1.29359112e-05 1.96092263e-04 -1.93157211e-04] [ 1.29359129e-05 -1.96092264e-04 -1.93157210e-04] [ 4.96079253e-04 -8.62254712e-13 4.96079238e-04] [-6.27232858e-04 -2.32880382e-12 6.27232903e-04] [ 6.27232893e-04 -2.20584662e-12 -6.27232868e-04] [-4.96079256e-04 -1.09273701e-12 -4.96079243e-04] [ 1.93157190e-04 1.96092279e-04 -1.29358922e-05] [-1.93157188e-04 1.96092283e-04 1.29359148e-05] [ 1.93157188e-04 -1.96092282e-04 -1.29358939e-05] [-1.93157188e-04 -1.96092283e-04 1.29359170e-05] [-1.29359101e-05 1.96092287e-04 1.93157186e-04] [-1.29359092e-05 -1.96092284e-04 1.93157189e-04] [ 1.29359010e-05 1.96092266e-04 -1.93157202e-04] [ 1.29358984e-05 -1.96092264e-04 -1.93157205e-04] [ 4.96079241e-04 -1.17200125e-12 4.96079258e-04] [-6.27232917e-04 6.70384051e-13 6.27232846e-04] [ 6.27232884e-04 1.38611376e-12 -6.27232875e-04] [-4.96079211e-04 -2.71473746e-13 -4.96079280e-04] [ 1.93157205e-04 1.96092266e-04 -1.29359182e-05] [-1.93157221e-04 1.96092247e-04 1.29358966e-05] [ 1.93157209e-04 -1.96092264e-04 -1.29359176e-05] [-1.93157225e-04 -1.96092244e-04 1.29358952e-05]] Final stress: [-1.89847263e-05 -1.28168291e-05 -1.89847263e-05 -7.09569202e-16 1.64363632e-05 -5.02463036e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.05936578e-05 6.67813027e-13 -2.10378580e-05] [ 7.05936604e-05 -4.85597673e-13 2.10378587e-05] [-2.03725925e-14 8.72506490e-04 1.79911641e-13] [ 1.13269116e-12 -8.72506488e-04 1.42053036e-12] [-2.10378578e-05 4.39162595e-13 -7.05936577e-05] [ 2.10378589e-05 -6.17089713e-13 7.05936590e-05] [-7.05936593e-05 -5.40246178e-13 -2.10378589e-05] [ 7.05936585e-05 5.50573428e-13 2.10378583e-05] [-5.62626906e-13 8.72506487e-04 -6.25685765e-13] [-1.37107270e-12 -8.72506490e-04 -1.55044262e-12] [-2.10378593e-05 3.40010464e-13 -7.05936593e-05] [ 2.10378585e-05 7.88821455e-13 7.05936590e-05] [-3.05804140e-04 -3.70390811e-04 -3.05804141e-04] [ 4.18322725e-04 6.21002863e-04 -4.18322725e-04] [ 3.05804145e-04 -3.70390812e-04 3.05804144e-04] [-4.18322725e-04 6.21002863e-04 4.18322726e-04] [-4.18322727e-04 -6.21002863e-04 4.18322728e-04] [ 3.05804142e-04 3.70390813e-04 3.05804142e-04] [-3.05804139e-04 3.70390811e-04 -3.05804140e-04] [ 4.18322728e-04 -6.21002863e-04 -4.18322727e-04] [-3.05804143e-04 -3.70390810e-04 -3.05804144e-04] [ 4.18322726e-04 6.21002865e-04 -4.18322728e-04] [ 3.05804140e-04 -3.70390812e-04 3.05804140e-04] [-4.18322727e-04 6.21002864e-04 4.18322726e-04] [-4.18322727e-04 -6.21002863e-04 4.18322725e-04] [ 3.05804141e-04 3.70390811e-04 3.05804141e-04] [-3.05804143e-04 3.70390813e-04 -3.05804143e-04] [ 4.18322725e-04 -6.21002863e-04 -4.18322728e-04] [ 8.41202108e-14 -1.65145675e-15 5.16149623e-13] [-1.48068634e-12 2.69699620e-12 -1.48629796e-12] [ 7.66572256e-06 2.01162091e-04 1.94037926e-04] [ 7.66571859e-06 -2.01162086e-04 1.94037934e-04] [-7.66570952e-06 2.01162097e-04 -1.94037922e-04] [-7.66571235e-06 -2.01162094e-04 -1.94037927e-04] [-6.21867636e-04 -1.92873495e-12 -6.21867661e-04] [ 5.03616173e-04 1.04261044e-12 -5.03616134e-04] [-5.03616158e-04 3.98847622e-13 5.03616150e-04] [ 6.21867634e-04 3.97326616e-12 6.21867661e-04] [ 1.94037912e-04 2.01162105e-04 7.66572183e-06] [-1.94037903e-04 2.01162116e-04 -7.66571071e-06] [ 1.94037919e-04 -2.01162101e-04 7.66571773e-06] [-1.94037907e-04 -2.01162114e-04 -7.66571361e-06] [ 7.66571066e-06 2.01162113e-04 1.94037907e-04] [ 7.66571287e-06 -2.01162120e-04 1.94037901e-04] [-7.66572074e-06 2.01162107e-04 -1.94037911e-04] [-7.66571949e-06 -2.01162105e-04 -1.94037913e-04] [-6.21867658e-04 -1.11328602e-12 -6.21867638e-04] [ 5.03616138e-04 -2.52748351e-12 -5.03616170e-04] [-5.03616155e-04 -3.16380800e-12 5.03616151e-04] [ 6.21867653e-04 -5.65108670e-12 6.21867644e-04] [ 1.94037930e-04 2.01162090e-04 7.66571122e-06] [-1.94037933e-04 2.01162084e-04 -7.66571906e-06] [ 1.94037923e-04 -2.01162096e-04 7.66571317e-06] [-1.94037933e-04 -2.01162085e-04 -7.66571779e-06]] Final stress: [-1.89999482e-05 -1.28273829e-05 -1.89999482e-05 -1.70212760e-16 -1.64432430e-05 1.67802111e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.25942965e-04 4.40946494e-05 1.02431952e-13] [-1.25942964e-04 -4.40946481e-05 9.74220704e-13] [ 4.33217337e-05 -6.85448136e-04 -4.88928342e-13] [-4.33217348e-05 6.85448139e-04 3.73340248e-13] [ 4.26131352e-13 -2.08777440e-13 1.26866019e-04] [-5.02126118e-13 1.05154774e-12 -1.26866020e-04] [ 1.25942965e-04 4.40946480e-05 3.44260526e-13] [-1.25942963e-04 -4.40946485e-05 -5.36891237e-13] [ 4.33217351e-05 -6.85448139e-04 -6.59388513e-13] [-4.33217341e-05 6.85448136e-04 7.61682086e-13] [-1.53985197e-13 -2.28873767e-13 1.26866021e-04] [ 1.00270238e-12 -3.60415514e-13 -1.26866019e-04] [ 2.14186699e-04 3.65925430e-04 1.12437074e-04] [-2.14186703e-04 -3.65925430e-04 1.12437076e-04] [-1.04175597e-04 2.53995025e-04 -2.08353914e-04] [ 1.04175595e-04 -2.53995022e-04 -2.08353911e-04] [ 2.14186701e-04 3.65925431e-04 -1.12437076e-04] [-2.14186700e-04 -3.65925428e-04 -1.12437074e-04] [ 1.04175597e-04 -2.53995025e-04 2.08353914e-04] [-1.04175598e-04 2.53995025e-04 2.08353912e-04] [ 2.14186700e-04 3.65925428e-04 1.12437074e-04] [-2.14186701e-04 -3.65925431e-04 1.12437075e-04] [-1.04175598e-04 2.53995025e-04 -2.08353913e-04] [ 1.04175597e-04 -2.53995025e-04 -2.08353913e-04] [ 2.14186701e-04 3.65925431e-04 -1.12437077e-04] [-2.14186700e-04 -3.65925429e-04 -1.12437074e-04] [ 1.04175599e-04 -2.53995025e-04 2.08353913e-04] [-1.04175595e-04 2.53995021e-04 2.08353911e-04] [-1.91675842e-12 2.28636554e-13 7.89084076e-13] [ 2.98884167e-13 1.02849061e-12 -1.82857495e-12] [-4.17317974e-05 -1.37900385e-04 -1.27831404e-04] [ 4.17317918e-05 1.37900394e-04 -1.27831393e-04] [-4.17317970e-05 -1.37900389e-04 1.27831402e-04] [ 4.17317944e-05 1.37900399e-04 1.27831389e-04] [ 8.91686762e-05 -4.07928169e-05 8.88183509e-05] [ 8.91686733e-05 -4.07928175e-05 -8.88183531e-05] [-8.91686831e-05 4.07928248e-05 8.88183429e-05] [-8.91686804e-05 4.07928250e-05 -8.88183446e-05] [ 4.30445764e-04 4.18388402e-04 -1.02146069e-12] [ 6.87935605e-04 -6.96708672e-04 -2.70267142e-12] [-6.87935600e-04 6.96708674e-04 -2.48634446e-13] [-4.30445774e-04 -4.18388393e-04 -1.06165077e-12] [-4.17317924e-05 -1.37900449e-04 -1.27831340e-04] [ 4.17317982e-05 1.37900445e-04 -1.27831346e-04] [-4.17317927e-05 -1.37900448e-04 1.27831341e-04] [ 4.17317971e-05 1.37900442e-04 1.27831348e-04] [ 8.91687307e-05 -4.07928266e-05 8.88182952e-05] [ 8.91687350e-05 -4.07928247e-05 -8.88182913e-05] [-8.91687287e-05 4.07928167e-05 8.88182965e-05] [-8.91687311e-05 4.07928172e-05 -8.88182947e-05] [ 4.30445724e-04 4.18388443e-04 1.25072439e-12] [ 6.87935654e-04 -6.96708621e-04 3.09546885e-12] [-6.87935658e-04 6.96708619e-04 1.06006109e-12] [-4.30445706e-04 -4.18388460e-04 1.57871466e-12]] Final stress: [ 1.03723244e-05 3.80935416e-06 1.04276562e-05 2.77181982e-15 -5.24013124e-17 1.61036920e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.27807754e-04 5.51542438e-04 1.17586496e-13] [-5.27807757e-04 -5.51542437e-04 -4.59604577e-13] [ 5.55911822e-04 -2.18841550e-03 -1.28774769e-12] [-5.55911823e-04 2.18841551e-03 -3.38826189e-13] [-3.06227266e-13 8.62337979e-13 5.31605680e-04] [ 7.81708032e-13 9.97354976e-13 -5.31605676e-04] [ 5.27807754e-04 5.51542434e-04 1.33049600e-12] [-5.27807754e-04 -5.51542436e-04 1.83360280e-12] [ 5.55911825e-04 -2.18841551e-03 -1.39784540e-12] [-5.55911824e-04 2.18841550e-03 1.05472434e-13] [ 6.56888143e-13 1.88226023e-13 5.31605673e-04] [-1.12380774e-13 -8.08828360e-13 -5.31605679e-04] [ 1.08141885e-04 3.20306669e-04 5.88791189e-04] [-1.08141883e-04 -3.20306664e-04 5.88791187e-04] [-7.64258902e-04 9.70917544e-04 -3.17871741e-04] [ 7.64258904e-04 -9.70917543e-04 -3.17871743e-04] [ 1.08141884e-04 3.20306670e-04 -5.88791188e-04] [-1.08141887e-04 -3.20306668e-04 -5.88791189e-04] [ 7.64258898e-04 -9.70917537e-04 3.17871738e-04] [-7.64258896e-04 9.70917537e-04 3.17871736e-04] [ 1.08141885e-04 3.20306669e-04 5.88791191e-04] [-1.08141883e-04 -3.20306670e-04 5.88791187e-04] [-7.64258899e-04 9.70917536e-04 -3.17871738e-04] [ 7.64258898e-04 -9.70917535e-04 -3.17871735e-04] [ 1.08141882e-04 3.20306665e-04 -5.88791186e-04] [-1.08141883e-04 -3.20306670e-04 -5.88791189e-04] [ 7.64258902e-04 -9.70917541e-04 3.17871740e-04] [-7.64258905e-04 9.70917541e-04 3.17871744e-04] [ 3.18656906e-12 -1.34803280e-12 -4.61931188e-12] [-1.37397165e-12 3.58091452e-13 4.88291183e-12] [-1.66314770e-04 -5.55104145e-04 -5.05852817e-04] [ 1.66314763e-04 5.55104156e-04 -5.05852803e-04] [-1.66314770e-04 -5.55104122e-04 5.05852834e-04] [ 1.66314761e-04 5.55104134e-04 5.05852819e-04] [-1.99522165e-04 -1.66162296e-04 -2.07022798e-04] [-1.99522168e-04 -1.66162296e-04 2.07022794e-04] [ 1.99522154e-04 1.66162311e-04 -2.07022810e-04] [ 1.99522159e-04 1.66162309e-04 2.07022804e-04] [-2.84724763e-03 -2.89700277e-03 1.55819802e-12] [-1.81830211e-03 1.75468314e-03 3.15752979e-12] [ 1.81830212e-03 -1.75468313e-03 3.02569081e-12] [ 2.84724761e-03 2.89700279e-03 2.24481544e-12] [-1.66314766e-04 -5.55104347e-04 -5.05852610e-04] [ 1.66314774e-04 5.55104334e-04 -5.05852624e-04] [-1.66314768e-04 -5.55104342e-04 5.05852616e-04] [ 1.66314775e-04 5.55104327e-04 5.05852632e-04] [-1.99521951e-04 -1.66162305e-04 -2.07023011e-04] [-1.99521970e-04 -1.66162306e-04 2.07022994e-04] [ 1.99521956e-04 1.66162291e-04 -2.07023005e-04] [ 1.99521973e-04 1.66162292e-04 2.07022991e-04] [-2.84724780e-03 -2.89700260e-03 -3.03309686e-12] [-1.81830192e-03 1.75468334e-03 -4.39460281e-12] [ 1.81830191e-03 -1.75468334e-03 -5.23263415e-12] [ 2.84724782e-03 2.89700257e-03 -4.58500188e-12]] Final stress: [ 1.33456271e-05 -5.37606624e-06 1.42473185e-05 -3.68276423e-16 -8.36324945e-16 -1.67360373e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-8.21885320e-05 2.17060320e-05 1.22822585e-12] [ 8.21885340e-05 -2.17060336e-05 1.71265779e-13] [ 2.25582735e-05 8.65531622e-04 2.18200458e-13] [-2.25582752e-05 -8.65531616e-04 5.01071407e-13] [-1.53876911e-12 -7.94905808e-13 -8.12927181e-05] [ 2.74835710e-13 -8.68805028e-13 8.12927188e-05] [-8.21885337e-05 2.17060352e-05 -1.61416718e-12] [ 8.21885318e-05 -2.17060346e-05 4.39701417e-13] [ 2.25582740e-05 8.65531615e-04 4.66430657e-13] [-2.25582731e-05 -8.65531620e-04 -1.35195471e-13] [ 1.62133125e-12 -4.20054012e-13 -8.12927187e-05] [ 2.62907731e-13 -6.37738384e-13 8.12927161e-05] [-4.19996237e-04 -5.55786153e-04 -4.85615355e-04] [ 4.19996233e-04 5.55786149e-04 -4.85615349e-04] [ 2.92967042e-04 -4.26540835e-04 2.24920995e-04] [-2.92967042e-04 4.26540834e-04 2.24920991e-04] [-4.19996237e-04 -5.55786153e-04 4.85615355e-04] [ 4.19996231e-04 5.55786149e-04 4.85615351e-04] [-2.92967044e-04 4.26540836e-04 -2.24920993e-04] [ 2.92967043e-04 -4.26540834e-04 -2.24920991e-04] [-4.19996232e-04 -5.55786150e-04 -4.85615350e-04] [ 4.19996236e-04 5.55786154e-04 -4.85615357e-04] [ 2.92967044e-04 -4.26540834e-04 2.24920991e-04] [-2.92967043e-04 4.26540833e-04 2.24920993e-04] [-4.19996229e-04 -5.55786149e-04 4.85615350e-04] [ 4.19996237e-04 5.55786154e-04 4.85615355e-04] [-2.92967045e-04 4.26540835e-04 -2.24920994e-04] [ 2.92967042e-04 -4.26540832e-04 -2.24920992e-04] [-3.01969560e-12 -5.76497877e-12 9.95377392e-13] [ 2.50749741e-12 3.40223808e-12 1.32359516e-12] [-3.88123073e-06 1.91898899e-04 1.96373409e-04] [ 3.88123278e-06 -1.91898893e-04 1.96373419e-04] [-3.88123397e-06 1.91898909e-04 -1.96373401e-04] [ 3.88122965e-06 -1.91898902e-04 -1.96373411e-04] [-5.63339809e-05 -4.91088287e-06 -5.67422647e-05] [-5.63339653e-05 -4.91088317e-06 5.67422775e-05] [ 5.63339738e-05 4.91089170e-06 -5.67422722e-05] [ 5.63339640e-05 4.91089161e-06 5.67422784e-05] [ 7.52558446e-04 7.49163715e-04 1.69497749e-12] [ 3.61629780e-04 -3.68008412e-04 5.76666492e-12] [-3.61629778e-04 3.68008412e-04 1.34992018e-12] [-7.52558452e-04 -7.49163710e-04 5.44020384e-12] [-3.88122928e-06 1.91899047e-04 1.96373266e-04] [ 3.88122821e-06 -1.91899050e-04 1.96373260e-04] [-3.88122490e-06 1.91899037e-04 -1.96373275e-04] [ 3.88123172e-06 -1.91899040e-04 -1.96373269e-04] [-5.63341071e-05 -4.91089276e-06 -5.67421369e-05] [-5.63341196e-05 -4.91089331e-06 5.67421262e-05] [ 5.63341127e-05 4.91088708e-06 -5.67421318e-05] [ 5.63341173e-05 4.91088695e-06 5.67421282e-05] [ 7.52558596e-04 7.49163568e-04 -2.75267997e-12] [ 3.61629630e-04 -3.68008559e-04 -5.92486568e-12] [-3.61629637e-04 3.68008554e-04 -3.65841542e-12] [-7.52558581e-04 -7.49163579e-04 -6.69098479e-12]] Final stress: [-1.90418619e-05 -1.27539866e-05 -1.89888077e-05 -4.81500874e-16 1.22293256e-15 1.64552502e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-9.18671710e-05 -1.95916707e-05 -1.05411513e-12] [ 9.18671722e-05 1.95916700e-05 -2.06556994e-13] [-2.04386868e-05 8.63033046e-04 5.04374320e-13] [ 2.04386880e-05 -8.63033060e-04 