Model name? Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 Stoichiometric species (literal list of strings)? ['O', 'Si'] Prototype label? A2B_cP24_198_ab_2a 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': 6.812000000000001e-10, 'parameter-names.source-value': ['x1', 'x2', 'x3', 'x4', 'y4', 'z4'], 'parameter-values.source-value': [0.16677043, 0.30341125, 0.031326672, 0.63280555, 0.67823929, 0.0076597022], 'meta.uuid': 'TE_681860204966_002-and-SM_887826436433_000-1711749166-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'Si', 'Si'] representative atom coordinates = [[0.16677043 0.16677043 0.16677043] [0.63280555 0.67823929 0.0076597 ] [0.30341125 0.30341125 0.30341125] [0.03132667 0.03132667 0.03132667]] spacegroup = 198 cell = [[6.812, 0, 0], [0, 6.812, 0], [0, 0, 6.812]] ========================================= 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 7 steps. Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.60799715e-03 -5.18297538e-03 1.48927809e-03] [-3.60800555e-03 5.18296742e-03 1.48928615e-03] [-3.60798833e-03 -5.18298429e-03 -1.48926900e-03] [ 3.60800572e-03 5.18296734e-03 -1.48928656e-03] [-4.19022384e-03 -1.58706472e-02 6.96391542e-03] [ 4.19022235e-03 1.58706447e-02 6.96391832e-03] [ 4.19022338e-03 -1.58706468e-02 -6.96391592e-03] [-4.19022164e-03 1.58706435e-02 -6.96391923e-03] [-1.66230458e-03 4.10592719e-05 -9.65737027e-04] [-1.66230723e-03 -4.10574508e-05 9.65740136e-04] [ 1.66230455e-03 -4.10592126e-05 -9.65736989e-04] [ 1.66230372e-03 4.10602203e-05 9.65735370e-04] [-8.64893837e-03 6.11144435e-03 5.09972172e-04] [ 8.64893739e-03 6.11144465e-03 -5.09972725e-04] [-8.64893926e-03 -6.11144316e-03 -5.09971292e-04] [ 8.64893963e-03 -6.11144246e-03 5.09970975e-04] [-6.83830858e-03 -4.76728170e-03 -2.00338353e-03] [ 6.83831300e-03 4.76728533e-03 -2.00338286e-03] [ 6.83830713e-03 -4.76727893e-03 2.00337861e-03] [-6.83831240e-03 4.76728437e-03 2.00338500e-03] [ 5.99079879e-04 8.86561457e-03 2.99200725e-03] [-5.99076225e-04 -8.86561007e-03 2.99199845e-03] [-5.99085391e-04 8.86561973e-03 -2.99201116e-03] [ 5.99077505e-04 -8.86560881e-03 -2.99199964e-03]] Final stress: [ 1.78606058e-03 -2.83157499e-04 -4.05998354e-04 9.11645696e-13 5.89343365e-12 -1.58114529e-12] Minimization converged after 48 steps. Minimization converged after 50 steps. Minimization converged after 53 steps. Minimization converged after 57 steps. Minimization converged after 51 steps. Minimization converged after 54 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-0.02355602 -0.02785452 0.02265464] [ 0.0235879 0.02788733 0.02262199] [ 0.02359475 -0.02789624 -0.0226147 ] [-0.02361448 0.02791608 -0.02259503] [-0.00095817 -0.05037679 0.02191057] [ 0.00095998 0.05038069 0.02190574] [ 0.0009531 -0.05036848 -0.02191703] [-0.00095628 0.05037489 -0.02191042] [-0.00881914 -0.05319087 -0.09740288] [-0.00882305 0.05319171 0.09740418] [ 0.0088152 0.0531876 -0.09739839] [ 0.00882512 -0.05319359 0.09740712] [-0.07921502 -0.02750354 -0.02670834] [ 0.07921216 -0.02750205 0.02670635] [-0.07920561 0.02749604 0.02670174] [ 0.0792113 0.02750062 -0.02670541] [-0.01888597 -0.00015649 -0.04515889] [ 0.01887288 0.000147 -0.04515008] [ 0.01887654 -0.00014013 0.04514525] [-0.01886775 0.00013332 0.04514148] [-0.00105933 0.00678028 -0.01930094] [ 0.00104441 -0.00680184 -0.01927812] [ 0.00102986 0.00680115 0.01927922] [-0.00102238 -0.00681216 0.01926194]] Final stress: [ 1.42824263e-03 -2.90317627e-03 7.30435285e-03 -3.25059048e-09 -2.01644202e-09 -2.49946291e-08] Minimization converged after 84 steps. Minimization converged after 104 steps. Minimization converged after 75 steps. Minimization converged after 76 steps. Minimization converged after 97 steps. Minimization converged after 97 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 106 steps. Minimization converged after 102 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.44381591e-03 3.52055492e-03 -5.22859707e-03] [-1.44380230e-03 -3.52054167e-03 -5.22861048e-03] [-1.44381989e-03 3.52055901e-03 5.22859352e-03] [ 1.44382043e-03 -3.52055987e-03 5.22859251e-03] [ 4.69150151e-04 -8.65359576e-03 6.04936480e-03] [-4.69150668e-04 8.65359489e-03 6.04936487e-03] [-4.69149084e-04 -8.65359726e-03 -6.04936328e-03] [ 4.69148865e-04 8.65359728e-03 -6.04936269e-03] [ 6.95452410e-03 -4.16695648e-03 -1.58071749e-02] [ 6.95452607e-03 4.16695556e-03 1.58071734e-02] [-6.95452538e-03 4.16695539e-03 -1.58071734e-02] [-6.95452804e-03 -4.16695405e-03 1.58071708e-02] [-9.79735064e-04 -1.71914065e-03 -9.61371979e-06] [ 9.79737317e-04 -1.71914292e-03 9.61509662e-06] [-9.79733565e-04 1.71913954e-03 9.61296115e-06] [ 9.79732687e-04 1.71913950e-03 -9.61239205e-06] [-2.02101245e-03 -6.80185134e-03 -4.78319944e-03] [ 2.02100587e-03 6.80184898e-03 -4.78319428e-03] [ 2.02101312e-03 -6.80185458e-03 4.78319905e-03] [-2.02101012e-03 6.80185543e-03 4.78320160e-03] [ 3.03263508e-03 6.02142059e-04 8.90165675e-03] [-3.03264102e-03 -6.02150285e-04 8.90166383e-03] [-3.03263047e-03 6.02142612e-04 -8.90165309e-03] [ 3.03262847e-03 -6.02140294e-04 -8.90165455e-03]] Final stress: [-4.05302914e-04 1.77985760e-03 -2.84028740e-04 -8.05168963e-13 1.14662748e-12 3.80036172e-12] Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 53 steps. Minimization converged after 56 steps. Minimization converged after 107 steps. Minimization converged after 104 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 109 steps. Minimization converged after 101 steps. Minimization converged after 75 steps. Minimization converged after 76 steps. Minimization converged after 95 steps. Minimization converged after 98 steps. Minimization converged after 74 steps. Minimization converged after 75 steps. Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-5.22717705e-03 1.44474866e-03 3.52346778e-03] [ 5.22717407e-03 -1.44475209e-03 3.52347133e-03] [ 5.22717114e-03 1.44475464e-03 -3.52347410e-03] [-5.22718959e-03 -1.44473606e-03 -3.52345545e-03] [-8.63463766e-06 -9.82781443e-04 -1.71956275e-03] [ 8.63600654e-06 9.82783682e-04 -1.71956507e-03] [ 8.63462517e-06 -9.82781355e-04 1.71956264e-03] [-8.63410443e-06 9.82780582e-04 1.71956273e-03] [ 6.04704174e-03 4.68409522e-04 -8.65851609e-03] [ 6.04704159e-03 -4.68409792e-04 8.65851574e-03] [-6.04704038e-03 -4.68408572e-04 -8.65851739e-03] [-6.04703938e-03 4.68407964e-04 8.65851816e-03] [-1.58071662e-02 6.95576063e-03 -4.16635259e-03] [ 1.58071641e-02 6.95576298e-03 4.16635138e-03] [-1.58071638e-02 -6.95576251e-03 4.16635105e-03] [ 1.58071619e-02 -6.95576472e-03 -4.16635005e-03] [-4.78697947e-03 -2.01855412e-03 -6.80209387e-03] [ 4.78697883e-03 2.01855470e-03 -6.80209697e-03] [ 4.78698191e-03 -2.01855362e-03 6.80209760e-03] [-4.78697429e-03 2.01854929e-03 6.80209104e-03] [ 8.90180116e-03 3.03044438e-03 5.98048130e-04] [-8.90179769e-03 -3.03044007e-03 5.98049081e-04] [-8.90179820e-03 3.03043776e-03 -5.98045930e-04] [ 8.90180762e-03 -3.03045043e-03 -5.98056404e-04]] Final stress: [-2.84057812e-04 -4.05273365e-04 1.78001154e-03 3.85783722e-12 -7.27598025e-13 -8.83123681e-13] Minimization converged after 96 steps. Minimization converged after 99 steps. Minimization converged after 74 steps. Minimization converged after 74 steps. Minimization converged after 105 steps. Minimization converged after 104 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 103 steps. Minimization converged after 106 steps. Minimization converged after 76 steps. Minimization converged after 76 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.02189425 0.00647585 0.01780429] [-0.02189427 -0.00647586 0.0178043 ] [-0.02189424 0.00647584 -0.01780428] [ 0.02189426 -0.00647586 -0.01780429] [ 0.00351227 0.01012052 0.03066211] [-0.00351228 -0.01012052 0.03066212] [-0.00351228 0.01012053 -0.03066212] [ 0.00351228 -0.01012053 -0.03066212] [-0.00658812 -0.01061001 -0.02006102] [-0.00658812 0.01061001 0.02006102] [ 0.00658812 0.01061001 -0.02006102] [ 0.00658812 -0.01061001 0.02006102] [-0.05365949 -0.01213607 -0.02211375] [ 0.05365949 -0.01213607 0.02211375] [-0.05365949 0.01213608 0.02211375] [ 0.05365949 0.01213607 -0.02211375] [-0.02797028 -0.05511435 0.00523747] [ 0.02797028 0.05511436 0.00523746] [ 0.02797028 -0.05511435 -0.00523747] [-0.02797028 0.05511435 -0.00523747] [-0.03272418 0.03655808 0.01394155] [ 0.03272419 -0.03655807 0.01394154] [ 0.03272418 0.03655808 -0.01394156] [-0.03272418 -0.03655807 -0.01394155]] Final stress: [ 3.61986846e-03 -7.10821904e-04 -9.07859492e-05 -1.67318402e-12 2.39361010e-12 1.30848361e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00056684 0.00369214 0.00507113] [ 0.00056683 -0.00369215 0.00507114] [ 0.00056684 0.00369214 -0.00507113] [-0.00056683 -0.00369215 -0.00507114] [ 0.00290825 0.00721463 0.00535468] [-0.00290825 -0.00721463 0.00535468] [-0.00290825 0.00721463 -0.00535468] [ 0.00290825 -0.00721463 -0.00535468] [ 0.00889237 0.00403753 0.00118768] [ 0.00889237 -0.00403753 -0.00118768] [-0.00889237 -0.00403753 0.00118768] [-0.00889237 0.00403753 -0.00118768] [-0.0069007 0.0056868 -0.00262401] [ 0.0069007 0.0056868 0.00262401] [-0.0069007 -0.0056868 0.00262402] [ 0.0069007 -0.0056868 -0.00262402] [ 0.00330778 0.00069714 -0.00278617] [-0.00330777 -0.00069714 -0.00278617] [-0.00330778 0.00069714 0.00278617] [ 0.00330777 -0.00069714 0.00278617] [ 0.00199144 -0.00089686 -0.0016131 ] [-0.00199144 0.00089687 -0.0016131 ] [-0.00199144 -0.00089686 0.0016131 ] [ 0.00199144 0.00089687 0.00161311]] Final stress: [-1.83543968e-04 -3.25225157e-04 1.42104719e-03 1.68823276e-12 -5.24228142e-12 2.90582254e-12] Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00372175 0.00507748 -0.00055515] [-0.00372176 -0.00507749 -0.00055515] [-0.00372175 0.00507748 0.00055516] [ 0.00372175 -0.00507748 0.00055515] [ 0.00407121 0.00116076 0.00889564] [-0.00407121 -0.00116076 0.00889564] [-0.00407121 0.00116076 -0.00889564] [ 0.00407121 -0.00116076 -0.00889564] [ 0.00572554 -0.00259619 -0.00692682] [ 0.00572554 0.00259619 0.00692682] [-0.00572554 0.00259619 -0.00692682] [-0.00572554 -0.00259619 0.00692682] [ 0.0071794 0.00536897 0.00290819] [-0.0071794 0.00536897 -0.00290819] [ 0.0071794 -0.00536897 -0.00290819] [-0.0071794 -0.00536897 0.00290819] [ 0.00074363 -0.00275941 0.0033116 ] [-0.00074362 0.00275941 0.0033116 ] [-0.00074363 -0.00275941 -0.00331161] [ 0.00074362 0.00275941 -0.0033116 ] [-0.00093096 -0.00162677 0.00197087] [ 0.00093096 0.00162677 0.00197087] [ 0.00093096 -0.00162677 -0.00197088] [-0.00093096 0.00162677 -0.00197087]] Final stress: [-3.24253071e-04 1.42265823e-03 -1.82796404e-04 -1.07202365e-13 1.11747710e-12 2.08061106e-12] Minimization converged after 51 steps. Minimization converged after 54 steps. Minimization converged after 55 steps. Minimization converged after 108 steps. Minimization converged after 105 steps. Minimization converged after 79 steps. Minimization converged after 78 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 48 steps. Final forces: [[-0.01135994 -0.00587172 -0.03133881] [-0.10929 -0.09485916 0.1393249 ] [-0.03893116 0.04234336 -0.02272828] [-0.11199475 0.12508401 0.07811475] [-0.03749425 -0.01848674 0.00496123] [ 0.03985859 0.01087118 -0.02324549] [ 0.03184105 -0.00807837 -0.01530111] [-0.01765064 -0.0194102 -0.00297661] [ 0.03848029 0.04349238 0.06147387] [ 0.04606033 -0.02793372 -0.0700791 ] [-0.02900524 -0.00857111 0.04025002] [ 0.00672655 0.01247234 -0.01190528] [ 0.0259638 0.03200165 0.02325233] [-0.04845061 0.05977028 -0.0361349 ] [ 0.01020096 -0.05485586 -0.02053264] [-0.01925236 -0.0723743 0.02442184] [-0.00017313 -0.00099911 0.01090784] [ 0.01517674 0.03191548 -0.05507244] [ 0.01651673 0.01229944 0.03780541] [ 0.03701761 -0.04441739 -0.038108 ] [ 0.05930701 0.03160825 -0.02373388] [ 0.04986512 0.06178721 -0.0701323 ] [-0.045459 -0.0357599 0.03024541] [ 0.0920463 -0.072028 -0.02946877]] Final stress: [-1.57861918e-03 4.72951770e-03 -9.70667791e-04 4.58627624e-06 7.31949427e-05 -8.03893177e-06] Minimization converged after 100 steps. Minimization converged after 77 steps. Minimization converged after 77 steps. Minimization converged after 94 steps. Minimization converged after 101 steps. Minimization converged after 75 steps. Minimization converged after 77 steps. Minimization converged after 55 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.01777248 0.02191058 0.00643324] [-0.01777245 -0.02191056 0.00643321] [-0.01777249 0.0219106 -0.00643325] [ 0.01777249 -0.0219106 -0.00643325] [-0.02212407 -0.05375185 -0.01202468] [ 0.02212407 0.05375185 -0.01202468] [ 0.02212407 -0.05375185 0.01202468] [-0.02212407 0.05375186 0.01202469] [ 0.03076511 0.00353645 0.01008996] [ 0.03076511 -0.00353645 -0.01008997] [-0.03076511 -0.00353645 0.01008997] [-0.03076511 0.00353645 -0.01008997] [-0.02011156 -0.00654569 -0.01056198] [ 0.02011157 -0.0065457 0.01056199] [-0.02011156 0.00654569 0.01056198] [ 0.02011156 0.00654569 -0.01056198] [ 0.00526701 -0.02802392 -0.05516267] [-0.00526702 0.02802391 -0.05516266] [-0.005267 -0.02802393 0.05516268] [ 0.00526701 0.02802393 0.05516268] [ 0.01404225 -0.03269549 0.03664809] [-0.01404227 0.03269548 0.03664811] [-0.01404224 -0.0326955 -0.03664808] [ 0.01404224 0.0326955 -0.03664808]] Final stress: [-8.76698872e-05 3.63201882e-03 -7.06988687e-04 -4.14206412e-12 -1.22082982e-11 1.34311985e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00510491 -0.00054944 0.00368291] [-0.00510491 0.00054943 0.00368292] [-0.00510492 -0.00054943 -0.00368293] [ 0.00510492 0.00054943 -0.00368292] [-0.00267002 -0.00690287 0.00569167] [ 0.00267002 0.00690287 0.00569167] [ 0.00267003 -0.00690287 -0.00569166] [-0.00267003 0.00690287 -0.00569166] [ 0.00541426 0.0029149 0.00720601] [ 0.00541426 -0.0029149 -0.00720601] [-0.00541426 -0.0029149 0.00720601] [-0.00541426 0.0029149 -0.00720601] [ 0.00119043 0.00890807 0.00403526] [-0.00119044 0.00890807 -0.00403527] [ 0.00119044 -0.00890807 -0.00403526] [-0.00119044 -0.00890807 0.00403527] [-0.00281868 0.00328617 0.00073603] [ 0.00281868 -0.00328617 0.00073603] [ 0.00281868 0.00328617 -0.00073602] [-0.00281868 -0.00328617 -0.00073602] [-0.00160948 0.00198932 -0.00093291] [ 0.00160948 -0.00198932 -0.00093291] [ 0.00160949 0.00198931 0.00093292] [-0.00160949 -0.00198932 0.00093292]] Final stress: [ 1.42373529e-03 -1.82838087e-04 -3.24723628e-04 3.39317175e-13 1.72725938e-12 -1.96571955e-13] Minimization converged after 53 steps. Minimization converged after 54 steps. Minimization converged after 59 steps. Minimization converged after 103 steps. Minimization converged after 106 steps. Minimization converged after 79 steps. Minimization converged after 78 steps. Minimization converged after 106 steps. Minimization converged after 107 steps. Minimization converged after 79 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[ 0.06808564 0.08317752 0.08615338] [ 0.07764942 0.06441587 -0.06115887] [-0.03719864 0.01047794 -0.00137518] [ 0.00644858 0.01736473 0.02529504] [ 0.01888351 0.02100713 0.03058793] [-0.01669074 -0.0156195 0.01963816] [-0.01748969 0.01175989 -0.04892162] [ 0.00870415 0.00331664 -0.03072407] [-0.00108181 -0.03074992 -0.01637777] [-0.01128827 0.02001887 -0.00093919] [-0.01721531 0.01558288 0.00470831] [ 0.00356953 -0.01525081 -0.00917199] [ 0.01164986 0.00113964 0.01302194] [-0.01769393 0.00918309 0.00090878] [ 0.05064357 -0.03961322 -0.01963121] [-0.03017368 -0.01130695 0.02517877] [-0.03669344 -0.0209832 -0.02775887] [-0.02487988 -0.01355674 0.02381345] [ 0.01653421 0.00596598 -0.00517769] [ 0.01407936 -0.01548823 0.00601742] [-0.05363912 -0.017123 -0.04501989] [-0.01347548 -0.0785914 0.04352817] [ 0.01533186 0.00797035 0.01474224] [-0.01405968 -0.01309756 -0.02733722]] Final stress: [-6.32121565e-04 -1.40731710e-03 3.38971118e-03 -7.22755240e-06 -6.64550683e-06 6.36060618e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[ 0.05606041 0.03575455 0.02700041] [ 0.018852 0.03946387 -0.04811704] [-0.0088222 0.02314375 -0.02288062] [-0.01919835 0.00351385 0.00318993] [ 0.01402334 0.01200667 0.04149959] [-0.01211541 -0.00802481 0.0344819 ] [-0.02146042 0.0285941 -0.03278272] [ 0.01690962 -0.02081011 -0.0229562 ] [-0.01498044 -0.02024967 -0.00168263] [ 0.00079183 0.02165094 0.00979741] [ 0.00673038 0.01328139 0.00796698] [-0.00296521 -0.02063102 0.00759193] [ 0.02863904 0.01982842 0.00710934] [-0.01507615 0.00199809 -0.01132871] [ 0.03274934 -0.01780988 -0.02244165] [-0.04075527 -0.02755819 0.01486693] [-0.02284908 -0.00191657 -0.00598574] [-0.01040461 -0.01615173 0.01849142] [ 0.01951063 -0.00901661 -0.00725494] [ 0.00100427 0.001298 -0.00620952] [-0.02825681 -0.012911 -0.02044448] [-0.00497465 -0.03449122 0.02711241] [ 0.02025532 0.02532888 0.01569821] [-0.01366756 -0.0362917 -0.01272222]] Final stress: [-8.12066720e-04 -1.08570895e-03 2.97056935e-03 -3.28845820e-06 -4.95453486e-06 -6.74428655e-05] Minimization converged after 76 steps. Minimization converged after 78 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.0064364 0.01783495 0.02186901] [-0.0064364 -0.01783494 0.021869 ] [-0.0064364 0.01783494 -0.021869 ] [ 0.0064364 -0.01783495 -0.021869 ] [-0.01066971 -0.02000606 -0.00660741] [ 0.01066972 0.02000606 -0.00660741] [ 0.01066971 -0.02000605 0.00660741] [-0.01066971 0.02000605 0.00660741] [-0.01210814 -0.02210446 -0.05363111] [-0.01210814 0.02210446 0.05363111] [ 0.01210814 0.02210446 -0.0536311 ] [ 0.01210814 -0.02210446 0.05363111] [ 0.01008474 0.0306951 0.00349485] [-0.01008475 0.03069511 -0.00349485] [ 0.01008475 -0.03069511 -0.00349485] [-0.01008475 -0.03069511 0.00349485] [-0.05510101 0.00517627 -0.02800099] [ 0.05510101 -0.00517627 -0.02800099] [ 0.05510101 0.00517627 0.02800098] [-0.05510101 -0.00517627 0.02800099] [ 0.03660746 0.01398957 -0.03269093] [-0.03660746 -0.01398958 -0.03269093] [-0.03660747 0.01398957 0.03269092] [ 0.03660746 -0.01398957 0.03269092]] Final stress: [-7.09890774e-04 -9.04606524e-05 3.62026516e-03 4.06661935e-12 5.43252668e-12 2.92327679e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[ 5.26284758e-02 3.21072292e-02 4.81423071e-02] [ 8.10038223e-02 4.36687265e-02 -7.21917617e-02] [-5.73534637e-02 8.98255416e-02 -6.54524426e-02] [-2.61332914e-02 4.11203051e-02 2.95654804e-02] [ 2.68057049e-02 3.19744984e-02 1.85440234e-02] [-8.47631371e-03 -3.33789391e-02 1.97468191e-02] [-1.04734170e-02 3.73515771e-02 -3.08842819e-02] [ 1.37355305e-02 -1.06633137e-02 6.36103370e-03] [ 2.00054674e-02 1.44516604e-02 1.22490625e-02] [ 3.13030380e-02 -2.21400274e-02 -2.43010444e-02] [-4.21344678e-02 -1.59253981e-02 6.94910754e-03] [-4.06459348e-02 1.19227411e-02 -1.79596068e-03] [-1.70022023e-02 -9.79903773e-04 -3.16210624e-02] [ 8.63829494e-03 -1.90057963e-02 2.75486522e-02] [ 6.90957410e-03 -2.04279114e-02 1.56357459e-02] [-1.96436416e-02 -6.00062768e-03 -8.07375228e-03] [-2.82237592e-02 -1.16690642e-02 -1.12810305e-02] [-3.08189754e-02 -2.18892967e-02 2.66911402e-02] [ 3.27093021e-02 -2.18633843e-02 3.53721250e-03] [ 2.12675642e-02 -5.55180302e-04 -3.72598369e-03] [-1.02771528e-02 -4.39495657e-02 -2.78416768e-05] [-3.87495970e-02 -1.98941711e-02 6.03473342e-02] [ 2.54574009e-02 -5.07416772e-02 3.79863566e-02] [ 9.46804165e-03 -3.33802243e-03 -6.39491135e-02]] Final stress: [ 3.49899004e-03 -5.92653924e-04 -1.48364423e-03 6.80076528e-05 -1.40735009e-05 1.42163360e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-2.01662290e-02 6.13439542e-03 -1.30646760e-02] [ 5.07317428e-03 1.83738142e-02 -5.53290977e-03] [-2.15182203e-02 8.45108652e-03 -2.11457302e-02] [-2.48249698e-05 -2.67961246e-02 -7.21495928e-03] [ 1.19919585e-02 3.42608042e-02 2.22481957e-02] [-1.73842677e-02 -2.43346655e-02 8.67293987e-03] [-1.32522420e-02 1.78815196e-02 -3.78489569e-03] [ 7.38699269e-03 -2.69491731e-02 -1.62173514e-02] [ 3.06337741e-02 1.03532623e-02 7.27420896e-03] [ 3.47231711e-02 -1.20287488e-02 -1.02628221e-02] [-2.13682568e-02 -1.57471132e-02 2.00140238e-02] [-2.50258917e-02 1.70355380e-02 -2.24284422e-02] [ 3.63627169e-03 -1.05463782e-02 -1.43677722e-02] [ 8.21322099e-03 -5.15872032e-04 1.99390778e-02] [ 2.72401025e-03 1.12441685e-02 1.51888435e-02] [ 5.71924505e-03 -1.57612814e-03 -1.80415716e-02] [ 7.45967276e-03 1.69222222e-03 9.26652990e-03] [-9.41927335e-03 2.88922266e-04 -9.04267518e-04] [-2.37537753e-03 -1.35677934e-02 7.47715793e-03] [ 3.71707957e-03 9.91540768e-03 -4.01695196e-03] [ 1.05049044e-02 -6.67216328e-03 1.47603415e-02] [-7.11543533e-03 9.76461181e-03 3.44269641e-02] [ 1.16604362e-02 -2.07009864e-02 -1.85219920e-02] [-5.79389291e-03 1.40393941e-02 -3.76394114e-03]] Final stress: [ 2.65388821e-03 -7.06310908e-04 -1.25031034e-03 -6.63014728e-05 -3.95953104e-07 2.12094405e-06] Minimization converged after 77 steps. Minimization converged after 75 steps. Minimization converged after 104 steps. Minimization converged after 104 steps. Minimization converged after 77 steps. Minimization converged after 75 steps. Minimization converged after 105 steps. Minimization converged after 104 steps. Minimization converged after 82 steps. Minimization converged after 82 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.0192217 0.00066437 0.01259678] [-0.0192217 -0.00066438 0.01259678] [-0.0192217 0.00066438 -0.01259678] [ 0.0192217 -0.00066438 -0.01259678] [-0.00019588 -0.01755269 0.02402783] [ 0.00019588 0.01755269 0.02402783] [ 0.00019588 -0.01755269 -0.02402783] [-0.00019588 0.01755269 -0.02402783] [ 0.00610417 0.00679512 0.00239356] [ 0.00610417 -0.00679512 -0.00239356] [-0.00610417 -0.00679512 0.00239356] [-0.00610417 0.00679512 -0.00239356] [-0.01131256 0.02471482 0.00512099] [ 0.01131256 0.02471482 -0.00512099] [-0.01131256 -0.02471482 -0.00512099] [ 0.01131256 -0.02471482 0.00512099] [-0.01890464 -0.01267545 -0.00388688] [ 0.01890464 0.01267545 -0.00388688] [ 0.01890464 -0.01267545 0.00388688] [-0.01890464 0.01267545 0.00388688] [ 0.00320557 0.01954644 0.01223638] [-0.00320557 -0.01954644 0.01223638] [-0.00320557 0.01954644 -0.01223638] [ 0.00320557 -0.01954644 -0.01223638]] Final stress: [ 3.43625268e-03 1.42663261e-04 -1.17899723e-04 -4.39091748e-13 4.98853704e-13 4.28103639e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00040814 0.00661681 0.01081501] [ 0.00040816 -0.00661679 0.01081499] [ 0.00040808 0.00661687 -0.01081507] [-0.00040816 -0.00661678 -0.01081499] [ 0.00921754 0.01557178 0.01217598] [-0.00921754 -0.01557177 0.01217597] [-0.00921754 0.01557178 -0.01217598] [ 0.00921753 -0.01557176 -0.01217596] [ 0.02600175 0.0036734 -0.0004995 ] [ 0.02600176 -0.00367341 0.00049949] [-0.02600174 -0.00367339 -0.00049951] [-0.02600174 0.00367339 0.00049951] [-0.01258484 0.00778219 -0.00480644] [ 0.01258482 0.00778221 0.00480643] [-0.01258481 -0.00778222 0.00480642] [ 0.0125848 -0.00778222 -0.00480642] [ 0.01346143 -0.00506762 -0.01001466] [-0.01346146 0.00506761 -0.01001467] [-0.01346143 -0.00506764 0.01001469] [ 0.01346147 0.00506763 0.01001466] [ 0.003448 0.00675535 -0.00672622] [-0.003448 -0.00675536 -0.00672618] [-0.00344796 0.00675531 0.00672625] [ 0.003448 -0.00675537 0.0067262 ]] Final stress: [-9.25979936e-05 -5.10250727e-04 2.70114384e-03 -2.27857026e-11 1.28562238e-11 -1.66892218e-11] Minimization converged after 49 steps. Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.11820175e-03 -2.33558910e-04 -9.53241592e-04] [-1.11819987e-03 2.33560421e-04 -9.53242893e-04] [-1.11822091e-03 -2.33539491e-04 9.53222253e-04] [ 1.11820360e-03 2.33556430e-04 9.53239553e-04] [-7.27037796e-05 -1.93806006e-03 1.70663791e-03] [ 7.27041015e-05 1.93806017e-03 1.70663691e-03] [ 7.27052877e-05 -1.93806199e-03 -1.70663602e-03] [-7.27053869e-05 1.93806230e-03 -1.70663506e-03] [-4.87237079e-04 -3.96066191e-04 -1.16041150e-05] [-4.87235391e-04 3.96065479e-04 1.16032042e-05] [ 4.87239190e-04 3.96067785e-04 -1.16070900e-05] [ 4.87237316e-04 -3.96067013e-04 1.16054062e-05] [ 1.10221412e-03 9.72810246e-04 6.41957681e-04] [-1.10221255e-03 9.72809819e-04 -6.41956710e-04] [ 1.10221580e-03 -9.72811626e-04 -6.41958622e-04] [-1.10221680e-03 -9.72813031e-04 6.41959442e-04] [-2.60489545e-03 1.00090859e-03 1.02811423e-03] [ 2.60489117e-03 -1.00090884e-03 1.02811128e-03] [ 2.60490002e-03 1.00090107e-03 -1.02810586e-03] [-2.60489261e-03 -1.00090533e-03 -1.02811283e-03] [-1.85337220e-03 1.72571361e-04 2.83314512e-03] [ 1.85337237e-03 -1.72570994e-04 2.83314827e-03] [ 1.85338439e-03 1.72560813e-04 -2.83313554e-03] [-1.85337706e-03 -1.72571015e-04 -2.83314493e-03]] Final stress: [ 1.74682851e-04 1.87133684e-04 -3.31686184e-04 5.49559105e-13 4.10052325e-13 4.88634149e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00662611 0.01085607 -0.00035478] [-0.00662609 -0.01085605 -0.00035481] [-0.00662612 0.01085607 0.00035478] [ 0.00662618 -0.01085614 0.00035472] [ 0.0037213 -0.00033425 0.02633104] [-0.0037213 0.00033424 0.02633105] [-0.00372129 -0.00033427 -0.02633103] [ 0.00372129 0.00033427 -0.02633103] [ 0.00782082 -0.00483129 -0.01272602] [ 0.00782084 0.00483128 0.012726 ] [-0.00782083 0.00483128 -0.012726 ] [-0.00782085 -0.00483127 0.01272598] [ 0.01560853 0.01232717 0.00932175] [-0.01560851 0.01232716 -0.00932174] [ 0.01560851 -0.01232716 -0.00932174] [-0.01560852 -0.01232716 0.00932174] [-0.00528097 -0.01015788 0.01348233] [ 0.00528097 0.01015788 0.01348235] [ 0.00528096 -0.01015789 -0.01348234] [-0.00528098 0.01015791 -0.01348232] [ 0.00688041 -0.00643252 0.00335981] [-0.00688043 0.0064325 0.00335981] [-0.00688039 -0.00643249 -0.0033598 ] [ 0.00688036 0.00643254 -0.00335976]] Final stress: [-5.05275755e-04 2.71698310e-03 -8.17582067e-05 -1.05869488e-11 6.87046618e-13 -1.63417604e-11] Minimization converged after 53 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.49466020e-04 -9.65234923e-04 1.12195028e-03] [ 2.49466731e-04 9.65236008e-04 1.12194901e-03] [ 2.49464678e-04 -9.65233297e-04 -1.12195122e-03] [-2.49445562e-04 9.65214285e-04 -1.12197060e-03] [-3.79977621e-04 2.24232050e-05 -4.68669216e-04] [ 3.79976613e-04 -2.24245480e-05 -4.68667467e-04] [ 3.79979885e-04 2.24190206e-05 4.68672294e-04] [-3.79979461e-04 -2.24200674e-05 4.68670951e-04] [ 9.94407341e-04 6.33019029e-04 1.08923124e-03] [ 9.94406762e-04 -6.33017874e-04 -1.08922926e-03] [-9.94408695e-04 -6.33019851e-04 1.08923265e-03] [-9.94409989e-04 6.33020322e-04 -1.08923307e-03] [-1.98673827e-03 1.72251239e-03 -8.61816091e-05] [ 1.98673908e-03 1.72251098e-03 8.61823643e-05] [-1.98673897e-03 -1.72251158e-03 8.61824782e-05] [ 1.98673998e-03 -1.72251006e-03 -8.61829419e-05] [ 1.05125030e-03 1.02971001e-03 -2.62072830e-03] [-1.05124925e-03 -1.02970894e-03 -2.62072508e-03] [-1.05124983e-03 1.02970451e-03 2.62072422e-03] [ 1.05124353e-03 -1.02969908e-03 2.62073247e-03] [ 1.36304383e-04 2.89554126e-03 -1.87323559e-03] [-1.36305470e-04 -2.89554304e-03 -1.87323807e-03] [-1.36302053e-04 2.89554393e-03 1.87323689e-03] [ 1.36291899e-04 -2.89553170e-03 1.87324756e-03]] Final stress: [ 1.88741175e-04 -3.32280393e-04 1.76553025e-04 -1.69193788e-12 5.16260443e-12 1.29337426e-12] Minimization converged after 100 steps. Minimization converged after 105 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 99 steps. Minimization converged after 96 steps. Minimization converged after 74 steps. Minimization converged after 74 steps. Minimization converged after 93 steps. Minimization converged after 105 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.01272943 0.0193709 0.00075966] [-0.01272943 -0.0193709 0.00075966] [-0.01272942 0.0193709 -0.00075966] [ 0.01272943 -0.0193709 -0.00075967] [ 0.00504021 -0.01146585 0.02483566] [-0.00504021 0.01146585 0.02483566] [-0.00504021 -0.01146585 -0.02483566] [ 0.00504021 0.01146585 -0.02483566] [ 0.02420448 -0.00010913 -0.01756675] [ 0.02420448 0.00010913 0.01756675] [-0.02420448 0.00010912 -0.01756675] [-0.02420448 -0.00010912 0.01756675] [ 0.00226211 0.00602034 0.00679064] [-0.00226211 0.00602034 -0.00679064] [ 0.00226211 -0.00602034 -0.00679064] [-0.00226211 -0.00602034 0.00679064] [-0.00403384 -0.01904252 -0.0128956 ] [ 0.00403384 0.01904252 -0.0128956 ] [ 0.00403384 -0.01904252 0.0128956 ] [-0.00403384 0.01904252 0.0128956 ] [ 0.01236299 0.0031848 0.01964851] [-0.01236299 -0.0031848 0.01964851] [-0.01236299 0.00318481 -0.01964851] [ 0.01236299 -0.0031848 -0.01964851]] Final stress: [-1.11545096e-04 3.44830014e-03 1.48006810e-04 1.51889417e-13 -5.06523021e-13 -2.29397601e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.01097861 -0.00025252 0.00673747] [-0.01097857 0.00025255 0.00673744] [-0.0109786 -0.00025253 -0.00673746] [ 0.0109786 0.00025252 -0.00673746] [-0.00491149 -0.01292732 0.00784791] [ 0.00491148 0.0129273 0.00784793] [ 0.00491148 -0.0129273 -0.00784792] [-0.00491148 0.0129273 -0.00784792] [ 0.01252959 0.00940308 0.01572151] [ 0.0125296 -0.00940309 -0.01572152] [-0.01252959 -0.00940309 0.01572151] [-0.01252958 0.00940308 -0.01572149] [-0.00022674 0.02668491 0.00375016] [ 0.00022672 0.02668492 -0.00375017] [-0.00022674 -0.02668491 -0.00375016] [ 0.00022673 -0.02668492 0.00375016] [-0.01029452 0.01360395 -0.00553147] [ 0.01029452 -0.01360397 -0.00553146] [ 0.01029452 0.01360397 0.00553148] [-0.01029452 -0.01360395 0.00553146] [-0.00620331 0.00330792 0.00705403] [ 0.0062033 -0.00330793 0.00705407] [ 0.00620331 0.00330792 -0.00705405] [-0.0062033 -0.00330791 -0.00705405]] Final stress: [ 2.73270956e-03 -7.25583980e-05 -5.02549394e-04 -7.36064852e-11 -4.75967562e-11 6.76884432e-12] Minimization converged after 50 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.02212454e-03 1.21824286e-03 -3.06643800e-04] [ 1.02210111e-03 -1.21826619e-03 -3.06620162e-04] [ 1.02211983e-03 1.21824746e-03 3.06638493e-04] [-1.02212629e-03 -1.21824054e-03 3.06645692e-04] [ 6.12750755e-04 1.09793073e-03 1.10912072e-03] [-6.12749812e-04 -1.09792935e-03 1.10912039e-03] [-6.12751381e-04 1.09793196e-03 -1.10912172e-03] [ 6.12753078e-04 -1.09793455e-03 -1.10912428e-03] [ 1.91219470e-03 -9.35692976e-05 -2.19157939e-03] [ 1.91219303e-03 9.35701163e-05 2.19158049e-03] [-1.91219149e-03 9.35718546e-05 -2.19158305e-03] [-1.91219122e-03 -9.35713831e-05 2.19158224e-03] [ 1.12314837e-04 -4.31767297e-04 -3.75355719e-04] [-1.12317042e-04 -4.31764421e-04 3.75354259e-04] [ 1.12312645e-04 4.31769063e-04 3.75356922e-04] [-1.12315014e-04 4.31766102e-04 -3.75355735e-04] [ 1.06182407e-03 -2.85648127e-03 1.20720359e-03] [-1.06181508e-03 2.85648697e-03 1.20719453e-03] [-1.06182180e-03 -2.85647846e-03 -1.20719917e-03] [ 1.06182230e-03 2.85647699e-03 -1.20720383e-03] [ 3.25406875e-03 -2.03367686e-03 7.43076963e-05] [-3.25405657e-03 2.03369270e-03 7.42946422e-05] [-3.25406719e-03 -2.03368447e-03 -7.43061391e-05] [ 3.25407231e-03 2.03367727e-03 -7.43066781e-05]] Final stress: [-3.41077820e-04 1.91235202e-04 2.02866759e-04 5.73068429e-12 2.84252429e-12 1.96045945e-13] Minimization converged after 93 steps. Minimization converged after 107 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 94 steps. Minimization converged after 101 steps. Minimization converged after 76 steps. Minimization converged after 75 steps. Minimization converged after 98 steps. Minimization converged after 97 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00067735 0.01262181 0.01922728] [-0.00067735 -0.01262181 0.01922728] [-0.00067736 0.01262181 -0.01922728] [ 0.00067737 -0.01262182 -0.01922729] [ 0.00677655 0.00240651 0.00608461] [-0.00677655 -0.00240651 0.00608461] [-0.00677655 0.00240651 -0.00608461] [ 0.00677655 -0.00240651 -0.00608461] [ 0.02473852 0.00512066 -0.01127782] [ 0.02473852 -0.00512066 0.01127782] [-0.02473852 -0.00512066 -0.01127782] [-0.02473852 0.00512066 0.01127782] [-0.01756201 0.02402569 -0.00019748] [ 0.01756201 0.02402569 0.00019748] [-0.01756201 -0.02402569 0.00019749] [ 0.01756201 -0.02402569 -0.00019749] [-0.01267678 -0.00394573 -0.01893536] [ 0.01267678 0.00394573 -0.01893536] [ 0.01267678 -0.00394574 0.01893536] [-0.01267679 0.00394574 0.01893536] [ 0.01955026 0.01225661 0.00323602] [-0.01955026 -0.01225661 0.00323602] [-0.01955026 0.01225661 -0.00323602] [ 0.01955025 -0.01225661 -0.00323602]] Final stress: [ 1.43316793e-04 -1.17656095e-04 3.43544655e-03 -5.60275252e-13 -1.58854947e-12 9.07434595e-14] Minimization converged after 96 steps. Minimization converged after 97 steps. Minimization converged after 73 steps. Minimization converged after 73 steps. Minimization converged after 107 steps. Minimization converged after 102 steps. Minimization converged after 73 steps. Minimization converged after 74 steps. Minimization converged after 92 steps. Minimization converged after 105 steps. Minimization converged after 76 steps. Minimization converged after 75 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00057552 -0.00700499 0.00980159] [-0.00057549 0.00700501 0.00980157] [-0.00057553 -0.00700497 -0.0098016 ] [ 0.00057551 0.00700499 -0.00980159] [-0.00739582 -0.0178776 0.01059324] [ 0.00739583 0.01787761 0.01059323] [ 0.00739583 -0.01787761 -0.01059323] [-0.00739583 0.01787761 -0.01059323] [ 0.00320239 -0.00758791 0.0170058 ] [ 0.00320239 0.00758791 -0.0170058 ] [-0.00320239 0.00758791 0.0170058 ] [-0.00320239 -0.00758791 -0.0170058 ] [ 0.00118821 0.00800813 0.00337517] [-0.00118821 0.00800813 -0.00337516] [ 0.00118822 -0.00800813 -0.00337517] [-0.00118822 -0.00800813 0.00337517] [-0.0019666 0.00244145 -0.01167576] [ 0.00196659 -0.00244145 -0.01167575] [ 0.0019666 0.00244144 0.01167576] [-0.00196659 -0.00244145 0.01167576] [ 0.00384112 0.00439831 0.00574389] [-0.00384113 -0.00439832 0.00574391] [-0.00384111 0.0043983 -0.00574388] [ 0.00384111 -0.00439832 -0.0057439 ]] Final stress: [ 1.41359733e-03 -1.12857138e-04 -3.44326043e-04 1.38151782e-11 3.87205380e-12 4.57099113e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00118861 0.00017437 0.00192864] [ 0.00118865 -0.00017434 0.0019286 ] [ 0.00118868 0.00017431 -0.00192857] [-0.00118866 -0.00017432 -0.00192859] [ 0.00057685 0.0031088 0.00064119] [-0.00057685 -0.0031088 0.00064119] [-0.00057686 0.00310881 -0.0006412 ] [ 0.00057686 -0.0031088 -0.00064119] [ 0.0026416 0.00139019 0.00186387] [ 0.0026416 -0.00139019 -0.00186388] [-0.00264162 -0.00139021 0.0018639 ] [-0.00264161 0.0013902 -0.00186388] [-0.00404911 0.00038843 -0.002894 ] [ 0.0040491 0.00038844 0.002894 ] [-0.00404909 -0.00038844 0.00289399] [ 0.00404911 -0.00038843 -0.002894 ] [ 0.0014098 -0.00047735 -0.00186038] [-0.0014098 0.00047735 -0.00186036] [-0.00140982 -0.00047734 0.00186036] [ 0.00140982 0.00047734 0.00186037] [ 0.00096554 -0.00129065 0.00048536] [-0.00096555 0.00129062 0.00048538] [-0.00096559 -0.00129061 -0.00048539] [ 0.00096558 0.00129062 -0.0004854 ]] Final stress: [-1.63559526e-04 -2.39045001e-04 5.90925496e-04 3.93280285e-12 -1.43592395e-11 -4.67276259e-11] Minimization converged after 54 steps. Minimization converged after 52 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00017438 0.00192703 -0.00117435] [-0.00017431 -0.00192696 -0.00117442] [-0.00017437 0.00192702 0.00117436] [ 0.00017436 -0.001927 0.00117438] [ 0.00137726 0.00185699 0.002631 ] [-0.00137727 -0.00185701 0.002631 ] [-0.00137726 0.001857 -0.002631 ] [ 0.00137726 -0.00185699 -0.00263099] [ 0.00038371 -0.00288122 -0.00402971] [ 0.00038371 0.00288122 0.00402971] [-0.00038371 0.00288121 -0.00402971] [-0.00038372 -0.00288121 0.0040297 ] [ 0.00309368 0.00063657 0.00058084] [-0.00309368 0.00063657 -0.00058084] [ 0.0030937 -0.00063659 -0.00058085] [-0.00309368 -0.00063657 0.00058084] [-0.00048748 -0.001858 0.00138973] [ 0.00048744 0.00185799 0.00138975] [ 0.00048747 -0.00185801 -0.00138974] [-0.00048745 0.00185801 -0.00138974] [-0.00128212 0.00048831 0.0009571 ] [ 0.00128209 -0.00048836 0.00095714] [ 0.00128211 0.00048834 -0.0009571 ] [-0.00128211 -0.00048833 -0.00095712]] Final stress: [-2.38675646e-04 5.90135933e-04 -1.63493825e-04 -1.99764768e-11 2.33568878e-13 -3.12995842e-11] Minimization