3.57339158e-13] [ 3.36203287e-13 1.15310539e-13 -9.09900735e-05] [-1.01724185e-14 5.70404834e-13 9.09900791e-05] [-9.18671717e-05 -1.95916718e-05 1.79706966e-13] [ 9.18671712e-05 1.95916709e-05 3.41541181e-13] [-2.04386877e-05 8.63033061e-04 8.60155923e-14] [ 2.04386864e-05 -8.63033044e-04 3.76137530e-13] [-8.13846780e-13 1.21230766e-13 -9.09900772e-05] [-7.73149157e-13 1.61565910e-14 9.09900743e-05] [-2.87846650e-04 -4.20639168e-04 -2.21134438e-04] [ 2.87846658e-04 4.20639170e-04 -2.21134445e-04] [ 4.17316697e-04 -5.52280293e-04 4.81614360e-04] [-4.17316703e-04 5.52280296e-04 4.81614368e-04] [-2.87846649e-04 -4.20639166e-04 2.21134436e-04] [ 2.87846658e-04 4.20639170e-04 2.21134445e-04] [-4.17316705e-04 5.52280298e-04 -4.81614369e-04] [ 4.17316700e-04 -5.52280297e-04 -4.81614364e-04] [-2.87846657e-04 -4.20639168e-04 -2.21134444e-04] [ 2.87846649e-04 4.20639165e-04 -2.21134438e-04] [ 4.17316705e-04 -5.52280300e-04 4.81614369e-04] [-4.17316701e-04 5.52280298e-04 4.81614364e-04] [-2.87846659e-04 -4.20639170e-04 2.21134444e-04] [ 2.87846651e-04 4.20639168e-04 2.21134438e-04] [-4.17316696e-04 5.52280293e-04 -4.81614361e-04] [ 4.17316702e-04 -5.52280296e-04 -4.81614366e-04] [ 4.15514845e-13 8.06461148e-12 -3.85187715e-12] [-8.69189851e-13 -1.06012539e-11 2.07363955e-12] [-1.56966626e-06 1.88880094e-04 1.98917227e-04] [ 1.56967301e-06 -1.88880128e-04 1.98917183e-04] [-1.56966477e-06 1.88880097e-04 -1.98917226e-04] [ 1.56967308e-06 -1.88880131e-04 -1.98917182e-04] [-5.07486493e-05 -5.57999975e-07 -5.11551500e-05] [-5.07486348e-05 -5.57998683e-07 5.11551610e-05] [ 5.07486587e-05 5.57967274e-07 -5.11551382e-05] [ 5.07486429e-05 5.57966595e-07 5.11551524e-05] [-3.57877753e-04 -3.69814481e-04 4.45454784e-12] [-7.53906466e-04 7.44947092e-04 4.02516909e-12] [ 7.53906441e-04 -7.44947106e-04 6.26704244e-12] [ 3.57877789e-04 3.69814453e-04 4.10493861e-12] [-1.56967317e-06 1.88880083e-04 1.98917232e-04] [ 1.56966789e-06 -1.88880061e-04 1.98917262e-04] [-1.56967606e-06 1.88880066e-04 -1.98917245e-04] [ 1.56966713e-06 -1.88880046e-04 -1.98917275e-04] [-5.07485993e-05 -5.57965344e-07 -5.11551960e-05] [-5.07486022e-05 -5.57965008e-07 5.11551946e-05] [ 5.07485928e-05 5.57997919e-07 -5.11552039e-05] [ 5.07485971e-05 5.57999017e-07 5.11552011e-05] [-3.57877845e-04 -3.69814397e-04 -3.85250949e-12] [-7.53906385e-04 7.44947161e-04 -4.03812651e-12] [ 7.53906420e-04 -7.44947138e-04 -4.52109576e-12] [ 3.57877793e-04 3.69814442e-04 -2.90160895e-12]] Final stress: [-1.90897795e-05 -1.26125648e-05 -1.90368450e-05 3.63064655e-16 3.06466816e-16 -1.64696189e-05] Minimization converged after 6 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.40894913e-04 -1.15393806e-13 8.30446822e-14] [-1.40894913e-04 9.29673005e-14 2.40224507e-13] [ 1.21014310e-13 1.40637716e-04 -2.01879348e-04] [-6.86395385e-13 -1.40637717e-04 2.01879348e-04] [ 1.42511003e-13 -2.02004615e-04 -5.84599668e-04] [ 1.04846687e-13 2.02004616e-04 5.84599667e-04] [ 1.40894912e-04 -5.61061904e-13 -1.33076332e-13] [-1.40894914e-04 -5.22161998e-13 -3.42763104e-13] [ 2.33585931e-13 1.40637717e-04 -2.01879348e-04] [ 2.74663986e-13 -1.40637716e-04 2.01879348e-04] [-4.74816677e-14 -2.02004615e-04 -5.84599667e-04] [ 2.40492637e-13 2.02004615e-04 5.84599668e-04] [ 8.18245045e-05 2.00954920e-04 2.05316359e-04] [-1.84270294e-04 -6.30283866e-05 6.66955069e-05] [-1.84270296e-04 6.30283873e-05 -6.66955080e-05] [ 8.18245037e-05 -2.00954919e-04 -2.05316357e-04] [ 1.84270294e-04 6.30283857e-05 -6.66955059e-05] [-8.18245035e-05 -2.00954919e-04 -2.05316358e-04] [ 1.84270295e-04 -6.30283861e-05 6.66955063e-05] [-8.18245057e-05 2.00954921e-04 2.05316360e-04] [ 8.18245040e-05 2.00954919e-04 2.05316358e-04] [-1.84270294e-04 -6.30283859e-05 6.66955059e-05] [-1.84270294e-04 6.30283863e-05 -6.66955060e-05] [ 8.18245050e-05 -2.00954921e-04 -2.05316360e-04] [ 1.84270295e-04 6.30283859e-05 -6.66955067e-05] [-8.18245048e-05 -2.00954920e-04 -2.05316359e-04] [ 1.84270296e-04 -6.30283875e-05 6.66955071e-05] [-8.18245038e-05 2.00954919e-04 2.05316358e-04] [-4.75057493e-13 1.02399339e-12 6.92917945e-13] [ 2.12102981e-12 -1.21777632e-12 -1.04843739e-12] [ 5.97910610e-13 5.05975795e-04 5.26061063e-04] [ 1.89454008e-12 8.46163681e-04 -8.22388726e-04] [ 1.05904174e-12 -8.46163681e-04 8.22388725e-04] [ 1.73355774e-12 -5.05975799e-04 -5.26061059e-04] [-1.69236069e-04 3.02120526e-05 -1.46979610e-04] [-1.69236066e-04 -3.02120532e-05 1.46979613e-04] [ 1.69236071e-04 3.02120528e-05 -1.46979607e-04] [ 1.69236067e-04 -3.02120533e-05 1.46979610e-04] [-7.66175953e-05 -7.62866166e-05 3.21966469e-05] [ 7.66175977e-05 -7.62866132e-05 3.21966464e-05] [-7.66175939e-05 7.62866181e-05 -3.21966444e-05] [ 7.66175953e-05 7.62866157e-05 -3.21966451e-05] [-1.07257067e-12 5.05975858e-04 5.26060999e-04] [-9.71411939e-13 8.46163619e-04 -8.22388788e-04] [-1.61571381e-12 -8.46163624e-04 8.22388783e-04] [-1.28424557e-12 -5.05975857e-04 -5.26061001e-04] [-1.69236129e-04 3.02120523e-05 -1.46979549e-04] [-1.69236130e-04 -3.02120529e-05 1.46979547e-04] [ 1.69236126e-04 3.02120532e-05 -1.46979552e-04] [ 1.69236128e-04 -3.02120513e-05 1.46979550e-04] [-7.66175381e-05 -7.62866737e-05 3.21966454e-05] [ 7.66175357e-05 -7.62866765e-05 3.21966454e-05] [-7.66175351e-05 7.62866761e-05 -3.21966472e-05] [ 7.66175334e-05 7.62866781e-05 -3.21966471e-05]] Final stress: [1.01412429e-05 1.00805138e-05 4.34443506e-06 1.66729913e-05 5.07244704e-17 8.20604551e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.32705944e-04 7.75352005e-14 -5.10563813e-14] [-1.32705946e-04 6.06181771e-14 -3.03465586e-13] [-6.77083389e-13 1.31743148e-04 -3.89665349e-05] [-6.67799149e-14 -1.31743148e-04 3.89665335e-05] [-3.07406878e-13 -3.81659546e-05 -7.02906260e-04] [-4.23147628e-13 3.81659540e-05 7.02906261e-04] [ 1.32705944e-04 3.54046611e-13 6.76157827e-13] [-1.32705945e-04 5.32579087e-13 9.16274570e-14] [ 2.75394395e-13 1.31743147e-04 -3.89665340e-05] [ 3.88138604e-13 -1.31743148e-04 3.89665346e-05] [ 7.91770231e-14 -3.81659541e-05 -7.02906259e-04] [ 6.04506049e-13 3.81659538e-05 7.02906260e-04] [ 2.42214035e-04 1.47730098e-04 2.73612572e-04] [-1.09318858e-04 -2.01274413e-04 3.29383704e-04] [-1.09318859e-04 2.01274413e-04 -3.29383705e-04] [ 2.42214036e-04 -1.47730100e-04 -2.73612573e-04] [ 1.09318857e-04 2.01274411e-04 -3.29383703e-04] [-2.42214036e-04 -1.47730100e-04 -2.73612574e-04] [ 1.09318857e-04 -2.01274412e-04 3.29383703e-04] [-2.42214035e-04 1.47730099e-04 2.73612572e-04] [ 2.42214036e-04 1.47730100e-04 2.73612574e-04] [-1.09318857e-04 -2.01274412e-04 3.29383703e-04] [-1.09318857e-04 2.01274413e-04 -3.29383703e-04] [ 2.42214035e-04 -1.47730098e-04 -2.73612572e-04] [ 1.09318858e-04 2.01274413e-04 -3.29383703e-04] [-2.42214034e-04 -1.47730099e-04 -2.73612572e-04] [ 1.09318860e-04 -2.01274414e-04 3.29383704e-04] [-2.42214036e-04 1.47730100e-04 2.73612574e-04] [ 3.35981243e-14 -1.86448079e-14 -1.53589641e-12] [ 1.70455122e-12 4.89350060e-13 5.14807417e-13] [-2.56755728e-12 -7.55454935e-04 -7.02241669e-04] [-1.92562633e-12 -4.17904906e-04 4.67846091e-04] [-2.35439446e-12 4.17904909e-04 -4.67846087e-04] [-2.50960364e-12 7.55454938e-04 7.02241666e-04] [-1.67804691e-04 6.41721363e-05 -1.15859533e-04] [-1.67804694e-04 -6.41721373e-05 1.15859529e-04] [ 1.67804686e-04 6.41721367e-05 -1.15859538e-04] [ 1.67804691e-04 -6.41721369e-05 1.15859533e-04] [ 9.92491101e-05 9.96214823e-05 6.29221666e-05] [-9.92491129e-05 9.96214789e-05 6.29221667e-05] [ 9.92491047e-05 -9.96214872e-05 -6.29221674e-05] [-9.92491092e-05 -9.96214822e-05 -6.29221683e-05] [ 1.84751399e-12 -7.55454960e-04 -7.02241644e-04] [ 8.48874082e-13 -4.17904879e-04 4.67846118e-04] [ 2.34648569e-12 4.17904887e-04 -4.67846110e-04] [ 1.93655198e-12 7.55454961e-04 7.02241643e-04] [-1.67804664e-04 6.41721366e-05 -1.15859561e-04] [-1.67804664e-04 -6.41721367e-05 1.15859561e-04] [ 1.67804668e-04 6.41721367e-05 -1.15859556e-04] [ 1.67804669e-04 -6.41721355e-05 1.15859557e-04] [ 9.92490887e-05 9.96215023e-05 6.29221692e-05] [-9.92490839e-05 9.96215082e-05 6.29221683e-05] [ 9.92490852e-05 -9.96215050e-05 -6.29221669e-05] [-9.92490809e-05 -9.96215117e-05 -6.29221671e-05]] Final stress: [ 1.00528450e-05 9.99601341e-06 4.49907087e-06 -1.61321751e-05 -6.00728645e-16 6.05863973e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.87420355e-05 2.62692645e-13 -2.89865354e-13] [ 7.87420370e-05 2.41806575e-13 3.09613446e-14] [-8.18983770e-13 -7.96263445e-05 1.49899035e-05] [-5.24968957e-13 7.96263431e-05 -1.49899029e-05] [-3.98833744e-13 1.58250969e-05 8.62428629e-04] [-1.45178314e-12 -1.58250946e-05 -8.62428633e-04] [-7.87420374e-05 -1.25154036e-12 -1.25954306e-13] [ 7.87420355e-05 -1.39662213e-12 -3.94987428e-13] [ 1.03710005e-12 -7.96263424e-05 1.49899042e-05] [ 3.71660846e-13 7.96263450e-05 -1.49899042e-05] [-3.58384458e-13 1.58250951e-05 8.62428632e-04] [ 2.88845723e-13 -1.58250957e-05 -8.62428629e-04] [-4.84393651e-04 -4.17620890e-04 -5.47246380e-04] [ 2.26095976e-04 2.95299487e-04 -4.22718482e-04] [ 2.26095976e-04 -2.95299487e-04 4.22718480e-04] [-4.84393656e-04 4.17620895e-04 5.47246387e-04] [-2.26095978e-04 -2.95299488e-04 4.22718483e-04] [ 4.84393653e-04 4.17620894e-04 5.47246383e-04] [-2.26095979e-04 2.95299489e-04 -4.22718484e-04] [ 4.84393650e-04 -4.17620890e-04 -5.47246381e-04] [-4.84393653e-04 -4.17620893e-04 -5.47246383e-04] [ 2.26095979e-04 2.95299489e-04 -4.22718482e-04] [ 2.26095979e-04 -2.95299491e-04 4.22718483e-04] [-4.84393651e-04 4.17620890e-04 5.47246381e-04] [-2.26095976e-04 -2.95299488e-04 4.22718481e-04] [ 4.84393651e-04 4.17620889e-04 5.47246382e-04] [-2.26095975e-04 2.95299487e-04 -4.22718480e-04] [ 4.84393657e-04 -4.17620896e-04 -5.47246386e-04] [-3.23379518e-12 3.06108611e-12 2.64049893e-12] [ 2.27318487e-12 -4.61850687e-12 -1.95406520e-12] [-3.28959082e-13 7.60949590e-04 7.60956537e-04] [-1.54259938e-12 3.64843077e-04 -3.67852339e-04] [-8.74300632e-14 -3.64843086e-04 3.67852331e-04] [-1.77635684e-15 -7.60949583e-04 -7.60956541e-04] [ 1.98966812e-04 -4.72885567e-06 1.97877218e-04] [ 1.98966804e-04 4.72885881e-06 -1.97877224e-04] [-1.98966812e-04 -4.72885587e-06 1.97877218e-04] [-1.98966807e-04 4.72885894e-06 -1.97877221e-04] [-5.05032142e-05 -5.00961274e-05 -5.81242190e-06] [ 5.05032092e-05 -5.00961326e-05 -5.81242380e-06] [-5.05032064e-05 5.00961356e-05 5.81241818e-06] [ 5.05032022e-05 5.00961407e-05 5.81241579e-06] [ 2.85466473e-12 7.60949525e-04 7.60956601e-04] [ 2.06512273e-12 3.64843131e-04 -3.67852287e-04] [ 5.46029453e-13 -3.64843134e-04 3.67852282e-04] [ 5.77668598e-13 -7.60949539e-04 -7.60956588e-04] [ 1.98966860e-04 -4.72885587e-06 1.97877169e-04] [ 1.98966869e-04 4.72885527e-06 -1.97877162e-04] [-1.98966857e-04 -4.72885665e-06 1.97877171e-04] [-1.98966863e-04 4.72885362e-06 -1.97877166e-04] [-5.05032617e-05 -5.00960812e-05 -5.81241869e-06] [ 5.05032630e-05 -5.00960804e-05 -5.81241723e-06] [-5.05032601e-05 5.00960820e-05 5.81242449e-06] [ 5.05032608e-05 5.00960815e-05 5.81242532e-06]] Final stress: [-1.89377047e-05 -1.89911819e-05 -1.28616809e-05 1.64616013e-05 -5.49627902e-16 -6.81060661e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-8.37004946e-05 -4.85902985e-13 -3.19799742e-13] [ 8.37004982e-05 -1.55181423e-13 9.91956517e-13] [ 2.61846100e-13 -8.46428133e-05 -2.65467721e-05] [-4.67362260e-13 8.46428147e-05 2.65467721e-05] [-5.32351940e-14 -2.74185936e-05 8.78582195e-04] [-6.17325635e-13 2.74185947e-05 -8.78582198e-04] [-8.37004980e-05 -4.00911311e-13 -1.77369797e-13] [ 8.37004959e-05 -1.06221750e-12 -4.24259992e-13] [-4.26554771e-13 -8.46428140e-05 -2.65467724e-05] [ 9.56820072e-14 8.46428145e-05 2.65467728e-05] [ 1.58902337e-13 -2.74185927e-05 8.78582197e-04] [ 9.00276896e-13 2.74185940e-05 -8.78582195e-04] [-2.29713016e-04 -2.89610144e-04 -4.05447241e-04] [ 5.20932558e-04 4.63541399e-04 -5.81832625e-04] [ 5.20932561e-04 -4.63541402e-04 5.81832625e-04] [-2.29713016e-04 2.89610146e-04 4.05447242e-04] [-5.20932559e-04 -4.63541402e-04 5.81832625e-04] [ 2.29713015e-04 2.89610143e-04 4.05447240e-04] [-5.20932558e-04 4.63541401e-04 -5.81832625e-04] [ 2.29713013e-04 -2.89610141e-04 -4.05447238e-04] [-2.29713014e-04 -2.89610144e-04 -4.05447239e-04] [ 5.20932559e-04 4.63541402e-04 -5.81832626e-04] [ 5.20932558e-04 -4.63541400e-04 5.81832625e-04] [-2.29713014e-04 2.89610141e-04 4.05447238e-04] [-5.20932557e-04 -4.63541400e-04 5.81832624e-04] [ 2.29713015e-04 2.89610144e-04 4.05447242e-04] [-5.20932559e-04 4.63541402e-04 -5.81832628e-04] [ 2.29713017e-04 -2.89610146e-04 -4.05447241e-04] [-2.52549370e-12 -6.45747344e-13 2.58114363e-12] [ 1.80820781e-12 -7.00688811e-13 -1.82351802e-12] [ 8.90065799e-13 -3.66864315e-04 -3.88986838e-04] [-8.29336599e-14 -7.83695123e-04 7.64558894e-04] [ 5.20250509e-13 