converged after 54 steps. Minimization converged after 53 steps. Minimization converged after 55 steps. Minimization converged after 106 steps. Minimization converged after 102 steps. Minimization converged after 78 steps. Minimization converged after 81 steps. Minimization converged after 97 steps. Minimization converged after 99 steps. Minimization converged after 75 steps. Minimization converged after 76 steps. Minimization converged after 101 steps. Minimization converged after 106 steps. Minimization converged after 79 steps. Minimization converged after 75 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00994467 0.00054647 -0.00713001] [-0.00994467 -0.00054647 -0.00713001] [-0.00994467 0.00054647 0.00713001] [ 0.00994467 -0.00054647 0.00713001] [ 0.0034238 0.00114508 0.00809534] [-0.0034238 -0.00114508 0.00809534] [-0.0034238 0.00114508 -0.00809534] [ 0.0034238 -0.00114508 -0.00809534] [ 0.0109322 -0.00735273 -0.01791849] [ 0.0109322 0.00735273 0.01791849] [-0.01093219 0.00735273 -0.0179185 ] [-0.0109322 -0.00735273 0.01791849] [ 0.01702366 0.00308607 -0.00780665] [-0.01702366 0.00308607 0.00780665] [ 0.01702366 -0.00308607 0.00780665] [-0.01702366 -0.00308608 -0.00780665] [-0.01165204 -0.00211444 0.0022711 ] [ 0.01165203 0.00211444 0.00227109] [ 0.01165204 -0.00211444 -0.0022711 ] [-0.01165204 0.00211444 -0.00227109] [ 0.00573501 0.00374174 0.00461 ] [-0.00573501 -0.00374174 0.00461001] [-0.00573501 0.00374174 -0.00461001] [ 0.00573501 -0.00374174 -0.00461 ]] Final stress: [-3.41521214e-04 1.43187114e-03 -1.11486400e-04 -8.02621301e-12 9.97183162e-12 2.33772810e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00194438 -0.00120714 0.0001792 ] [-0.00194435 0.00120717 0.00017917] [-0.0019443 -0.00120722 -0.00017912] [ 0.00194435 0.00120717 -0.00017918] [-0.00292133 -0.00408493 0.00039609] [ 0.00292133 0.00408494 0.00039609] [ 0.00292132 -0.00408493 -0.0003961 ] [-0.00292134 0.00408495 -0.00039609] [ 0.00064201 0.00057228 0.00314229] [ 0.00064201 -0.00057227 -0.00314229] [-0.00064202 -0.00057228 0.0031423 ] [-0.000642 0.00057227 -0.00314228] [ 0.00188732 0.00266891 0.00141039] [-0.00188732 0.0026689 -0.00141039] [ 0.00188734 -0.00266892 -0.0014104 ] [-0.00188731 -0.00266889 0.00141038] [-0.00188824 0.0014259 -0.00048541] [ 0.00188824 -0.0014259 -0.00048541] [ 0.00188821 0.00142591 0.00048538] [-0.00188825 -0.0014259 0.0004854 ] [ 0.00048069 0.00097802 -0.00130958] [-0.00048071 -0.00097805 -0.00130956] [-0.00048075 0.00097808 0.00130953] [ 0.00048071 -0.00097804 0.00130955]] Final stress: [ 5.93244274e-04 -1.63452567e-04 -2.39633042e-04 -2.27494905e-11 6.20540661e-12 -4.48326529e-11] Minimization converged after 53 steps. Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-0.01568516 0.01858954 -0.01461126] [ 0.01566989 -0.01860581 -0.01459467] [ 0.01556448 0.01871139 0.01449364] [-0.01562813 -0.01864878 0.01455623] [-0.01832396 -0.02036087 -0.00605467] [ 0.0183302 0.02037037 -0.006064 ] [ 0.01834106 -0.02038629 0.00607668] [-0.01834045 0.02038591 0.0060782 ] [ 0.00119709 -0.01894656 -0.02057571] [ 0.00121322 0.01893851 0.02056274] [-0.00119279 0.01894996 -0.02058014] [-0.00120289 -0.0189471 0.02057553] [ 0.00484068 -0.01836084 0.01738467] [-0.00484186 -0.01835707 -0.01738434] [ 0.00483843 0.01836199 -0.0173832 ] [-0.00485075 0.01834984 0.01739057] [ 0.01571521 -0.02292974 -0.0070627 ] [-0.01571238 0.02293062 -0.00707515] [-0.01568667 -0.02298298 0.00710125] [ 0.01570738 0.02296519 0.00707803] [ 0.00138982 -0.00758253 0.00306855] [-0.00137733 0.00759906 0.00307035] [-0.00130518 -0.00764401 -0.00300784] [ 0.0013401 0.00760019 -0.00304276]] Final stress: [-2.48534764e-03 2.53881337e-03 -1.25803628e-04 6.50355332e-09 -1.77455552e-08 1.14914180e-08] Minimization converged after 103 steps. Minimization converged after 93 steps. Minimization converged after 77 steps. Minimization converged after 80 steps. Minimization converged after 95 steps. Minimization converged after 103 steps. Minimization converged after 78 steps. Minimization converged after 80 steps. Minimization converged after 87 steps. Minimization converged after 91 steps. Minimization converged after 76 steps. Minimization converged after 75 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00706717 0.00987101 0.00056551] [ 0.00706717 -0.00987102 0.00056551] [ 0.00706719 0.00987099 -0.00056549] [-0.00706715 -0.00987103 -0.00056553] [-0.00768331 0.01702526 0.00314474] [ 0.00768331 -0.01702526 0.00314474] [ 0.00768331 0.01702526 -0.00314474] [-0.00768331 -0.01702526 -0.00314474] [ 0.0080557 0.00339532 0.00115601] [ 0.0080557 -0.00339532 -0.00115601] [-0.0080557 -0.00339533 0.00115602] [-0.0080557 0.00339532 -0.00115602] [-0.01789903 0.01074912 -0.00737202] [ 0.01789904 0.01074912 0.00737202] [-0.01789904 -0.01074912 0.00737203] [ 0.01789905 -0.01074911 -0.00737203] [ 0.00238245 -0.01167107 -0.00203139] [-0.00238244 0.01167107 -0.00203138] [-0.00238245 -0.01167107 0.00203138] [ 0.00238243 0.01167107 0.00203139] [ 0.00450433 0.00574967 0.00377163] [-0.00450433 -0.00574967 0.00377162] [-0.00450434 0.00574968 -0.00377164] [ 0.00450432 -0.00574966 -0.00377162]] Final stress: [-1.12496130e-04 -3.43315588e-04 1.42236696e-03 2.23906761e-12 -2.11915213e-12 2.81565820e-12] Minimization converged after 93 steps. Minimization converged after 95 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 93 steps. Minimization converged after 106 steps. Minimization converged after 78 steps. Minimization converged after 79 steps. Minimization converged after 103 steps. Minimization converged after 107 steps. Minimization converged after 81 steps. Minimization converged after 79 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 58 steps. Minimization converged after 47 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00012726 0.00093319 0.00210513] [-0.00012725 -0.00093318 0.00210512] [-0.00012724 0.00093317 -0.00210512] [ 0.00012725 -0.00093318 -0.00210513] [ 0.00102259 0.00299106 0.00166227] [-0.00102259 -0.00299105 0.00166226] [-0.00102259 0.00299106 -0.00166227] [ 0.00102259 -0.00299105 -0.00166227] [ 0.00265791 0.00022793 0.00061274] [ 0.0026579 -0.00022793 -0.00061274] [-0.00265791 -0.00022794 0.00061275] [-0.00265791 0.00022793 -0.00061274] [ 0.00163515 0.00373881 0.00028012] [-0.00163515 0.00373881 -0.00028012] [ 0.00163515 -0.00373882 -0.00028013] [-0.00163516 -0.00373882 0.00028013] [ 0.00035187 0.00168017 0.00057252] [-0.00035187 -0.00168018 0.00057252] [-0.00035187 0.00168018 -0.00057253] [ 0.00035187 -0.00168018 -0.00057252] [ 0.00315721 0.0009631 -0.00129135] [-0.00315721 -0.00096311 -0.00129134] [-0.00315722 0.00096311 0.00129134] [ 0.00315721 -0.00096311 0.00129134]] Final stress: [-1.97529525e-04 -1.84640378e-04 5.13121724e-04 -5.55331171e-12 1.19693264e-11 7.50960595e-12] Minimization converged after 52 steps. Minimization converged after 54 steps. Minimization converged after 60 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.0009691 0.00208646 0.00014866] [-0.00096909 -0.00208645 0.00014865] [-0.00096911 0.00208647 -0.00014867] [ 0.00096908 -0.00208644 -0.00014864] [ 0.00015379 0.00044503 0.00274566] [-0.00015379 -0.00044502 0.00274565] [-0.00015379 0.00044503 -0.00274566] [ 0.00015379 -0.00044503 -0.00274565] [ 0.00365989 0.00024082 0.00147988] [ 0.00365989 -0.00024082 -0.00147988] [-0.00365989 -0.00024081 0.00147987] [-0.00365989 0.00024081 -0.00147987] [ 0.00284535 0.00165483 0.00095784] [-0.00284536 0.00165483 -0.00095784] [ 0.00284536 -0.00165483 -0.00095784] [-0.00284537 -0.00165484 0.00095785] [ 0.00168225 0.00060098 0.00061273] [-0.00168226 -0.00060099 0.00061273] [-0.00168225 0.00060098 -0.00061273] [ 0.00168227 -0.00060099 -0.00061274] [ 0.00100878 -0.00139862 0.00313211] [-0.00100879 0.00139862 0.00313213] [-0.00100878 -0.00139863 -0.00313211] [ 0.00100879 0.00139861 -0.00313213]] Final stress: [-1.84978548e-04 5.13855091e-04 -1.96657884e-04 -7.68321865e-12 -2.58782834e-12 1.34172228e-12] Minimization converged after 53 steps. Minimization converged after 52 steps. Minimization converged after 67 steps. Minimization converged after 103 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-2.40762884e-03 -1.58560229e-03 1.00848155e-03] [-6.82712162e-04 -1.79837863e-04 9.10437920e-06] [-6.82749050e-04 1.79850057e-04 -9.13439250e-06] [-2.40842157e-03 1.58638991e-03 -1.00770100e-03] [ 1.52601223e-03 -1.91708391e-03 -2.05791458e-03] [ 2.14490057e-03 9.99053007e-06 3.87633835e-03] [ 2.14480595e-03 -9.83864902e-06 -3.87649164e-03] [ 1.52605304e-03 1.91702205e-03 2.05789502e-03] [ 6.27946784e-04 -2.92085614e-03 -8.71679315e-04] [ 6.27908644e-04 2.92085785e-03 8.71689487e-04] [ 1.61812920e-03 -1.88953226e-04 1.79087448e-03] [ 1.61821287e-03 1.88907934e-04 -1.79080615e-03] [-1.84059294e-04 7.94459511e-04 -7.63381193e-04] [ 2.43996094e-04 -4.20674536e-04 3.13461608e-04] [-1.83925347e-04 -7.94569094e-04 7.63291520e-04] [ 2.43910379e-04 4.20602874e-04 -3.13410123e-04] [-8.94607081e-04 -4.58845474e-04 -2.41291841e-03] [-4.46260188e-04 4.99681472e-04 3.27155451e-04] [-4.46126756e-04 -4.99581778e-04 -3.27164560e-04] [-8.94307312e-04 4.58533555e-04 2.41273175e-03] [-1.15973913e-03 1.31057497e-04 -7.57032034e-04] [-3.85961275e-04 7.41002186e-04 7.09611581e-04] [-3.86082266e-04 -7.41078260e-04 -7.09518597e-04] [-1.15929549e-03 -1.31434209e-04 7.56516824e-04]] Final stress: [ 3.35963298e-04 -1.30191842e-04 -1.35640406e-04 2.81132945e-05 -7.19305814e-11 -5.97452932e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 7.60579074e-04 3.14221344e-04 4.91254705e-05] [ 2.32153536e-03 1.63792381e-03 1.07463763e-03] [ 2.32132695e-03 -1.63774489e-03 -1.07483538e-03] [ 7.59661440e-04 -3.13314683e-04 -4.82234406e-05] [-2.12818483e-03 6.80564293e-05 3.88294999e-03] [-1.48251888e-03 2.09546401e-03 -2.00541264e-03] [-1.48261588e-03 -2.09530852e-03 2.00524475e-03] [-2.12815588e-03 -6.80990645e-05 -3.88294276e-03] [-1.58210516e-03 1.37542957e-04 1.81299327e-03] [-1.58213555e-03 -1.37547384e-04 -1.81299007e-03] [-6.12304788e-04 2.83130652e-03 -8.78403631e-04] [-6.12220123e-04 -2.83135575e-03 8.78475451e-04] [-3.65953513e-04 -3.28175225e-04 -3.90799419e-04] [ 1.21863565e-04 7.29962188e-04 6.70526795e-04] [-3.65775173e-04 3.28030031e-04 3.90682312e-04] [ 1.21731815e-04 -7.30070702e-04 -6.70446434e-04] [ 4.66671716e-04 -5.91005964e-04 4.15393522e-04] [ 9.63999260e-04 4.56440167e-04 -2.56932719e-03] [ 9.64221785e-04 -4.56388482e-04 2.56935451e-03] [ 4.67050865e-04 5.90673848e-04 -4.15605750e-04] [ 3.55960437e-04 -7.41351730e-04 6.99148820e-04] [ 1.18048750e-03 -1.31833924e-04 -7.93170905e-04] [ 1.18043859e-03 1.31670303e-04 7.93382986e-04] [ 3.56441430e-04 7.40904719e-04 -6.99757898e-04]] Final stress: [ 3.40176030e-04 -1.29815666e-04 -1.35376717e-04 -2.94485990e-05 -8.06007063e-11 -5.87971871e-11] Minimization converged after 94 steps. Minimization converged after 94 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.00043986 -0.00234722 -0.00026102] [ 0.00136852 -0.00083071 0.0013562 ] [ 0.00043884 -0.00234617 0.00025998] [-0.0013682 -0.00083104 -0.0013565 ] [-0.00051984 -0.00089367 0.00171471] [ 0.00011985 0.00114368 0.00014736] [ 0.00051998 -0.00089388 -0.00171454] [-0.00011995 0.00114385 -0.00014723] [-0.00353044 0.00034191 -0.00048387] [ 0.00249847 0.00321758 -0.00149232] [-0.00249828 0.00321769 0.00149215] [ 0.00353041 0.00034188 0.00048391] [-0.00155447 0.00116644 -0.00209838] [ 0.00155448 0.00116646 0.00209839] [ 0.00107558 0.0008959 -0.00106707] [-0.00107565 0.00089581 0.00106712] [-0.00165539 -0.00108694 -0.00115349] [-0.00124912 -0.00015225 -0.00096457] [ 0.00165563 -0.00108739 0.00115386] [ 0.00124906 -0.00015197 0.00096455] [-0.00107988 -0.00102212 0.00036913] [-0.00026218 -0.00043259 -0.00042576] [ 0.00108058 -0.00102266 -0.00036861] [ 0.00026188 -0.00043259 0.00042599]] Final stress: [ 3.34494099e-04 -1.30189864e-04 -1.35665813e-04 6.59022819e-11 