7.83695114e-04 -7.64558903e-04] [ 4.55135929e-12 3.66864317e-04 3.88986838e-04] [ 2.09369677e-04 2.79980037e-05 1.89163041e-04] [ 2.09369673e-04 -2.79979990e-05 -1.89163045e-04] [-2.09369672e-04 2.79980010e-05 1.89163047e-04] [-2.09369672e-04 -2.79979991e-05 -1.89163047e-04] [-6.57801205e-05 -6.53619120e-05 2.92212832e-05] [ 6.57801246e-05 -6.53619051e-05 2.92212798e-05] [-6.57801130e-05 6.53619190e-05 -2.92212843e-05] [ 6.57801160e-05 6.53619128e-05 -2.92212862e-05] [-1.52712202e-12 -3.66864344e-04 -3.88986812e-04] [-1.55525292e-12 -7.83695101e-04 7.64558915e-04] [-2.91348966e-12 7.83695095e-04 -7.64558923e-04] [-4.63947917e-12 3.66864333e-04 3.88986822e-04] [ 2.09369688e-04 2.79979989e-05 1.89163029e-04] [ 2.09369696e-04 -2.79980016e-05 -1.89163022e-04] [-2.09369694e-04 2.79980019e-05 1.89163023e-04] [-2.09369697e-04 -2.79980020e-05 -1.89163021e-04] [-6.57801425e-05 -6.53618870e-05 2.92212831e-05] [ 6.57801386e-05 -6.53618919e-05 2.92212870e-05] [-6.57801389e-05 6.53618918e-05 -2.92212812e-05] [ 6.57801381e-05 6.53618938e-05 -2.92212810e-05]] Final stress: [-1.86888880e-05 -1.87426951e-05 -1.32444268e-05 -1.64540259e-05 1.14034164e-15 -3.49020006e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.26060861e-04 -1.25274791e-13 4.62931116e-05] [-1.26060857e-04 -1.47715173e-13 -4.62931111e-05] [ 4.27977098e-13 1.26999008e-04 -1.04388720e-13] [-2.55226396e-13 -1.26999005e-04 -6.40307252e-13] [ 4.55121630e-05 -2.40779618e-14 -6.88944094e-04] [-4.55121638e-05 -1.93609018e-13 6.88944093e-04] [ 1.26060856e-04 -6.12818303e-13 4.62931110e-05] [-1.26060862e-04 1.29305075e-13 -4.62931115e-05] [ 3.18964052e-13 1.26999007e-04 4.69677484e-14] [-1.64758330e-13 -1.26999008e-04 -3.86940439e-14] [ 4.55121641e-05 -1.37408576e-14 -6.88944094e-04] [-4.55121638e-05 -1.58484472e-13 6.88944093e-04] [ 2.13699124e-04 1.13920490e-04 3.60332770e-04] [-1.13394207e-04 -2.15630460e-04 2.58033301e-04] [-2.13699123e-04 1.13920489e-04 -3.60332770e-04] [ 1.13394204e-04 -2.15630457e-04 -2.58033297e-04] [ 1.13394204e-04 2.15630458e-04 -2.58033297e-04] [-2.13699127e-04 -1.13920492e-04 -3.60332773e-04] [ 2.13699123e-04 -1.13920489e-04 3.60332769e-04] [-1.13394205e-04 2.15630461e-04 2.58033300e-04] [ 2.13699127e-04 1.13920492e-04 3.60332774e-04] [-1.13394204e-04 -2.15630457e-04 2.58033297e-04] [-2.13699124e-04 1.13920488e-04 -3.60332770e-04] [ 1.13394206e-04 -2.15630461e-04 -2.58033299e-04] [ 1.13394207e-04 2.15630462e-04 -2.58033301e-04] [-2.13699124e-04 -1.13920489e-04 -3.60332770e-04] [ 2.13699123e-04 -1.13920489e-04 3.60332770e-04] [-1.13394205e-04 2.15630457e-04 2.58033297e-04] [-4.27878566e-12 -2.05743755e-12 9.27077859e-13] [ 3.78964853e-12 3.54278303e-13 -4.97200999e-13] [-4.93552895e-05 -1.30025679e-04 -1.38976008e-04] [-4.93552926e-05 1.30025683e-04 -1.38976003e-04] [ 4.93553038e-05 -1.30025683e-04 1.38976006e-04] [ 4.93553011e-05 1.30025687e-04 1.38976001e-04] [ 4.33984405e-04 2.69273492e-12 4.23039094e-04] [-6.95894173e-04 1.86978211e-12 7.03545800e-04] [ 6.95894181e-04 1.80971904e-12 -7.03545789e-04] [-4.33984393e-04 2.70322653e-12 -4.23039109e-04] [ 9.21218521e-05 9.17692992e-05 -4.83610439e-05] [-9.21218455e-05 9.17693089e-05 4.83610433e-05] [ 9.21218579e-05 -9.17692955e-05 -4.83610458e-05] [-9.21218508e-05 -9.17693044e-05 4.83610427e-05] [-4.93553017e-05 -1.30025718e-04 -1.38975971e-04] [-4.93553016e-05 1.30025712e-04 -1.38975977e-04] [ 4.93552929e-05 -1.30025714e-04 1.38975973e-04] [ 4.93552911e-05 1.30025710e-04 1.38975977e-04] [ 4.33984425e-04 -1.73505239e-12 4.23039078e-04] [-6.95894148e-04 -1.80265568e-12 7.03545821e-04] [ 6.95894144e-04 -2.85442774e-12 -7.03545828e-04] [-4.33984435e-04 -3.53171139e-12 -4.23039066e-04] [ 9.21218188e-05 9.17693371e-05 -4.83610423e-05] [-9.21218282e-05 9.17693241e-05 4.83610456e-05] [ 9.21218123e-05 -9.17693430e-05 -4.83610425e-05] [-9.21218247e-05 -9.17693251e-05 4.83610445e-05]] Final stress: [ 1.02850033e-05 1.03407125e-05 3.96919804e-06 -8.50368497e-16 1.60959269e-05 -6.26090880e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.58705872e-04 2.99898995e-14 -1.11120428e-05] [-1.58705878e-04 5.42718648e-13 1.11120421e-05] [ 6.14910900e-13 1.59579454e-04 -5.93969318e-14] [-1.81257787e-13 -1.59579447e-04 5.73846526e-14] [-1.03505445e-05 4.09672296e-14 -7.10141740e-04] [ 1.03505459e-05 -4.54816740e-13 7.10141738e-04] [ 1.58705879e-04 5.24987390e-13 -1.11120422e-05] [-1.58705873e-04 9.74152670e-14 1.11120425e-05] [-9.33401080e-13 1.59579446e-04 1.63999776e-13] [-1.15297122e-13 -1.59579455e-04 -2.34870784e-14] [-1.03505461e-05 4.01937554e-14 -7.10141737e-04] [ 1.03505449e-05 1.47642586e-15 7.10141740e-04] [ 1.68027873e-04 2.53679675e-04 2.75796297e-04] [-1.71751167e-04 -8.85978047e-05 2.81628558e-04] [-1.68027869e-04 2.53679669e-04 -2.75796294e-04] [ 1.71751169e-04 -8.85978061e-05 -2.81628561e-04] [ 1.71751164e-04 8.85978056e-05 -2.81628557e-04] [-1.68027873e-04 -2.53679672e-04 -2.75796298e-04] [ 1.68027877e-04 -2.53679675e-04 2.75796301e-04] [-1.71751163e-04 8.85978020e-05 2.81628553e-04] [ 1.68027874e-04 2.53679672e-04 2.75796298e-04] [-1.71751165e-04 -8.85978051e-05 2.81628558e-04] [-1.68027876e-04 2.53679675e-04 -2.75796300e-04] [ 1.71751163e-04 -8.85978021e-05 -2.81628554e-04] [ 1.71751167e-04 8.85978035e-05 -2.81628558e-04] [-1.68027873e-04 -2.53679675e-04 -2.75796297e-04] [ 1.68027869e-04 -2.53679670e-04 2.75796294e-04] [-1.71751168e-04 8.85978070e-05 2.81628561e-04] [ 4.57440336e-12 -4.28168612e-12 5.38666334e-13] [-4.63155248e-12 5.58794578e-12 -1.59070574e-12] [ 4.80816116e-05 -2.02121242e-04 -8.32661343e-05] [ 4.80816128e-05 2.02121262e-04 -8.32661089e-05] [-4.80816232e-05 -2.02121252e-04 8.32661263e-05] [-4.80816224e-05 2.02121272e-04 8.32661005e-05] [-8.02950120e-04 8.53356275e-12 -6.82858618e-04] [ 3.96787105e-04 9.75797221e-12 -5.13648662e-04] [-3.96787118e-04 7.17070847e-12 5.13648649e-04] [ 8.02950118e-04 7.89834864e-12 6.82858624e-04] [ 7.85256112e-05 7.81429772e-05 4.67113281e-05] [-7.85256176e-05 7.81429674e-05 -4.67113334e-05] [ 7.85256234e-05 -7.81429692e-05 4.67113276e-05] [-7.85256337e-05 -7.81429551e-05 -4.67113346e-05] [ 4.80816244e-05 -2.02121091e-04 -8.32662813e-05] [ 4.80816219e-05 2.02121080e-04 -8.32662964e-05] [-4.80816127e-05 -2.02121085e-04 8.32662863e-05] [-4.80816146e-05 2.02121077e-04 8.32662985e-05] [-8.02950294e-04 -9.71289895e-12 -6.82858448e-04] [ 3.96786948e-04 -1.02579416e-11 -5.13648818e-04] [-3.96786931e-04 -7.95914683e-12 5.13648837e-04] [ 8.02950293e-04 -8.44282844e-12 6.82858444e-04] [ 7.85258102e-05 7.81427791e-05 4.67113333e-05] [-7.85258038e-05 7.81427891e-05 -4.67113265e-05] [ 7.85257874e-05 -7.81427971e-05 4.67113334e-05] [-7.85257788e-05 -7.81428092e-05 -4.67113260e-05]] Final stress: [ 1.00547967e-05 1.01118368e-05 4.28463115e-06 -3.15246295e-16 -1.62630278e-05 -3.59997016e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.54724417e-05 -4.00873779e-13 1.60208054e-05] [ 7.54724430e-05 -2.75876544e-13 -1.60208045e-05] [ 7.84844412e-13 -7.45839711e-05 7.19008186e-13] [ 1.48979440e-12 7.45839711e-05 -6.44317932e-13] [ 1.68567656e-05 -4.91384711e-13 8.62754956e-04] [-1.68567650e-05 9.41455247e-13 -8.62754959e-04] [-7.54724418e-05 -7.67525103e-13 1.60208052e-05] [ 7.54724413e-05 -4.76715388e-13 -1.60208040e-05] [-3.47494439e-13 -7.45839724e-05 -1.20094395e-12] [-4.10005770e-13 7.45839725e-05 6.22808371e-13] [ 1.68567642e-05 5.33279408e-13 8.62754959e-04] [-1.68567656e-05 -6.11531333e-13 -8.62754956e-04] [-4.14250760e-04 -4.82369588e-04 -5.46159917e-04] [ 2.98825332e-04 2.28276797e-04 -4.28530440e-04] [ 4.14250761e-04 -4.82369589e-04 5.46159918e-04] [-2.98825331e-04 2.28276795e-04 4.28530440e-04] [-2.98825331e-04 -2.28276796e-04 4.28530439e-04] [ 4.14250762e-04 4.82369589e-04 5.46159920e-04] [-4.14250759e-04 4.82369589e-04 -5.46159916e-04] [ 2.98825331e-04 -2.28276794e-04 -4.28530440e-04] [-4.14250763e-04 -4.82369590e-04 -5.46159918e-04] [ 2.98825332e-04 2.28276796e-04 -4.28530440e-04] [ 4.14250758e-04 -4.82369586e-04 5.46159917e-04] [-2.98825332e-04 2.28276795e-04 4.28530439e-04] [-2.98825333e-04 -2.28276795e-04 4.28530440e-04] [ 4.14250759e-04 4.82369588e-04 5.46159918e-04] [-4.14250762e-04 4.82369589e-04 -5.46159919e-04] [ 2.98825331e-04 -2.28276796e-04 -4.28530439e-04] [ 1.01113562e-12 -6.82717771e-14 3.09038212e-12] [-1.17093895e-12 -4.49095416e-13 -8.21909621e-13] [-4.31118702e-06 1.96748463e-04 1.99039858e-04] [-4.31118831e-06 -1.96748469e-04 1.99039852e-04] [ 4.31119639e-06 1.96748469e-04 -1.99039853e-04] [ 4.31119571e-06 -1.96748471e-04 -1.99039851e-04] [ 7.57170578e-04 1.21752608e-12 7.60559765e-04] [-3.65497105e-04 -1.66189285e-12 3.65126654e-04] [ 3.65497112e-04 2.16315854e-12 -3.65126644e-04] [-7.57170557e-04 -6.69908573e-13 -7.60559788e-04] [-5.19719818e-05 -5.23791070e-05 -5.38210235e-06] [ 5.19719818e-05 -5.23791072e-05 5.38209576e-06] [-5.19719753e-05 5.23791135e-05 -5.38209969e-06] [ 5.19719774e-05 5.23791110e-05 5.38209779e-06] [-4.31119589e-06 1.96748497e-04 1.99039824e-04] [-4.31119500e-06 -1.96748500e-04 1.99039821e-04] [ 4.31118738e-06 1.96748503e-04 -1.99039820e-04] [ 4.31118885e-06 -1.96748510e-04 -1.99039812e-04] [ 7.57170533e-04 -5.31721751e-13 7.60559810e-04] [-3.65497143e-04 1.40223695e-12 3.65126614e-04] [ 3.65497141e-04 -1.98288031e-12 -3.65126619e-04] [-7.57170533e-04 3.87289808e-13 -7.60559811e-04] [-5.19719545e-05 -5.23791334e-05 -5.38209764e-06] [ 5.19719414e-05 -5.23791494e-05 5.38210157e-06] [-5.19719510e-05 5.23791365e-05 -5.38210001e-06] [ 5.19719357e-05 5.23791542e-05 5.38209834e-06]] Final stress: [-1.90004526e-05 -1.89469791e-05 -1.28701172e-05 5.12524874e-16 1.64533804e-05 1.03322499e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-8.01233015e-05 -3.64042130e-13 -1.99143434e-05] [ 8.01233057e-05 -4.11587431e-13 1.99143417e-05] [-4.82128226e-13 -7.92304620e-05 -6.05487882e-13] [-3.01300651e-13 7.92304605e-05 8.97754093e-14] [-2.07599805e-05 8.56439919e-13 8.64139163e-04] [ 2.07599804e-05 8.68818906e-13 -8.64139158e-04] [-8.01233047e-05 -1.14233288e-12 -1.99143421e-05] [ 8.01233024e-05 -3.44121765e-13 1.99143439e-05] [-7.03944013e-13 -7.92304617e-05 1.42187874e-12] [ 3.02949235e-13 7.92304620e-05 3.93139636e-13] [-2.07599788e-05 7.23257848e-13 8.64139159e-04] [ 2.07599798e-05 9.79731717e-13 -8.64139163e-04] [-2.95104817e-04 -2.26293620e-04 -4.26712769e-04] [ 4.18373564e-04 4.84756188e-04 -5.52191917e-04] [ 2.95104813e-04 -2.26293615e-04 4.26712765e-04] [-4.18373561e-04 4.84756186e-04 5.52191914e-04] [-4.18373561e-04 -4.84756185e-04 5.52191914e-04] [ 2.95104812e-04 2.26293615e-04 4.26712765e-04] [-2.95104816e-04 2.26293619e-04 -4.26712770e-04] [ 4.18373563e-04 -4.84756187e-04 -5.52191915e-04] [-2.95104814e-04 -2.26293614e-04 -4.26712765e-04] [ 4.18373560e-04 4.84756185e-04 -5.52191915e-04] [ 2.95104818e-04 -2.26293620e-04 4.26712770e-04] [-4.18373562e-04 4.84756186e-04 5.52191916e-04] [-4.18373564e-04 -4.84756188e-04 5.52191917e-04] [ 2.95104817e-04 2.26293619e-04 4.26712769e-04] [-2.95104813e-04 2.26293615e-04 -4.26712764e-04] [ 4.18373561e-04 -4.84756185e-04 -5.52191916e-04] [-2.56627358e-12 1.69814163e-12 -4.69196904e-12] [ 1.16017794e-12 -3.52091677e-13 4.74029363e-12] [ 4.84501438e-06 1.95930829e-04 1.95108906e-04] [ 4.84501293e-06 -1.95930837e-04 1.95108897e-04] [-4.84500609e-06 1.95930831e-04 -1.95108907e-04] [-4.84500744e-06 -1.95930842e-04 -1.95108895e-04] [-3.64033585e-04 -1.40365497e-12 -3.66766957e-04] [ 7.54072655e-04 -1.14069865e-12 -7.54339299e-04] [-7.54072651e-04 -1.51567647e-12 7.54339303e-04] [ 3.64033585e-04 -6.89892588e-13 3.66766955e-04] [-5.40328328e-05 -5.44396514e-05 5.89007091e-06] [ 5.40328433e-05 -5.44396385e-05 -5.89006669e-06] [-5.40328250e-05 5.44396588e-05 5.89006993e-06] [ 5.40328344e-05 5.44396473e-05 -5.89006798e-06] [ 4.84500634e-06 1.95930933e-04 1.95108804e-04] [ 4.84500598e-06 -1.95930941e-04 1.95108795e-04] [-4.84501302e-06 1.95930931e-04 -1.95108805e-04] [-4.84501384e-06 -1.95930939e-04 -1.95108796e-04] [-3.64033690e-04 1.99431972e-12 -3.66766850e-04] [ 7.54072546e-04 -5.70144790e-13 -7.54339408e-04] [-7.54072558e-04 1.28972116e-12 7.54339395e-04] [ 3.64033683e-04 -4.92872292e-13 3.66766861e-04] [-5.40327393e-05 -5.44397439e-05 5.89006718e-06] [ 5.40327393e-05 -5.44397462e-05 -5.89007093e-06] [-5.40327283e-05 5.44397524e-05 5.89006894e-06] [ 5.40327253e-05 5.44397572e-05 -5.89007017e-06]] Final stress: [-1.90263149e-05 -1.89730912e-05 -1.27915985e-05 -1.06697407e-16 -1.64530931e-05 1.29944446e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.26902567e-04 3.55744222e-05 -2.39017139e-13] [-1.26902573e-04 -3.55744222e-05 -8.28087598e-14] [ 3.55744215e-05 1.26902568e-04 -6.67244038e-13] [-3.55744229e-05 -1.26902570e-04 -8.43908277e-14] [-2.48689958e-13 2.83523205e-13 -6.63952009e-04] [-4.00526834e-13 -4.55607774e-14 6.63952008e-04] [ 1.26902572e-04 3.55744229e-05 -7.37691787e-16] [-1.26902567e-04 -3.55744223e-05 5.40276388e-13] [ 3.55744229e-05 1.26902572e-04 9.61692494e-14] [-3.55744226e-05 -1.26902568e-04 1.61487069e-13] [ 7.51770169e-13 -3.48084997e-13 -6.63952008e-04] [ 8.96165141e-13 -3.47748008e-13 6.63952009e-04] [ 2.09659964e-04 2.09659965e-04 2.72725855e-04] [-2.09659964e-04 -2.09659964e-04 2.72725853e-04] [-6.73945292e-05 6.73945279e-05 -3.49340264e-04] [ 6.73945261e-05 -6.73945291e-05 -3.49340265e-04] [ 2.09659965e-04 2.09659966e-04 -2.72725856e-04] [-2.09659963e-04 -2.09659963e-04 -2.72725852e-04] [ 6.73945267e-05 -6.73945285e-05 3.49340265e-04] [-6.73945292e-05 6.73945278e-05 3.49340264e-04] [ 2.09659963e-04 2.09659963e-04 2.72725852e-04] [-2.09659965e-04 -2.09659966e-04 2.72725856e-04] [-6.73945268e-05 6.73945286e-05 -3.49340265e-04] [ 6.73945289e-05 -6.73945276e-05 -3.49340264e-04] [ 2.09659964e-04 2.09659964e-04 -2.72725852e-04] [-2.09659964e-04 -2.09659966e-04 -2.72725854e-04] [ 6.73945290e-05 -6.73945274e-05 3.49340265e-04] [-6.73945272e-05 6.73945285e-05 3.49340265e-04] [ 2.18423196e-12 1.04598274e-12 -6.43859965e-14] [-1.83374379e-12 -2.47992293e-12 -1.66196950e-13] [-8.89290873e-06 -1.18429680e-04 -1.29100322e-04] [ 8.89289260e-06 1.18429672e-04 -1.29100333e-04] [-8.89290928e-06 -1.18429682e-04 1.29100321e-04] [ 8.89289245e-06 1.18429675e-04 1.29100329e-04] [-1.18429783e-04 -8.89290680e-06 -1.29100219e-04] [-1.18429785e-04 -8.89290586e-06 1.29100216e-04] [ 1.18429762e-04 8.89289797e-06 -1.29100244e-04] [ 1.18429766e-04 8.89289802e-06 1.29100240e-04] [ 6.02627211e-04 6.02627129e-04 -1.94816385e-12] [ 4.54728552e-04 -4.54728657e-04 -1.03300701e-12] [-4.54728570e-04 4.54728638e-04 -1.93650651e-12] [-6.02627214e-04 -6.02627121e-04 -1.14847021e-12] [-8.89289283e-06 -1.18429770e-04 -1.29100234e-04] [ 8.89290902e-06 1.18429776e-04 -1.29100228e-04] [-8.89289240e-06 -1.18429766e-04 1.29100238e-04] [ 8.89291054e-06 1.18429772e-04 1.29100231e-04] [-1.18429676e-04 -8.89289814e-06 -1.29100329e-04] [-1.18429674e-04 -8.89289687e-06 1.29100330e-04] [ 1.18429688e-04 8.89290483e-06 -1.29100314e-04] [ 1.18429683e-04 8.89290528e-06 1.29100318e-04] [ 6.02627125e-04 6.02627210e-04 1.64632378e-12] [ 4.54728670e-04 -4.54728538e-04 1.30947990e-12] [-4.54728640e-04 4.54728569e-04 1.35718047e-12] [-6.02627116e-04 -6.02627226e-04 1.01410285e-12]] Final stress: [1.07536100e-05 1.07536100e-05 3.16062971e-06 2.50897484e-16 2.93028139e-16 1.61336556e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.27522206e-04 1.73721186e-05 -1.82548421e-13] [-1.27522202e-04 -1.73721181e-05 -8.66515193e-13] [ 1.73721181e-05 1.27522203e-04 1.43371426e-13] [-1.73721174e-05 -1.27522206e-04 5.32934807e-13] [ 1.50990331e-14 4.81850670e-13 -6.19729490e-04] [ 8.54316617e-14 2.10415019e-13 6.19729491e-04] [ 1.27522203e-04 1.73721181e-05 1.70321922e-13] [-1.27522206e-04 -1.73721179e-05 2.18996669e-13] [ 1.73721180e-05 1.27522206e-04 2.99867259e-13] [-1.73721183e-05 -1.27522203e-04 -1.50784658e-13] [-5.72332861e-14 -3.87248500e-13 -6.19729492e-04] [-2.16666495e-13 -3.01099816e-13 6.19729490e-04] [ 6.04297743e-05 6.04297728e-05 2.96775724e-04] [-6.04297718e-05 -6.04297717e-05 2.96775722e-04] [-2.00726804e-04 2.00726804e-04 -1.98536422e-04] [ 2.00726802e-04 -2.00726802e-04 -1.98536420e-04] [ 6.04297738e-05 6.04297733e-05 -2.96775724e-04] [-6.04297740e-05 -6.04297735e-05 -2.96775725e-04] [ 2.00726802e-04 -2.00726801e-04 1.98536419e-04] [-2.00726803e-04 2.00726803e-04 1.98536421e-04] [ 6.04297729e-05 6.04297749e-05 2.96775724e-04] [-6.04297743e-05 -6.04297731e-05 2.96775724e-04] [-2.00726802e-04 2.00726800e-04 -1.98536419e-04] [ 2.00726803e-04 -2.00726803e-04 -1.98536421e-04] [ 6.04297709e-05 6.04297718e-05 -2.96775722e-04] [-6.04297741e-05 -6.04297732e-05 -2.96775725e-04] [ 2.00726804e-04 -2.00726804e-04 1.98536422e-04] [-2.00726803e-04 2.00726802e-04 1.98536419e-04] [-1.51063190e-12 3.22165905e-12 -1.84206816e-12] [ 1.18548496e-12 -1.57822394e-12 1.50903852e-12] [ 1.92874300e-06 -1.21364483e-04 -1.34975680e-04] [-1.92873521e-06 1.21364480e-04 -1.34975683e-04] [ 1.92874260e-06 -1.21364484e-04 1.34975677e-04] [-1.92873565e-06 1.21364480e-04 1.34975683e-04] [-1.21364428e-04 1.92873597e-06 -1.34975735e-04] [-1.21364426e-04 1.92873647e-06 1.34975737e-04] [ 1.21364435e-04 -1.92874042e-06 -1.34975727e-04] [ 1.21364433e-04 -1.92873987e-06 1.34975729e-04] [-5.41569530e-04 -5.41569492e-04 1.15690790e-12] [-6.01458740e-04 6.01458790e-04 1.37417855e-12] [ 6.01458744e-04 -6.01458783e-04 6.51201315e-13] [ 5.41569538e-04 5.41569484e-04 3.59601238e-13] [ 1.92873484e-06 -1.21364431e-04 -1.34975732e-04] [-1.92874190e-06 1.21364431e-04 -1.34975730e-04] [ 1.92873456e-06 -1.21364433e-04 1.34975730e-04] [-1.92874202e-06 1.21364435e-04 1.34975727e-04] [-1.21364483e-04 1.92874140e-06 -1.34975679e-04] [-1.21364483e-04 1.92874003e-06 1.34975679e-04] [ 1.21364477e-04 -1.92873723e-06 -1.34975686e-04] [ 1.21364477e-04 -1.92873807e-06 1.34975687e-04] [-5.41569491e-04 -5.41569532e-04 -5.99275793e-13] [-6.01458790e-04 6.01458735e-04 -5.36503201e-13] [ 6.01458789e-04 -6.01458740e-04 -3.66077662e-14] [ 5.41569478e-04 5.41569545e-04 -1.93620002e-13]] Final stress: [ 1.05038281e-05 1.05038281e-05 3.67591827e-06 -5.29882071e-16 -8.71957838e-16 -1.62543516e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-8.31456539e-05 2.30447641e-05 -1.39818712e-13] [ 8.31456507e-05 -2.30447640e-05 1.00350284e-12] [ 2.30447636e-05 -8.31456514e-05 7.59295404e-13] [-2.30447637e-05 8.31456533e-05 7.81333331e-13] [-1.61703984e-13 -1.95982119e-13 8.74127308e-04] [-7.72729103e-13 -6.71684930e-14 -8.74127307e-04] [-8.31456497e-05 2.30447634e-05 -2.23087456e-13] [ 8.31456539e-05 -2.30447634e-05 -1.24868575e-12] [ 2.30447646e-05 -8.31456557e-05 -3.27264894e-13] [-2.30447628e-05 8.31456514e-05 -2.74806091e-13] [-3.35946448e-13 -5.89359907e-13 8.74127304e-04] [ 8.79664329e-13 -9.12770998e-13 -8.74127308e-04] [-4.25306259e-04 -4.25306257e-04 -6.23610516e-04] [ 4.25306258e-04 4.25306258e-04 -6.23610517e-04] [ 2.97799688e-04 -2.97799688e-04 3.65001430e-04] [-2.97799688e-04 2.97799687e-04 3.65001430e-04] [-4.25306260e-04 -4.25306259e-04 6.23610521e-04] [ 4.25306258e-04 4.25306259e-04 6.23610519e-04] [-2.97799690e-04 2.97799688e-04 -3.65001429e-04] [ 2.97799689e-04 -2.97799690e-04 -3.65001432e-04] [-4.25306258e-04 -4.25306258e-04 -6.23610518e-04] [ 4.25306261e-04 4.25306259e-04 -6.23610518e-04] [ 2.97799688e-04 -2.97799689e-04 3.65001430e-04] [-2.97799690e-04 2.97799690e-04 3.65001431e-04] [-4.25306258e-04 -4.25306257e-04 6.23610516e-04] [ 4.25306258e-04 4.25306257e-04 6.23610516e-04] [-2.97799687e-04 2.97799688e-04 -3.65001431e-04] [ 2.97799688e-04 -2.97799688e-04 -3.65001428e-04] [ 1.18764026e-12 -1.60157998e-12 2.61846100e-13] [-7.26760699e-13 1.56052250e-12 3.89032497e-13] [-6.07837633e-06 1.95668371e-04 1.96621048e-04] [ 6.07836196e-06 -1.95668362e-04 1.96621058e-04] [-6.07837351e-06 1.95668376e-04 -1.96621043e-04] [ 6.07836221e-06 -1.95668367e-04 -1.96621054e-04] [ 1.95668295e-04 -6.07836520e-06 1.96621123e-04] [ 1.95668310e-04 -6.07836418e-06 -1.96621111e-04] [-1.95668302e-04 6.07837299e-06 1.96621115e-04] [-1.95668317e-04 6.07837188e-06 -1.96621102e-04] [ 5.04688345e-04 5.04688315e-04 4.65644190e-12] [ 6.20005139e-04 -6.20005203e-04 3.50569573e-12] [-6.20005152e-04 6.20005187e-04 6.61898314e-12] [-5.04688363e-04 -5.04688295e-04 2.99621439e-12] [-6.07836144e-06 1.95668318e-04 1.96621104e-04] [ 6.07837482e-06 -1.95668318e-04 1.96621101e-04] [-6.07836429e-06 1.95668303e-04 -1.96621119e-04] [ 6.07837416e-06 -1.95668305e-04 -1.96621114e-04] [ 1.95668374e-04 -6.07837096e-06 1.96621044e-04] [ 1.95668371e-04 -6.07837160e-06 -1.96621047e-04] [-1.95668361e-04 6.07836541e-06 1.96621061e-04] [-1.95668354e-04 6.07836700e-06 -1.96621068e-04] [ 5.04688305e-04 5.04688353e-04 -3.67841445e-12] [ 6.20005201e-04 -6.20005137e-04 -4.76247131e-12] [-6.20005207e-04 6.20005137e-04 -4.99085323e-12] [-5.04688286e-04 -5.04688373e-04 -3.45569878e-12]] Final stress: [-1.90270650e-05 -1.90270651e-05 -1.26991155e-05 -4.25112656e-16 -1.87820976e-16 1.64564932e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-7.69605051e-05 -2.23120078e-05 8.60839178e-13] [ 7.69605012e-05 2.23120065e-05 -7.11930515e-15] [-2.23120074e-05 -7.69604977e-05 2.54685162e-13] [ 2.23120060e-05 7.69605069e-05 7.35522754e-14] [ 1.15810139e-13 -5.15407161e-13 8.74004948e-04] [ 2.20032326e-13 -5.87738191e-13 -8.74004946e-04] [-7.69604998e-05 -2.23120063e-05 2.98800702e-13] [ 7.69605053e-05 2.23120071e-05 -6.78511636e-13] [-2.23120063e-05 -7.69605072e-05 -5.28433845e-14] [ 2.23120069e-05 7.69604972e-05 -2.45497843e-13] [ 2.76788552e-13 2.41936649e-13 8.74004945e-04] [-3.10648500e-13 1.60735737e-13 -8.74004949e-04] [-3.00571494e-04 -3.00571492e-04 -3.66514882e-04] [ 3.00571489e-04 3.00571491e-04 -3.66514880e-04] [ 4.24715926e-04 -4.24715926e-04 6.23934826e-04] [-4.24715922e-04 4.24715923e-04 6.23934819e-04] [-3.00571493e-04 -3.00571491e-04 3.66514883e-04] [ 3.00571487e-04 3.00571490e-04 3.66514880e-04] [-4.24715922e-04 4.24715922e-04 -6.23934819e-04] [ 4.24715928e-04 -4.24715929e-04 -6.23934828e-04] [-3.00571488e-04 -3.00571490e-04 -3.66514879e-04] [ 3.00571493e-04 3.00571492e-04 -3.66514884e-04] [ 4.24715922e-04 -4.24715922e-04 6.23934819e-04] [-4.24715928e-04 4.24715929e-04 6.23934827e-04] [-3.00571489e-04 -3.00571491e-04 3.66514879e-04] [ 3.00571494e-04 3.00571492e-04 3.66514882e-04] [-4.24715926e-04 4.24715926e-04 -6.23934825e-04] [ 4.24715922e-04 -4.24715921e-04 -6.23934821e-04] [ 1.30342959e-12 -7.28597044e-12 -3.93775290e-13] [-2.68245943e-12 7.85784049e-12 1.82051276e-12] [ 8.09411455e-06 1.96708450e-04 1.97050615e-04] [-8.09412679e-06 -1.96708433e-04 1.97050637e-04] [ 8.09411330e-06 1.96708462e-04 -1.97050605e-04] [-8.09412682e-06 -1.96708445e-04 -1.97050628e-04] [ 1.96708364e-04 8.09412908e-06 1.97050704e-04] [ 1.96708378e-04 8.09412890e-06 -1.97050693e-04] [-1.96708375e-04 -8.09411268e-06 1.97050691e-04] [-1.96708389e-04 -8.09411204e-06 -1.97050679e-04] [-6.22723386e-04 -6.22723431e-04 5.77438097e-12] [-5.03218601e-04 5.03218526e-04 6.42680353e-12] [ 5.03218605e-04 -5.03218531e-04 5.47689671e-12] [ 6.22723357e-04 6.22723459e-04 6.53377352e-12] [ 8.09412703e-06 1.96708378e-04 1.97050695e-04] [-8.09411350e-06 -1.96708389e-04 1.97050679e-04] [ 8.09412750e-06 1.96708364e-04 -1.97050706e-04] [-8.09411346e-06 -1.96708374e-04 -1.97050691e-04] [ 1.96708462e-04 8.09411154e-06 1.97050607e-04] [ 1.96708449e-04 8.09411156e-06 -1.97050617e-04] [-1.96708448e-04 -8.09412938e-06 1.97050624e-04] [-1.96708437e-04 -8.09413003e-06 -1.97050632e-04] [-6.22723427e-04 -6.22723389e-04 -5.87091351e-12] [-5.03218537e-04 5.03218599e-04 -5.29830295e-12] [ 5.03218526e-04 -5.03218603e-04 -4.86055315e-12] [ 6.22723460e-04 6.22723359e-04 -5.89091922e-12]] Final stress: [-1.89955890e-05 -1.89955890e-05 -1.27967256e-05 1.37092543e-16 -1.60486316e-15 -1.64517729e-05] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. 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Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.31048 0.34347 0.34488 0. -0.00001 -0.00001] [ 0.34347 0.31029 0.34544 0. 0. 0. ] [ 0.34488 0.34544 0.31 0. 0. 0. ] [ 0. 0. 0. 0.21147 0. -0. ] [-0.00001 0. 0. 0. 0.21146 -0. ] [-0.00001 0. 0. -0. -0. 0.21193]] 95%% Error estimate [ASE units]: [[0.0019 0.00127 0.00284 0.00002 0. 0.00004] [0.00127 0.00163 0.00275 0.00001 0.00002 0.00001] [0.00284 0.00275 0.00137 0.00002 0.00001 0.00008] [0.00002 0.00001 0.00002 0.00031 0. 0. ] [0. 0.00002 0.00001 0. 0.00031 0. ] [0.00004 0.00001 0.00008 0. 0. 0.00014]] Maximum deviation from material symmetry [ASE units]: 0.001977 R E S U L T S Elastic constants [GPa]: [[49.74439 55.02941 55.25526 0.00041 -0.00088 -0.00086] [55.02941 49.71361 55.34609 0.00039 0.00057 0.00016] [55.25526 55.34609 49.66767 0. 0.00016 0.00022] [ 0.00041 0.00039 0. 33.88047 0.00027 -0. ] [-0.00088 0.00057 0.00016 0.00027 33.88034 -0.00002] [-0.00086 0.00016 0.00022 -0. -0.00002 33.9557 ]] 95 %% Error estimate [GPa]: [[0.304 0.20373 0.45557 0.00277 0.00073 0.0065 ] [0.20373 0.26156 0.44074 0.00145 0.00248 0.00129] [0.45557 0.44074 0.21988 0.00387 0.00146 0.01217] [0.00277 0.00145 0.00387 0.04991 0.00035 0.0003 ] [0.00073 0.00248 0.00146 0.00035 0.0494 0.00007] [0.0065 0.00129 0.01217 0.0003 0.00007 0.02284]] Maximum deviation from material symmetry [GPa] = 0.31668 Bulk modulus [GPa] = 53.37697 Unique elastic constants for space group 229 [GPa] ['c11', 'c12', 'c44'] [49.744390389994315, 55.02941038045558, 33.88046881517249] WARNING: Nearest isotropic state not computed.