2.91970605e-05 1.07662074e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.00139777 0.00085195 0.0014193 ] [ 0.00029435 0.00224228 -0.0003669 ] [ 0.00139839 0.00085132 -0.00141866] [-0.00029401 0.00224193 0.00036654] [-0.00020143 -0.00105195 0.00033507] [ 0.00042159 0.00090529 0.00156431] [ 0.00020139 -0.00105188 -0.00033512] [-0.0004216 0.00090531 -0.0015643 ] [ 0.00253481 -0.00321788 0.00148558] [-0.00354186 -0.0004612 0.00056953] [ 0.00354173 -0.0004613 -0.00056938] [-0.00253488 -0.00321782 -0.00148568] [ 0.00111976 -0.00087815 0.00095541] [-0.00111973 -0.00087821 -0.00095539] [-0.00154266 -0.00133192 0.00206952] [ 0.00154274 -0.00133182 -0.00206957] [ 0.00121709 0.00021225 -0.00107269] [ 0.00169998 0.00122316 -0.0010798 ] [-0.00121726 0.00021241 0.00107239] [-0.00170008 0.00122322 0.00108 ] [ 0.00033789 0.00044124 -0.0005001 ] [ 0.00113553 0.00106489 0.00043395] [-0.00033828 0.00044167 0.00049982] [-0.00113569 0.00106519 -0.00043384]] Final stress: [ 3.43545808e-04 -1.31138899e-04 -1.36845005e-04 -1.29597970e-10 -3.01479262e-05 -7.15334231e-11] Minimization converged after 108 steps. Minimization converged after 90 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-1.77747331e-03 -1.71644502e-04 -1.02349994e-03] [ 1.77673396e-03 1.70922808e-04 -1.02276627e-03] [-1.90640172e-04 -1.14336865e-03 -2.14463290e-03] [ 1.91025273e-04 1.14300548e-03 -2.14499919e-03] [-1.70024357e-03 -2.14278956e-03 2.24840935e-03] [ 1.70021980e-03 2.14274760e-03 2.24848581e-03] [-1.13689960e-03 2.96722455e-04 2.47231070e-04] [ 1.13695797e-03 -2.96819425e-04 2.47114249e-04] [-3.27801815e-05 -1.55711551e-03 5.02948759e-04] [-9.66097987e-04 1.18195744e-03 -3.92021412e-04] [ 3.28456055e-05 1.55717201e-03 5.02869295e-04] [ 9.66089870e-04 -1.18194609e-03 -3.92037844e-04] [-1.20338264e-03 -2.66948944e-03 1.30669734e-03] [-8.29999191e-04 3.15969871e-03 2.34581179e-03] [ 8.29826921e-04 -3.15954305e-03 2.34592204e-03] [ 1.20348728e-03 2.66956602e-03 1.30662645e-03] [-2.63172961e-04 -2.05125585e-03 -1.82806324e-03] [ 2.63514333e-04 2.05144736e-03 -1.82826025e-03] [ 2.93079426e-04 9.72873494e-04 2.16015229e-04] [-2.93302368e-04 -9.72762641e-04 2.16060033e-04] [ 1.34659478e-04 -1.09697091e-03 -7.88522333e-04] [-1.34330458e-04 1.09742246e-03 -7.89018019e-04] [ 9.48571152e-04 5.87996102e-04 -6.90353333e-04] [-9.48688623e-04 -5.87826311e-04 -6.90016683e-04]] Final stress: [ 3.43022360e-04 -1.31165610e-04 -1.35870060e-04 8.20045604e-11 1.21784615e-10 3.02773112e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 1.78663774e-05 -1.17877892e-03 2.03045006e-03] [-1.71215693e-05 1.17952272e-03 2.02968658e-03] [ 1.84994914e-03 -2.29429681e-04 1.22895789e-03] [-1.84955574e-03 2.29024866e-04 1.22853810e-03] [ 1.31016687e-03 6.30905296e-04 -2.09666360e-04] [-1.31018171e-03 -6.30918507e-04 -2.09669129e-04] [ 1.91896636e-03 -2.45194968e-03 -1.94504206e-03] [-1.91900786e-03 2.45200826e-03 -1.94498325e-03] [-1.18015991e-03 -1.23429399e-03 3.43407776e-04] [ 1.51427414e-04 1.42299540e-03 -4.15647234e-04] [ 1.18001565e-03 1.23418011e-03 3.43586685e-04] [-1.51547140e-04 -1.42290394e-03 -4.15794114e-04] [ 7.79955081e-04 3.25040690e-03 -2.48514651e-03] [ 1.36505423e-03 -2.90261881e-03 -1.13411359e-03] [-1.36495408e-03 2.90249174e-03 -1.13417735e-03] [-7.79938498e-04 -3.25035043e-03 -2.48515510e-03] [-3.45219856e-04 6.63216514e-04 -4.94563148e-04] [ 3.44984766e-04 -6.63389841e-04 -4.94210344e-04] [ 8.18324672e-08 -1.70572123e-03 1.65182613e-03] [-1.43726049e-07 1.70579831e-03 1.65210287e-03] [-7.20691269e-04 1.96807156e-04 7.35926906e-04] [ 7.20301955e-04 -1.97334416e-04 7.36285452e-04] [ 1.14544526e-04 -9.35507082e-04 6.93650888e-04] [-1.14792855e-04 9.35839259e-04 6.93748838e-04]] Final stress: [ 3.40916417e-04 -1.32053387e-04 -1.36481304e-04 -1.09114939e-10 -4.15251092e-11 -2.92788447e-05] Minimization converged after 57 steps. Minimization converged after 46 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00209985 0.00012361 0.00095964] [-0.00209984 -0.0001236 0.00095963] [-0.00209985 0.00012362 -0.00095964] [ 0.00209984 -0.0001236 -0.00095963] [ 0.00022366 0.00148335 0.00368321] [-0.00022365 -0.00148335 0.00368321] [-0.00022366 0.00148335 -0.00368321] [ 0.00022365 -0.00148335 -0.00368321] [ 0.00165024 0.00096213 0.00289525] [ 0.00165024 -0.00096213 -0.00289525] [-0.00165024 -0.00096213 0.00289525] [-0.00165024 0.00096213 -0.00289524] [ 0.00047614 0.00272306 0.00017258] [-0.00047614 0.00272306 -0.00017258] [ 0.00047615 -0.00272307 -0.00017259] [-0.00047615 -0.00272307 0.00017259] [ 0.00058856 0.00055389 0.0016821 ] [-0.00058856 -0.0005539 0.0016821 ] [-0.00058855 0.00055389 -0.0016821 ] [ 0.00058856 -0.0005539 -0.0016821 ] [-0.00139101 0.00314575 0.00098032] [ 0.001391 -0.00314576 0.00098033] [ 0.00139101 0.00314575 -0.00098032] [-0.001391 -0.00314576 -0.00098033]] Final stress: [ 5.14882481e-04 -1.97005635e-04 -1.85247327e-04 -1.49440654e-12 1.41084170e-12 7.00451339e-12] Minimization converged after 54 steps. Minimization converged after 52 steps. Minimization converged after 68 steps. Minimization converged after 106 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-1.08498702e-03 -1.84031288e-03 -2.41557662e-04] [-2.13407906e-03 -2.45597447e-04 -1.09288745e-03] [-2.13260807e-03 2.44125235e-04 1.09433100e-03] [-1.08536112e-03 1.84072882e-03 2.41934791e-04] [ 1.12595153e-03 -1.52203781e-03 -2.86725120e-03] [ 2.28710497e-03 -8.59639182e-04 3.11937184e-03] [ 2.28698569e-03 8.59820370e-04 -3.11948269e-03] [ 1.12615113e-03 1.52172387e-03 2.86695296e-03] [ 1.94002579e-03 -1.85553883e-03 -2.46070497e-03] [ 1.93983747e-03 1.85563377e-03 2.46085520e-03] [ 1.30682281e-04 -1.21148043e-03 4.73513695e-04] [ 1.30800366e-04 1.21145127e-03 -4.73456122e-04] [ 6.61019768e-04 8.42214576e-05 -1.44209460e-03] [-1.93655619e-04 -1.06907732e-03 1.23166346e-03] [ 6.60951122e-04 -8.41611477e-05 1.44213223e-03] [-1.93452902e-04 1.06924229e-03 -1.23180120e-03] [-1.72633290e-03 -7.51543813e-05 -1.99098333e-03] [ 4.05530750e-04 3.56274872e-04 8.75940674e-04] [ 4.05054013e-04 -3.55635852e-04 -8.76301361e-04] [-1.72640550e-03 7.48112766e-05 1.99085718e-03] [-7.35793996e-04 -1.27338069e-04 -9.41192894e-04] [-6.75593733e-04 7.82700391e-04 3.19371665e-04] [-6.76504590e-04 -7.82031293e-04 -3.20292197e-04] [-7.35320375e-04 1.27271023e-04 9.41080978e-04]] Final stress: [-1.34254207e-04 3.36806310e-04 -1.29998009e-04 3.07193879e-05 1.39948793e-10 -1.66006643e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 2.14088363e-03 2.30027831e-04 -1.08566885e-03] [ 1.06821672e-03 1.82930011e-03 -2.63030774e-04] [ 1.07097813e-03 -1.83203529e-03 2.65733101e-04] [ 2.14108399e-03 -2.30142563e-04 1.08549367e-03] [-2.25266132e-03 8.41355121e-04 3.09081875e-03] [-1.13634559e-03 1.49320542e-03 -2.86808609e-03] [-1.13646650e-03 -1.49302606e-03 2.86804463e-03] [-2.25233778e-03 -8.41867019e-04 -3.09134796e-03] [-1.34599598e-04 1.21633389e-03 4.41661963e-04] [-1.34896146e-04 -1.21616714e-03 -4.41408819e-04] [-1.94418858e-03 1.85786378e-03 -2.43118366e-03] [-1.94406128e-03 -1.85786800e-03 2.43121620e-03] [ 1.94480764e-04 -1.07683424e-03 -1.20496674e-03] [-6.82141694e-04 9.50968812e-05 1.48982856e-03] [ 1.94188928e-04 1.07707747e-03 1.20514340e-03] [-6.81665491e-04 -9.47099182e-05 -1.49014289e-03] [-3.83607391e-04 -3.27818206e-04 9.03688578e-04] [ 1.71825187e-03 1.08247685e-04 -2.00044815e-03] [ 1.71721101e-03 -1.07176112e-04 1.99979649e-03] [-3.84087939e-04 3.27522654e-04 -9.03710274e-04] [ 6.71662991e-04 -7.91458267e-04 3.50618248e-04] [ 7.39801244e-04 1.14997982e-04 -9.41593597e-04] [ 7.38258228e-04 -1.13681221e-04 9.39792939e-04] [ 6.72041802e-04 7.91755215e-04 -3.50248734e-04]] Final stress: [-1.33855735e-04 3.34319232e-04 -1.29655586e-04 -3.05534882e-05 3.33180093e-10 -2.26923044e-10] Minimization converged after 106 steps. Minimization converged after 107 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 1.04281065e-03 -2.33471220e-03 -1.64801126e-03] [-3.52349211e-05 -7.50909877e-04 3.15619730e-04] [-1.04405840e-03 -2.33344139e-03 1.64676272e-03] [ 3.57133647e-05 -7.51405268e-04 -3.16074310e-04] [-6.79096063e-04 -1.23884014e-04 7.32501343e-04] [ 4.19395090e-04 4.12378505e-04 -3.73798015e-04] [ 6.79270426e-04 -1.24151079e-04 -7.32282925e-04] [-4.19518151e-04 4.12572682e-04 3.73961177e-04] [-2.06318242e-03 1.45561817e-03 -2.12170720e-03] [ 3.87609101e-03 2.11863643e-03 -8.11106670e-05] [-3.87586665e-03 2.11875800e-03 8.09160200e-05] [ 2.06311841e-03 1.45561391e-03 2.12170528e-03] [-9.47401703e-04 5.77521496e-04 -2.85450041e-03] [ 9.47414492e-04 5.77541805e-04 2.85451784e-03] [ 1.86318385e-03 1.54084567e-03 -1.85676598e-04] [-1.86329941e-03 1.54072543e-03 1.85754270e-04] [-2.53369169e-03 -9.16726051e-04 -4.18792706e-04] [-3.65460522e-04 -4.50216239e-04 -6.19169519e-04] [ 2.53399004e-03 -9.17269926e-04 4.19216651e-04] [ 3.65380793e-04 -4.49844397e-04 6.19202298e-04] [-7.36979863e-04 -1.17893286e-03 6.99158629e-05] [-6.61816594e-04 -3.49598250e-04 -7.13639358e-04] [ 7.37849263e-04 -1.17957236e-03 -6.92730297e-05] [ 6.61389000e-04 -3.49548194e-04 7.13962815e-04]] Final stress: [-1.35188636e-04 3.38566802e-04 -1.29637913e-04 9.39994552e-11 2.93965652e-05 1.58815162e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 3.67698621e-05 7.56219129e-04 2.94156274e-04] [-1.08237861e-03 2.33577512e-03 -1.62649070e-03] [-3.74147251e-05 7.56871183e-04 -2.94816258e-04] [ 1.08200623e-03 2.33614777e-03 1.62688142e-03] [-3.96848523e-04 -3.23862646e-04 -3.18360534e-04] [ 6.71689451e-04 1.38278779e-04 7.49795106e-04] [ 3.96903761e-04 -3.23943211e-04 3.18424152e-04] [-6.71687165e-04 1.38283236e-04 -7.49790516e-04] [ 3.89357887e-03 -2.14385672e-03 5.98417427e-05] [-1.99053015e-03 -1.50821003e-03 2.07124622e-03] [ 1.99066250e-03 -1.50811484e-03 -2.07139514e-03] [-3.89348525e-03 -2.14393875e-03 -5.97139687e-05] [ 1.79924620e-03 -1.60434402e-03 1.23607582e-04] [-1.79929961e-03 -1.60426212e-03 -1.23637455e-04] [-8.62243889e-04 -6.24709763e-04 2.83056449e-03] [ 8.62180148e-04 -6.24800335e-04 -2.83052486e-03] [ 4.09274677e-04 4.67304674e-04 -5.79297082e-04] [ 2.56646685e-03 9.65326596e-04 -4.66693087e-04] [-4.09108295e-04 4.67112242e-04 5.79600567e-04] [-2.56635933e-03 9.65292675e-04 4.66453581e-04] [ 7.11539264e-04 3.62897236e-04 -7.55036919e-04] [ 8.00729834e-04 1.17920317e-03 1.44936404e-04] [-7.11150395e-04 3.62460536e-04 7.55317692e-04] [-8.00541700e-04 1.17887009e-03 -1.45068709e-04]] Final stress: [-1.35800410e-04 3.41792662e-04 -1.30197432e-04 9.66540150e-11 -2.93349079e-05 9.73694448e-12] Minimization converged after 100 steps. Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.00048031 -0.00026903 -0.00214462] [ 0.00047961 0.00026836 -0.00214396] [-0.00151622 -0.00130253 -0.00083314] [ 0.00151721 0.00130157 -0.00083411] [-0.00208015 -0.0016723 0.0012058 ] [ 0.0020801 0.00167221 0.00120594] [-0.00099788 0.00113728 0.00088616] [ 0.00099793 -0.00113737 0.00088603] [ 0.00138831 -0.00047383 -0.00077769] [ 0.00034434 0.00019417 0.00120543] [-0.0013883 0.00047384 -0.0007777 ] [-0.00034442 -0.0001941 0.00120532] [-0.00065739 -0.00351082 0.00042025] [-0.00152448 0.00257792 0.00305389] [ 0.00152427 -0.00257775 0.00305402] [ 0.00065763 0.00351102 0.0004201 ] [-0.00096837 -0.00172182 -0.00126209] [ 0.00096877 0.001722 -0.00126219] [ 0.0011333 0.00122387 -0.00024596] [-0.00113378 -0.00122363 -0.00024569] [ 0.00038017 -0.00113068 -0.00105916] [-0.00037992 0.00113103 -0.00105972] [ 0.00046759 0.00031207 -0.00044878] [-0.00046799 -0.0003115 -0.00044812]] Final stress: [-1.34346444e-04 3.33951739e-04 -1.28924348e-04 -8.24146097e-12 1.71712930e-10 3.06793127e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 0.00149236 -0.00129191 0.00083915] [-0.00149212 0.00129217 0.00083889] [ 0.00042462 -0.00033917 0.00221989] [-0.00042384 0.0003384 0.0022191 ] [ 0.00103903 0.00112847 -0.00086872] [-0.00103908 -0.00112856 -0.00086864] [ 0.00210742 -0.00171609 -0.00110644] [-0.00210744 0.0017161 -0.00110645] [ 0.00023586 -0.00019747 -0.00127855] [ 0.00149817 0.00048782 0.00078338] [-0.00023595 0.00019741 -0.00127845] [-0.00149829 -0.00048772 0.00078322] [ 0.00156829 0.00256316 -0.0030645 ] [ 0.00064623 -0.00352047 -0.00036016] [-0.00064622 0.00352043 -0.00036015] [-0.00156816 -0.00256302 -0.00306458] [-0.00111275 0.00125014 0.00018385] [ 0.00111273 -0.00125018 0.00018405] [ 0.0010183 -0.00169783 0.00118071] [-0.00101858 0.00169802 0.00118103] [-0.00040696 0.00023838 0.00042552] [ 0.00040678 -0.00023862 0.00042553] [-0.00032833 -0.0010827 0.00104595] [ 0.00032793 0.00108324 0.00104636]] Final stress: [-1.34227686e-04 3.32130804e-04 -1.28818649e-04 -1.21489717e-10 7.56499358e-11 -3.04073362e-05] Minimization converged after 57 steps. Minimization converged after 46 steps. Minimization converged after 95 steps. Minimization converged after 94 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.00222198 -0.00045019 -0.00031473] [-0.00084303 -0.00139532 -0.00139678] [-0.0008422 0.00139449 0.0013976 ] [-0.0022222 0.00045045 0.00031496] [ 0.00046123 -0.0006439 -0.00358366] [ 0.00313494 -0.00149615 0.00260076] [ 0.00313487 0.00149626 -0.00260082] [ 0.00046133 0.00064372 0.0035835 ] [ 0.00121884 -0.0021791 -0.00172225] [ 0.00121874 0.00217915 0.00172233] [ 0.00084519 -0.00097999 0.00120026] [ 0.00084527 0.00097997 -0.00120022] [-0.00086254 0.00150035 -0.00041714] [ 0.00110194 0.0002454 0.0002421 ] [-0.00086258 -0.00150031 0.00041717] [ 0.00110206 -0.00024531 -0.00024218] [-0.00116775 -0.00100049 -0.00157862] [-0.0001705 0.00117142 0.00114699] [-0.00017077 -0.00117106 -0.0011472 ] [-0.0011678 0.00100029 0.00157855] [-0.00109696 0.00036431 -0.0010527 ] [-0.00039945 0.00039756 0.00024787] [-0.00039996 -0.00039718 -0.00024838] [-0.00109668 -0.00036436 0.00105263]] Final stress: [-1.30507886e-04 -1.36157069e-04 3.39579125e-04 3.00946230e-05 4.99860150e-11 -1.15964232e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 0.00086609 0.0015468 -0.0012813 ] [ 0.00220269 0.00046595 -0.0002846 ] [ 0.00220403 -0.00046729 0.00028591] [ 0.00086598 -0.00154665 0.00128142] [-0.00304666 0.00164129 0.00257502] [-0.00038003 0.00073538 -0.00352901] [-0.00038012 -0.00073524 0.00352894] [-0.00304649 -0.00164155 -0.00257528] [-0.00082477 0.00098722 0.00115443] [-0.00082492 -0.00098714 -0.00115432] [-0.00110237 0.0021044 -0.00178343] [-0.00110228 -0.00210441 0.00178347] [-0.00133114 0.00027717 -0.00028824] [ 0.00077674 0.00147504 0.00041411] [-0.00133127 -0.00027707 0.00028831] [ 0.00077696 -0.00147487 -0.00041425] [ 0.00016095 -0.00119951 0.00127108] [ 0.00121089 0.00100005 -0.00172746] [ 0.00121041 -0.0009995 0.00172714] [ 0.00016078 0.00119928 -0.00127114] [ 0.00040252 -0.00039264 0.00020407] [ 0.001065 -0.00030657 -0.00107354] [ 0.00106422 0.00030719 0.00107268] [ 0.00040282 0.00039269 -0.00020402]] Final stress: [-1.29070267e-04 -1.34627532e-04 3.36652169e-04 -3.11291358e-05 8.94646728e-11 -1.48285622e-10] Minimization converged after 94 steps. Minimization converged after 95 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-2.17925818e-04 -1.30382780e-03 -1.85931332e-03] [ 1.21779633e-03 -1.93599735e-03 -1.00993722e-04] [ 2.18463799e-04 -1.30438781e-03 1.85982960e-03] [-1.21904409e-03 -1.93471843e-03 1.02246762e-04] [-1.41394074e-03 2.67675207e-04 1.78739219e-04] [ 1.20214755e-03 -4.10711510e-04 -1.21996525e-03] [ 1.41380037e-03 2.67902534e-04 -1.78924600e-04] [-1.20197531e-03 -4.10977055e-04 1.21974892e-03] [-2.94476786e-03 1.12398045e-03 -1.26700961e-03] [ 3.32266952e-03 2.58185651e-03 -7.18723833e-04] [-3.32273114e-03 2.58186342e-03 7.18715533e-04] [ 2.94499950e-03 1.12385495e-03 1.26721074e-03] [-2.45071844e-03 1.91690829e-03 -1.97510700e-03] [ 2.45062318e-03 1.91701084e-03 1.97503972e-03] [ 7.48308932e-04 2.74501453e-04 -1.38511005e-03] [-7.48281034e-04 2.74494210e-04 1.38508373e-03] [-1.50483324e-03 -1.60040147e-03 5.81946159e-05] [-5.16228198e-04 5.26935044e-04 -3.54957060e-04] [ 1.50472751e-03 -1.59999839e-03 -5.82291537e-05] [ 5.16512388e-04 5.26375125e-04 3.54520897e-04] [-9.28972985e-04 -6.70158116e-04 -1.11656504e-04] [-1.24603067e-04 -7.70744314e-04 -6.74432359e-04] [ 9.28500823e-04 -6.70067043e-04 1.11298392e-04] [ 1.25472032e-04 -7.71368755e-04 6.73794339e-04]] Final stress: [-1.32683531e-04 -1.37117090e-04 3.40241209e-04 4.40559327e-11 2.83850287e-05 -1.86848892e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-1.10746876e-03 2.14742595e-03 1.36878984e-04] [ 2.74337393e-04 1.04922173e-03 -1.78879377e-03] [ 1.10761195e-03 2.14726020e-03 -1.36790759e-04] [-2.76766804e-04 1.05170377e-03 1.79125340e-03] [-1.15277061e-03 2.99752287e-04 -1.08541781e-03] [ 1.60767972e-03 -6.11996534e-04 8.92399991e-05] [ 1.15260876e-03 3.00021098e-04 1.08519482e-03] [-1.60740403e-03 -6.12411529e-04 -8.95786324e-05] [ 3.08491149e-03 -2.25734725e-03 7.88455043e-04] [-2.80290009e-03 -1.22166043e-03 1.30293655e-03] [ 2.80294771e-03 -1.22154433e-03 -1.30311213e-03] [-3.08442654e-03 -2.25764553e-03 -7.87980325e-04] [ 3.50506820e-04 -1.91561778e-04 1.21565614e-03] [-3.50725944e-04 -1.91300430e-04 -1.21580141e-03] [-2.26782824e-03 -2.06614307e-03 1.81682895e-03] [ 2.26780804e-03 -2.06625190e-03 -1.81682991e-03] [ 9.43715577e-04 -3.06715659e-04 -2.50887350e-04] [ 1.98552932e-03 1.72447471e-03 -2.19793264e-04] [-9.43701039e-04 -3.06289218e-04 2.51171844e-04] [-1.98495143e-03 1.72354370e-03 2.18813196e-04] [ 4.68818922e-04 6.78694883e-04 -8.54808394e-04] [ 9.94873307e-04 7.55902212e-04 -8.19410592e-07] [-4.69145914e-04 6.78350967e-04 8.54542426e-04] [-9.93259611e-04 7.54516153e-04 -3.58196277e-07]] Final stress: [-1.29989589e-04 -1.34304086e-04 3.33750939e-04 1.74651780e-10 -2.98479801e-05 -3.01166557e-10] Minimization converged after 104 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-1.57709345e-03 9.92375363e-04 -2.46817174e-03] [ 1.57759019e-03 -9.91870409e-04 -2.46868834e-03] [-7.31764900e-05 1.67328414e-04 -7.06165364e-04] [ 7.37403706e-05 -1.67898638e-04 -7.06748151e-04] [-3.00141122e-03 -7.14236743e-04 5.69866962e-04] [ 3.00137314e-03 7.14181212e-04 5.69911851e-04] [-1.26169460e-04 1.76606249e-03 1.58374175e-03] [ 1.26142174e-04 -1.76602622e-03 1.58376742e-03] [ 8.45092193e-04 -7.68603597e-04 -1.18828233e-04] [-6.15525365e-04 1.55223109e-04 3.31026644e-04] [-8.45200837e-04 7.68519164e-04 -1.18699423e-04] [ 6.15405120e-04 -1.55129074e-04 3.30881807e-04] [-1.94913800e-03 -1.96585705e-03 1.46354408e-03] [ 8.35178571e-05 3.83907294e-03 2.08832665e-03] [-8.34528926e-05 -3.83916384e-03 2.08828931e-03] [ 1.94920658e-03 1.96595337e-03 1.46350230e-03] [-5.66779279e-04 -2.49044979e-03 -8.33854043e-04] [ 5.66642110e-04 2.49034506e-03 -8.33584402e-04] [ 3.49097818e-04 4.43674058e-04 -4.11361123e-04] [-3.49254115e-04 -4.43542148e-04 -4.11076283e-04] [ 1.60103093e-04 -7.59719943e-04 -1.15165831e-03] [-1.60390061e-04 7.59334706e-04 -1.15146776e-03] [ 6.81083304e-04 6.83209236e-04 -3.46400121e-04] [-6.81402772e-04 -6.82781670e-04 -3.46155471e-04]] Final stress: [-1.29136088e-04 -1.34373945e-04 3.28898040e-04 -1.16512516e-10 2.26481930e-11 2.77212628e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 3.25175005e-04 5.02036656e-05 7.55280942e-04] [-3.25704868e-04 -5.07204131e-05 7.55801620e-04] [ 1.64982555e-03 1.05196750e-03 2.31842154e-03] [-1.64943062e-03 -1.05234656e-03 2.31803943e-03] [ 1.71288395e-04 1.84400029e-03 -1.54847332e-03] [-1.71309733e-04 -1.84403587e-03 -1.54840898e-03] [ 2.84435388e-03 -9.19508625e-04 -5.89493948e-04] [-2.84430694e-03 9.19427957e-04 -5.89590547e-04] [-3.58192965e-04 -3.93087515e-04 -4.15453089e-04] [ 7.15825677e-04 6.78067071e-04 1.10881272e-04] [ 3.58225414e-04 3.93117957e-04 -4.15490945e-04] [-7.15855139e-04 -6.78039520e-04 1.10838006e-04] [ 7.69241463e-05 3.86980841e-03 -2.11188537e-03] [ 2.11730670e-03 -2.04363527e-03 -1.45202029e-03] [-2.11744462e-03 2.04375245e-03 -1.45193274e-03] [-7.68349720e-05 -3.86973726e-03 -2.11194570e-03] [-6.08023820e-04 3.98220174e-04 4.60113942e-04] [ 6.08285787e-04 -3.98077584e-04 4.60000774e-04] [ 4.31991596e-04 -2.55137466e-03 9.41556969e-04] [-4.32189008e-04 2.55148428e-03 9.41644578e-04] [-7.18736283e-04 6.75938244e-04 3.50687300e-04] [ 7.18967050e-04 -6.75622645e-04 3.50308894e-04] [-9.65178830e-05 -7.62839728e-04 1.18040709e-03] [ 9.63776595e-05 7.63037631e-04 1.18071258e-03]] Final stress: [-1.29449774e-04 -1.34965622e-04 3.37945632e-04 6.36401788e-11 1.05804451e-10 -2.94614855e-05] Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.03164135 0.00748699 0.03534894] [-0.03164116 -0.0074868 0.03534876] [-0.03164162 0.00748725 -0.03534921] [ 0.03164147 -0.00748712 -0.03534907] [ 0.04463954 0.0757852 0.08358549] [-0.04463938 -0.07578487 0.08358525] [-0.04463933 0.0757848 -0.08358522] [ 0.04463951 -0.07578515 -0.08358544] [ 0.00714613 0.0139485 0.05300704] [ 0.00714621 -0.01394853 -0.05300711] [-0.00714613 -0.0139485 0.05300705] [-0.00714607 0.01394844 -0.05300694] [ 0.011903 0.01270533 0.00744068] [-0.01190314 0.01270543 -0.00744073] [ 0.01190332 -0.01270557 -0.00744084] [-0.01190332 -0.01270558 0.00744085] [-0.01936957 -0.08661555 -0.00132953] [ 0.01936932 0.08661572 -0.00132931] [ 0.01936954 -0.08661581 0.00132943] [-0.0193695 0.08661585 0.00132959] [ 0.01375312 0.08190081 0.05615855] [-0.01375317 -0.0819006 0.05615882] [-0.01375306 0.08190044 -0.05615842] [ 0.01375295 -0.0819007 -0.05615862]] Final stress: [ 3.72057320e-03 -1.13840374e-03 -4.03494756e-04 5.21260054e-10 9.88852424e-11 -2.56693417e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.12954271 0.43161822 0.24298066] [-0.12950424 -0.43157557 0.24294108] [-0.12953588 0.43161071 -0.24297249] [ 0.12954373 -0.43162061 -0.24298239] [ 0.52580458 1.01441811 0.80818662] [-0.52580326 -1.01441604 0.80818389] [-0.52580338 1.01441864 -0.80818788] [ 0.52580347 -1.01441809 -0.80818285] [ 0.6850126 0.37969689 0.81359297] [ 0.68501968 -0.37970288 -0.81360033] [-0.68502053 -0.37970373 0.81360271] [-0.68502655 0.37970635 -0.81360714] [ 0.82451364 0.64925451 0.59496349] [-0.82450628 0.64924992 -0.59496096] [ 0.82451251 -0.64925467 -0.59496403] [-0.82451686 -0.64925678 0.59496725] [-0.14482777 0.27941373 0.36717359] [ 0.14481538 -0.27942354 0.36719196] [ 0.14482635 0.27941642 -0.36718086] [-0.14482262 -0.27941454 -0.36716735] [ 0.1473227 0.38626283 0.59371502] [-0.14734444 -0.38628814 0.59373446] [-0.14732029 0.3862688 -0.59371062] [ 0.14731477 -0.38626056 -0.59371679]] Final stress: [-1.72622700e-03 -5.52364420e-03 2.13308775e-02 1.72544861e-08 8.57194096e-09 4.96275837e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.50334111e-04 1.00695044e-03 1.01859622e-04] [ 2.50311710e-04 -1.00697246e-03 1.01881907e-04] [ 2.50346567e-04 1.00693751e-03 -1.01847615e-04] [-2.50342963e-04 -1.00694052e-03 -1.01850668e-04] [ 8.69810330e-04 8.68059440e-04 4.29134890e-04] [-8.69810320e-04 -8.68059503e-04 4.29135977e-04] [-8.69812525e-04 8.68062716e-04 -4.29137789e-04] [ 8.69814960e-04 -8.68066733e-04 -4.29141844e-04] [ 9.82175361e-04 2.55624672e-04 -2.18927508e-05] [ 9.82171275e-04 -2.55622571e-04 2.18960381e-05] [-9.82173925e-04 -2.55623295e-04 -2.18942841e-05] [-9.82171769e-04 2.55623089e-04 2.18947696e-05] [ 1.35310862e-03 4.74217623e-04 7.26336749e-04] [-1.35311200e-03 4.74220906e-04 -7.26339016e-04] [ 1.35310694e-03 -4.74216079e-04 -7.26335870e-04] [-1.35310716e-03 -4.74216868e-04 7.26335731e-04] [-3.51449418e-04 -4.82188149e-04 -5.56691769e-04] [ 3.51459572e-04 4.82194383e-04 -5.56697353e-04] [ 3.51447930e-04 -4.82179265e-04 5.56688790e-04] [-3.51450438e-04 4.82180106e-04 5.56688483e-04] [ 9.88915090e-04 -5.86312138e-04 1.44355058e-03] [-9.88904346e-04 5.86326680e-04 1.44353562e-03] [-9.88925434e-04 -5.86310110e-04 -1.44355749e-03] [ 9.88926054e-04 5.86310132e-04 -1.44355271e-03]] Final stress: [-2.18814509e-04 2.51403208e-04 1.14058112e-05 7.64085648e-12 3.21674370e-12 -5.96055255e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 7.96870329e-04 -3.89763292e-04 5.37321543e-04] [-7.96844795e-04 3.89788432e-04 5.37295907e-04] [-7.96868920e-04 -3.89764627e-04 -5.37319511e-04] [ 7.96865418e-04 3.89767371e-04 -5.37316860e-04] [ 1.63453332e-04 3.62202294e-04 7.97658230e-04] [-1.63452987e-04 -3.62201448e-04 7.97656219e-04] [-1.63452011e-04 3.62200061e-04 -7.97656297e-04] [ 1.63450258e-04 -3.62197208e-04 -7.97653081e-04] [ 3.58981696e-04 1.21903266e-03 1.77997513e-03] [ 3.58984277e-04 -1.21903405e-03 -1.77997724e-03] [-3.58984188e-04 -1.21903464e-03 1.77997789e-03] [-3.58987388e-04 1.21903618e-03 -1.77998118e-03] [ 3.93207180e-04 1.01063191e-03 5.10862376e-04] [-3.93205400e-04 1.01062961e-03 -5.10861210e-04] [ 3.93212085e-04 -1.01063570e-03 -5.10865260e-04] [-3.93210386e-04 -1.01063354e-03 5.10864380e-04] [-5.07087407e-04 -2.81121834e-04 -3.90086913e-04] [ 5.07075615e-04 2.81116026e-04 -3.90078802e-04] [ 5.07085198e-04 -2.81125061e-04 3.90083943e-04] [-5.07079160e-04 2.81123580e-04 3.90087986e-04] [ 5.71288427e-04 1.29059240e-03 -5.19676868e-05] [-5.71299607e-04 -1.29060951e-03 -5.19535127e-05] [-5.71287433e-04 1.29059810e-03 5.19699114e-05] [ 5.71285868e-04 -1.29059772e-03 5.19640477e-05]] Final stress: [ 2.43386262e-04 -2.11084307e-04 1.09156921e-05 -1.36464185e-12 3.22456224e-12 -2.82457842e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 2.21493485e-04 1.76819823e-05 -1.18489557e-04] [-2.21494291e-04 -1.76829746e-05 -1.18488444e-04] [-2.21504711e-04 1.76934326e-05 1.18478200e-04] [ 2.21497252e-04 -1.76860256e-05 1.18485792e-04] [-1.51679781e-04 -4.23913504e-04 7.76713214e-05] [ 1.51679307e-04 4.23912393e-04 7.76718572e-05] [ 1.51680512e-04 -4.23914337e-04 -7.76706333e-05] [-1.51681096e-04 4.23915511e-04 -7.76694009e-05] [-1.31881439e-05 7.67139079e-05 3.47310736e-04] [-1.31869525e-05 -7.67144363e-05 -3.47311462e-04] [ 1.31899041e-05 -7.67126097e-05 3.47308332e-04] [ 1.31886233e-05 7.67131262e-05 -3.47309267e-04] [ 1.10103820e-04 1.39490365e-04 7.54438576e-05] [-1.10103407e-04 1.39490417e-04 -7.54435226e-05] [ 1.10104603e-04 -1.39490929e-04 -7.54442548e-05] [-1.10104723e-04 -1.39491486e-04 7.54444438e-05] [-4.53154771e-04 1.44844892e-04 8.62099808e-06] [ 4.53153181e-04 -1.44845267e-04 8.61779153e-06] [ 4.53156668e-04 1.44840668e-04 -8.61510105e-06] [-4.53154179e-04 -1.44841795e-04 -8.61968101e-06] [-2.60211158e-04 -8.69210883e-05 7.95280121e-04] [ 2.60212258e-04 8.69220371e-05 7.95281235e-04] [ 2.60218687e-04 -8.69264024e-05 -7.95275003e-04] [-2.60215086e-04 8.69221218e-05 -7.95278359e-04]] Final stress: [ 1.94313251e-05 1.90552623e-05 -6.65039222e-05 -3.02240032e-12 2.07538973e-13 2.72835446e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[ 0.17689024 0.08592425 0.04200432] [-0.1768871 -0.0859221 0.0420025 ] [-0.17687277 0.0859053 -0.04198894] [ 0.17685362 -0.08588687 -0.04197046] [ 0.23266329 0.46220996 0.43625469] [-0.23266023 -0.46220537 0.43625064] [-0.23266468 0.46221483 -0.43626106] [ 0.23266693 -0.46221887 -0.4362623 ] [ 0.28242992 0.26567677 0.54538765] [ 0.28242699 -0.26567773 -0.54538743] [-0.28242956 -0.26567769 0.54539015] [-0.28242991 0.26567771 -0.54538893] [ 0.44070982 0.34396452 0.116546 ] [-0.44071465 0.34396935 -0.11654551] [ 0.44071432 -0.34396826 -0.11654674] [-0.44071681 -0.34397268 0.11655233] [ 0.17348085 -0.10537844 0.15075814] [-0.1734836 0.10537843 0.15075894] [-0.17347939 -0.10536323 -0.15076288] [ 0.17349142 0.10535993 -0.15076393] [ 0.25887636 0.03570315 0.21753235] [-0.25887581 -0.03569955 0.21753408] [-0.25888772 0.03570131 -0.2175393 ] [ 0.25889848 -0.03571471 -0.21755432]] Final stress: [ 7.98692817e-04 4.59329421e-02 3.91991470e-03 -2.69939851e-08 -2.78676160e-08 2.42084887e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-4.80646895e-04 5.73982268e-04 7.94485145e-04] [ 4.80649544e-04 -5.73978607e-04 7.94481000e-04] [ 4.80692752e-04 5.73935349e-04 -7.94438498e-04] [-4.80648149e-04 -5.73979636e-04 -7.94483488e-04] [ 1.23653152e-03 1.80809277e-03 2.34410632e-04] [-1.23653335e-03 -1.80809510e-03 2.34414244e-04] [-1.23653648e-03 1.80810023e-03 -2.34416534e-04] [ 1.23653783e-03 -1.80810325e-03 -2.34420488e-04] [ 9.59275240e-04 5.42128871e-04 2.60694329e-04] [ 9.59271305e-04 -5.42127035e-04 -2.60691823e-04] [-9.59279878e-04 -5.42132292e-04 2.60700105e-04] [-9.59279698e-04 5.42133488e-04 -2.60702236e-04] [ 3.04167691e-04 7.69354588e-04 1.33687194e-04] [-3.04166191e-04 7.69351497e-04 -1.33686565e-04] [ 3.04162633e-04 -7.69350554e-04 -1.33684178e-04] [-3.04159267e-04 -7.69345907e-04 1.33681853e-04] [-3.42840599e-04 -4.71019702e-04 -5.96673594e-04] [ 3.42845157e-04 4.71020686e-04 -5.96663150e-04] [ 3.42829276e-04 -4.71001893e-04 5.96654490e-04] [-3.42845232e-04 4.71011355e-04 5.96673789e-04] [ 1.44644437e-03 -9.56374078e-05 5.47962116e-04] [-1.44644999e-03 9.56317072e-05 5.47954474e-04] [-1.44647442e-03 -9.56118712e-05 -5.47981731e-04] [ 1.44645283e-03 9.56404463e-05 -5.47957088e-04]] Final stress: [-2.15024511e-04 1.13221235e-05 2.47412797e-04 2.55104312e-12 4.80597754e-12 -2.88118258e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00100266 0.00019567 -0.00018358] [-0.00100265 -0.00019567 -0.00018359] [-0.00100267 0.00019569 0.00018357] [ 0.00100264 -0.00019566 0.0001836 ] [ 0.0003493 0.00027912 0.00111781] [-0.0003493 -0.00027911 0.00111781] [-0.0003493 0.00027912 -0.00111781] [ 0.0003493 -0.00027912 -0.00111781] [ 0.00063387 0.000821 0.00149215] [ 0.00063387 -0.000821 -0.00149215] [-0.00063387 -0.000821 0.00149215] [-0.00063387 0.000821 -0.00149215] [ 0.00096633 0.00054101 0.00086043] [-0.00096633 0.00054101 -0.00086043] [ 0.00096633 -0.00054101 -0.00086043] [-0.00096634 -0.00054102 0.00086043] [-0.00035068 -0.00054991 -0.00028561] [ 0.00035067 0.00054991 -0.00028561] [ 0.00035068 -0.00054991 0.00028562] [-0.00035067 0.0005499 0.00028561] [-0.00052478 0.00142177 0.00100985] [ 0.00052478 -0.00142177 0.00100986] [ 0.00052479 0.00142176 -0.00100985] [-0.00052477 -0.00142178 -0.00100987]] Final stress: [ 2.49483618e-04 1.04433760e-05 -2.16202727e-04 6.42001366e-12 -1.08190728e-12 8.90336959e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.79789639e-05 -1.16665807e-04 2.21203431e-04] [-1.79819774e-05 1.16662904e-04 2.21206263e-04] [-1.79748965e-05 -1.16669981e-04 -2.21199364e-04] [ 1.79769654e-05 1.16668083e-04 -2.21201281e-04] [ 7.88606866e-05 3.50358886e-04 -1.46103162e-05] [-7.88598815e-05 -3.50357390e-04 -1.46111615e-05] [-7.88607748e-05 3.50358742e-04 1.46102126e-05] [ 7.88606568e-05 -3.50358568e-04 1.46100733e-05] [ 1.41706151e-04 7.39630618e-05 1.12389172e-04] [ 1.41705769e-04 -7.39630448e-05 -1.12389220e-04] [-1.41707220e-04 -7.39638383e-05 1.12390830e-04] [-1.41705485e-04 7.39628556e-05 -1.12388886e-04] [-4.17571982e-04 8.22952070e-05 -1.50096751e-04] [ 4.17569431e-04 8.22969733e-05 1.50095332e-04] [-4.17572399e-04 -8.22948807e-05 1.50096948e-04] [ 4.17573353e-04 -8.22942450e-05 -1.50097490e-04] [ 1.47937625e-04 1.07969012e-05 -4.54804467e-04] [-1.47934068e-04 -1.07971592e-05 -4.54804131e-04] [-1.47938406e-04 1.07980969e-05 4.54802353e-04] [ 1.47936069e-04 -1.07985821e-05 4.54803374e-04] [-9.04265455e-05 7.94337018e-04 -2.61824724e-04] [ 9.04276166e-05 -7.94335459e-04 -2.61826606e-04] [ 9.04231039e-05 7.94338699e-04 2.61822778e-04] [-9.04227545e-05 -7.94338472e-04 2.61823630e-04]] Final stress: [ 1.89851639e-05 -6.64076131e-05 1.93546028e-05 2.51462514e-12 -3.05592468e-12 -4.44739408e-12] Minimization converged after 108 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 43 steps. Final forces: [[ 6.07638161e-03 1.22315076e-03 2.92473915e-03] [-1.15464431e-02 7.17313702e-03 4.54832006e-03] [-1.53862095e-02 -3.37999112e-03 -8.25585240e-03] [ 6.02347454e-03 -1.28395265e-03 -2.89932819e-03] [ 5.80158275e-03 -2.35078950e-03 -1.09634190e-03] [-2.98821255e-03 9.00010555e-03 -4.18233500e-03] [-2.83174714e-03 -9.21671936e-03 4.24057456e-03] [ 5.35304665e-03 3.03487815e-03 1.82257116e-03] [-6.36014154e-04 8.50206065e-03 -5.37661868e-03] [-1.74127026e-04 -8.76684074e-03 4.96598385e-03] [-8.12912345e-04 -1.33084829e-02 -3.07652390e-03] [-1.02871202e-03 1.33393503e-02 2.99264777e-03] [-4.78806321e-03 -8.48370228e-04 1.26509962e-03] [ 8.80473633e-03 4.12297688e-03 -1.88737956e-03] [-4.49688028e-03 5.97465510e-04 -1.44304204e-03] [ 8.16437713e-03 -4.63011017e-03 2.30225309e-03] [-4.79662205e-04 -2.48245840e-03 4.74479706e-03] [-1.49541731e-03 -1.84021565e-03 2.67632747e-03] [-1.35725810e-04 3.29200145e-04 -1.74532436e-03] [ 7.31763678e-05 2.90113045e-03 -4.63374326e-03] [ 8.30067547e-03 4.16355975e-03 -4.27395638e-03] [-5.84315818e-03 -9.94407925e-03 5.86370650e-03] [-3.60769535e-03 8.12361618e-03 -3.38994650e-03] [ 7.65352933e-03 -4.45862138e-03 3.91337188e-03]] Final stress: [-1.20506234e-03 1.40809908e-03 -2.95414638e-04 -1.81912714e-06 -6.68941030e-07 4.10209616e-07] Minimization converged after 76 steps. Minimization converged after 76 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[ 5.91249681e-03 -3.21169361e-03 -3.23656460e-03] [-1.12899936e-02 6.63334857e-03 8.66030717e-03] [-1.76017985e-02 8.58318520e-03 -8.38452189e-03] [ 1.22123630e-02 5.61102048e-03 -9.30843269e-03] [ 2.11958102e-03 -1.33879456e-02 -1.98620512e-03] [-6.72744231e-03 4.77205824e-03 -4.53952184e-03] [-7.64246813e-04 -1.53612079e-02 3.66222241e-03] [ 6.00839749e-03 5.91140830e-03 5.55157068e-03] [ 2.95381699e-03 1.18614317e-02 -6.52571245e-03] [ 3.30636564e-03 -1.36338079e-02 -4.69622277e-04] [-9.78325096e-04 -1.21925630e-02 -1.84437466e-03] [-2.81484841e-03 1.13442568e-02 7.28342640e-03] [-3.61191014e-03 7.01991574e-03 5.37030343e-03] [ 3.50571579e-03 7.53366775e-03 -5.35933347e-03] [-7.04954732e-03 -1.84105884e-03 -2.18490644e-03] [ 5.87646810e-03 -3.14353706e-03 2.91517600e-03] [-7.81787876e-04 5.28166099e-03 7.43259959e-03] [ 1.67141567e-03 -2.11800005e-03 -2.63157275e-03] [ 3.51498720e-03 7.81976656e-04 -2.89258361e-03] [-1.62749046e-03 -6.67246768e-05 1.47719798e-03] [ 1.65922091e-02 7.39348966e-03 5.16410363e-03] [-6.29958403e-03 -8.52361416e-03 -5.78496016e-04] [-8.73315137e-03 8.22249537e-04 4.65237599e-04] [ 4.60630911e-03 -1.00695167e-02 1.95970291e-03]] Final stress: [-9.68253431e-04 1.54562146e-03 -4.30022719e-04 7.24074582e-07 -4.00984107e-05 1.13335901e-06] Minimization converged after 101 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 107 steps. Minimization converged after 98 steps. Minimization converged after 76 steps. Minimization converged after 74 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.03409609 0.03327838 0.00919517] [-0.03409621 -0.03327852 0.00919533] [-0.03409644 0.03327872 -0.00919551] [ 0.03409599 -0.03327827 -0.00919506] [ 0.00612872 0.01273047 0.01312676] [-0.00612901 -0.01273105 0.01312717] [-0.00612907 0.01273119 -0.01312728] [ 0.00612883 -0.01273069 -0.0131269 ] [ 0.08283087 0.04782918 0.08250261] [ 0.0828313 -0.04782949 -0.0825032 ] [-0.0828309 -0.04782919 0.08250263] [-0.08283104 0.04782929 -0.0825028 ] [ 0.0546348 0.00743801 0.01885133] [-0.05463484 0.00743807 -0.01885135] [ 0.05463528 -0.00743836 -0.01885158] [-0.05463475 -0.00743801 0.01885132] [-0.00363921 -0.02360934 -0.09265069] [ 0.0036392 0.02360945 -0.09265118] [ 0.00363897 -0.02360937 0.09265163] [-0.00363888 0.02360948 0.09265091] [ 0.06314827 0.01708473 0.08586884] [-0.06314813 -0.01708487 0.08586905] [-0.06314823 0.0170849 -0.08586843] [ 0.0631484 -0.01708472 -0.08586877]] Final stress: [-4.84307030e-04 3.86642243e-03 -1.22748695e-03 -8.77436462e-10 -3.49428847e-10 -7.52884707e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00064306 0.00081261 0.00072314] [-0.00064303 -0.00081259 0.00072312] [-0.00064301 0.00081257 -0.0007231 ] [ 0.0006429 -0.00081245 -0.00072298] [ 0.00136919 0.00239835 0.00171413] [-0.00136917 -0.00239832 0.00171411] [-0.00136919 0.00239834 -0.00171413] [ 0.00136919 -0.00239835 -0.00171413] [ 0.00156461 0.0013187 0.00236233] [ 0.00156459 -0.00131869 -0.00236231] [-0.00156462 -0.0013187 0.00236234] [-0.00156459 0.00131869 -0.00236231] [ 0.00236202 0.00166389 0.00107303] [-0.00236206 0.00166392 -0.00107305] [ 0.00236206 -0.00166392 -0.00107305] [-0.00236205 -0.00166392 0.00107305] [ 0.00061927 0.00036443 0.00038984] [-0.00061928 -0.00036444 0.00038985] [-0.00061927 0.00036445 -0.00038987] [ 0.00061932 -0.00036448 -0.00038989] [ 0.00090926 0.00070918 0.00097857] [-0.00090925 -0.00070918 0.00097859] [-0.0009093 0.00070919 -0.0009786 ] [ 0.00090936 -0.00070927 -0.00097868]] Final stress: [ 1.09733280e-04 -5.19651527e-05 -5.16945824e-05 6.09642475e-11 -2.34314080e-11 -5.44544045e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00013252 -0.0002208 0.00102792] [-0.0001325 0.00022082 0.0010279 ] [-0.00013251 -0.00022082 -0.0010279 ] [ 0.00013253 0.00022079 -0.00102793] [ 0.00077947 0.00146175 0.00053756] [-0.00077947 -0.00146176 0.00053756] [-0.00077947 0.00146176 -0.00053756] [ 0.00077947 -0.00146175 -0.00053756] [ 0.00046957 0.00088835 0.00093004] [ 0.00046958 -0.00088836 -0.00093004] [-0.00046958 -0.00088836 0.00093004] [-0.00046958 0.00088836 -0.00093005] [ 0.00011291 0.00105311 0.00031324] [-0.00011291 0.0010531 -0.00031324] [ 0.00011291 -0.00105311 -0.00031324] [-0.00011291 -0.00105311 0.00031324] [-0.00057223 -0.00034617 -0.00045981] [ 0.00057223 0.00034617 -0.0004598 ] [ 0.00057223 -0.00034617 0.0004598 ] [-0.00057223 0.00034617 0.00045982] [ 0.00147594 0.00104417 -0.00057965] [-0.00147596 -0.00104418 -0.00057964] [-0.00147595 0.00104418 0.00057964] [ 0.00147594 -0.00104416 0.00057965]] Final stress: [ 1.08000780e-05 -2.19114119e-04 2.51976802e-04 -3.60897183e-12 2.55083800e-12 5.38679135e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.78884773e-04 8.01000515e-04 -4.75562081e-04] [-5.78891018e-04 -8.01007481e-04 -4.75554528e-04] [-5.78870485e-04 8.00985543e-04 4.75575152e-04] [ 5.78834829e-04 -8.00950405e-04 4.75611001e-04] [ 5.42335803e-04 2.63321224e-04 9.61669017e-04] [-5.42335552e-04 -2.63321627e-04 9.61667869e-04] [-5.42341569e-04 2.63330797e-04 -9.61676835e-04] [ 5.42341668e-04 -2.63330324e-04 -9.61675513e-04] [ 7.69210352e-04 1.34632413e-04 3.05935896e-04] [ 7.69203938e-04 -1.34629871e-04 -3.05931238e-04] [-7.69205423e-04 -1.34628746e-04 3.05929660e-04] [-7.69198307e-04 1.34625276e-04 -3.05924029e-04] [ 1.81056860e-03 2.36287194e-04 1.23867429e-03] [-1.81057239e-03 2.36291960e-04 -1.23867706e-03] [ 1.81057749e-03 -2.36294072e-04 -1.23867991e-03] [-1.81057551e-03 -2.36294282e-04 1.23867846e-03] [-4.76239206e-04 -6.00908644e-04 -3.45691250e-04] [ 4.76234783e-04 6.00911095e-04 -3.45700960e-04] [ 4.76236986e-04 -6.00895089e-04 3.45694475e-04] [-4.76222607e-04 6.00888469e-04 3.45678053e-04] [-9.43319905e-05 5.49163672e-04 1.44803419e-03] [ 9.43385180e-05 -5.49156066e-04 1.44803675e-03] [ 9.43167305e-05 5.49163111e-04 -1.44804627e-03] [-9.43004108e-05 -5.49184661e-04 -1.44806515e-03]] Final stress: [ 1.13286639e-05 2.47487391e-04 -2.15047099e-04 2.53981671e-13 -1.60428962e-13 -6.00393139e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.20990889e-04 2.19666242e-04 1.20663226e-05] [ 1.20980711e-04 -2.19676343e-04 1.20766182e-05] [ 1.20990582e-04 2.19666488e-04 -1.20669550e-05] [-1.20993083e-04 -2.19663729e-04 -1.20640659e-05] [ 7.57010422e-05 1.10912511e-04 1.34083309e-04] [-7.57011233e-05 -1.10912784e-04 1.34083899e-04] [-7.57019488e-05 1.10914062e-04 -1.34084676e-04] [ 7.57019900e-05 -1.10913900e-04 -1.34084904e-04] [ 7.87793904e-05 -1.46008460e-04 -4.21834095e-04] [ 7.87786883e-05 1.46008668e-04 4.21834291e-04] [-7.87779155e-05 1.46009714e-04 -4.21835998e-04] [-7.87767782e-05 -1.46010167e-04 4.21836871e-04] [ 3.42512091e-04 -1.38396883e-05 7.19341852e-05] [-3.42513187e-04 -1.38383395e-05 -7.19349146e-05] [ 3.42510612e-04 1.38408536e-05 -7.19334254e-05] [-3.42510578e-04 1.38402204e-05 7.19333370e-05] [-2.25150478e-06 -4.64544634e-04 1.25569353e-04] [ 2.25593560e-06 4.64546153e-04 1.25564687e-04] [ 2.25162027e-06 -4.64542579e-04 -1.25566861e-04] [-2.25292774e-06 4.64541924e-04 -1.25570426e-04] [ 7.88857173e-04 -2.65682774e-04 -8.46717610e-05] [-7.88852608e-04 2.65689276e-04 -8.46766973e-05] [-7.88858055e-04 -2.65684701e-04 8.46707388e-05] [ 7.88860764e-04 2.65681989e-04 8.46711681e-05]] Final stress: [-6.59875942e-05 1.98940226e-05 1.95101381e-05 -1.13389310e-12 -1.97326393e-12 -2.05677273e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[ 0.01377383 0.01215852 0.00477503] [-0.00189807 -0.01384649 -0.00248202] [ 0.00256083 0.00915075 0.00694527] [ 0.00779743 -0.00597629 0.00117626] [ 0.00141227 -0.00879955 0.00103121] [-0.00390781 0.00382951 0.00600071] [-0.00481833 -0.0023729 -0.00722956] [ 0.00224852 0.00747568 -0.0020406 ] [-0.00386512 0.00520335 -0.00798745] [-0.0047167 -0.00486546 0.00853353] [ 0.0035505 -0.00342044 -0.00724593] [ 0.00446258 0.00301819 0.00786322] [-0.00763121 0.00355255 0.01004339] [ 0.00091143 -0.00016044 -0.01248822] [-0.00701315 -0.00403051 -0.01047617] [ 0.00104043 0.00025439 0.01235821] [ 0.00290005 -0.00072142 -0.00053189] [-0.00028017 0.00467324 0.00201465] [-0.00098596 -0.0020618 -0.00331134] [ 0.00445915 -0.00222879 -0.0010976 ] [-0.00391057 0.00930913 0.00735811] [-0.00136793 -0.00407196 0.00196945] [-0.00501649 0.00582845 -0.00434037] [ 0.00029449 -0.01189773 -0.01083788]] Final stress: [-3.96927033e-04 -9.59229601e-04 1.41310321e-03 -3.00651836e-05 -2.88599226e-08 -1.60315108e-06] Minimization converged after 95 steps. Minimization converged after 77 steps. Minimization converged after 76 steps. Minimization converged after 104 steps. Minimization converged after 107 steps. Minimization converged after 77 steps. Minimization converged after 75 steps. Minimization converged after 97 steps. Minimization converged after 95 steps. Minimization converged after 76 steps. Minimization converged after 76 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00666358 0.02451615 0.02428672] [-0.00666392 -0.02451651 0.02428707] [-0.00666393 0.02451653 -0.02428708] [ 0.00666409 -0.02451668 -0.02428723] [ 0.01272912 0.03872578 0.00571619] [-0.01272917 -0.03872588 0.00571628] [-0.01272918 0.03872592 -0.00571629] [ 0.01272904 -0.03872563 -0.0057161 ] [ 0.00983695 0.00649637 0.00952637] [ 0.00983705 -0.00649643 -0.00952649] [-0.00983716 -0.00649652 0.00952667] [-0.009837 0.00649641 -0.00952642] [ 0.05477405 0.06039264 0.03231121] [-0.05477421 0.06039276 -0.0323113 ] [ 0.05477414 -0.0603927 -0.03231125] [-0.05477413 -0.06039271 0.03231126] [-0.06399499 -0.00246521 -0.0167769 ] [ 0.06399542 0.00246525 -0.01677706] [ 0.06399524 -0.00246536 0.01677706] [-0.06399531 0.00246554 0.01677703] [ 0.06125061 0.04313328 0.01229529] [-0.06125029 -0.04313323 0.01229521] [-0.06125034 0.04313324 -0.0122951 ] [ 0.06125035 -0.04313302 -0.01229516]] Final stress: [-9.07386531e-04 -3.63439938e-04 2.97352650e-03 -3.11138260e-10 -9.22279524e-11 2.99516836e-11] Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 73 steps. Minimization converged after 73 steps. Minimization converged after 106 steps. Minimization converged after 103 steps. Minimization converged after 73 steps. Minimization converged after 75 steps. Minimization converged after 109 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 43 steps. Final forces: [[-2.55264194e-05 1.72006132e-03 4.79097771e-03] [-2.74765463e-03 -4.39273815e-03 7.54287686e-03] [ 5.84189468e-03 5.63860548e-03 -1.25454530e-02] [-4.08350395e-03 -7.29446090e-03 -1.42415223e-02] [ 8.47373504e-03 -5.62671324e-03 -6.09841996e-04] [-8.56835762e-03 5.46888030e-03 -3.07496486e-04] [-1.30497617e-02 -3.86584396e-03 -8.09578367e-04] [ 1.32494231e-02 3.53994942e-03 -1.23424640e-03] [-9.20285105e-04 1.05242378e-03 -5.54708072e-03] [ 4.10739201e-03 -1.62456052e-03 9.47811384e-03] [ 1.10857219e-03 -8.82054822e-04 -5.78046839e-03] [-4.15150914e-03 1.68114731e-03 9.40094705e-03] [-1.31055001e-03 -4.28316008e-04 6.54506679e-03] [ 7.67547337e-03 -2.91915848e-03 -3.62892803e-03] [-8.35355440e-03 3.52835296e-03 -3.18973470e-03] [ 1.79638138e-03 8.09617823e-04 6.22186500e-03] [-3.16195123e-03 5.63732522e-03 3.42587352e-04] [ 4.53811298e-03 -4.94512129e-03 -3.36218157e-04] [-7.82783010e-04 3.04169226e-03 -1.27617456e-03] [-2.36434116e-04 -2.58423840e-03 -1.01064121e-03] [ 5.42409279e-03 -2.95677125e-03 8.11177131e-03] [-4.24975518e-03 4.57992662e-03 6.20260025e-03] [-9.96774266e-03 5.29358613e-03 -4.77492832e-03] [ 9.39429161e-03 -4.47159161e-03 -3.34449360e-03]] Final stress: [ 1.39631441e-03 -2.85549414e-04 -1.16037419e-03 3.15845099e-07 3.41488795e-07 -1.91973938e-06] Minimization converged after 78 steps. Minimization converged after 75 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-4.18264395e-04 -1.04043089e-04 3.14742221e-05] [ 4.18263135e-04 1.04042132e-04 3.14748989e-05] [ 4.18266866e-04 -1.04045430e-04 -3.14713890e-05] [-4.18252513e-04 1.04031382e-04 -3.14857918e-05] [ 1.55953464e-04 -3.41551627e-04 -1.76662634e-04] [-1.55952680e-04 3.41553516e-04 -1.76663243e-04] [-1.55951731e-04 -3.41555042e-04 1.76665098e-04] [ 1.55952595e-04 3.41553325e-04 1.76663274e-04] [-8.26948479e-05 -2.37264736e-04 -5.65851476e-04] [-8.26943955e-05 2.37264660e-04 5.65851143e-04] [ 8.26912499e-05 2.37262090e-04 -5.65846359e-04] [ 8.26911814e-05 -2.37262159e-04 5.65846835e-04] [-4.82453674e-04 -1.58108436e-04 3.99109786e-05] [ 4.82451890e-04 -1.58107708e-04 -3.99117959e-05] [-4.82456815e-04 1.58110844e-04 -3.99090600e-05] [ 4.82455672e-04 1.58110617e-04 3.99097152e-05] [-1.34433495e-04 1.69000243e-06 -2.05410067e-04] [ 1.34439153e-04 -1.69023200e-06 -2.05404962e-04] [ 1.34434714e-04 1.68833653e-06 2.05404099e-04] [-1.34439822e-04 -1.68598154e-06 2.05412385e-04] [-1.87159729e-04 -4.55715345e-04 -1.05634682e-04] [ 1.87159317e-04 4.55715103e-04 -1.05638635e-04] [ 1.87159642e-04 -4.55712706e-04 1.05635402e-04] [-1.87164782e-04 4.55720483e-04 1.05642045e-04]] Final stress: [-7.34209563e-05 5.68252924e-05 5.62869891e-05 5.39904136e-12 -1.64236416e-12 -8.76603317e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.20474458e-04 -1.05712920e-04 8.17421012e-05] [-3.20479639e-04 1.05707608e-04 8.17475130e-05] [-3.20471246e-04 -1.05716216e-04 -8.17391575e-05] [ 3.20465846e-04 1.05721666e-04 -8.17336575e-05] [-5.79704491e-05 -8.11044393e-05 2.83093226e-04] [ 5.79705917e-05 8.11046118e-05 2.83093051e-04] [ 5.79697622e-05 -8.11034984e-05 -2.83094145e-04] [-5.79686993e-05 8.11016585e-05 -2.83095401e-04] [ 1.27559311e-04 1.95599441e-04 4.48291993e-04] [ 1.27557116e-04 -1.95598271e-04 -4.48289948e-04] [-1.27558094e-04 -1.95598477e-04 4.48290554e-04] [-1.27557000e-04 1.95598098e-04 -4.48289995e-04] [-3.98299700e-06 2.88858207e-04 1.45646534e-04] [ 3.98064810e-06 2.88860366e-04 -1.45647972e-04] [-3.98072029e-06 -2.88859758e-04 -1.45647837e-04] [ 3.98053485e-06 -2.88860373e-04 1.45647874e-04] [-1.57060872e-04 1.32494664e-04 3.32144546e-06] [ 1.57061632e-04 -1.32492725e-04 3.31940135e-06] [ 1.57060896e-04 1.32497492e-04 -3.32198564e-06] [-1.57057669e-04 -1.32497901e-04 -3.32385696e-06] [-2.28364972e-04 6.12898352e-04 1.43450119e-04] [ 2.28368740e-04 -6.12893627e-04 1.43447537e-04] [ 2.28361641e-04 6.12897497e-04 -1.43452576e-04] [-2.28358819e-04 -6.12901455e-04 -1.43454817e-04]] Final stress: [ 8.05677549e-05 -4.62855219e-05 -4.66205696e-05 2.64000055e-12 2.69552205e-12 -2.59719211e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-1.01655875e-04 -7.15143396e-05 5.66443343e-05] [ 1.01656611e-04 7.15147609e-05 5.66442238e-05] [ 1.01650696e-04 -7.15092937e-05 -5.66501201e-05] [-1.01673117e-04 7.15310716e-05 -5.66274657e-05] [ 1.34173296e-04 1.32882014e-04 -9.96535537e-05] [-1.34170875e-04 -1.32877808e-04 -9.96581819e-05] [-1.34172707e-04 1.32880081e-04 9.96545388e-05] [ 1.34171262e-04 -1.32876998e-04 9.96580373e-05] [ 4.89594510e-05 5.97488049e-05 2.81881836e-05] [ 4.89561297e-05 -5.97475573e-05 -2.81856933e-05] [-4.89552516e-05 -5.97459579e-05 2.81830559e-05] [-4.89507557e-05 5.97432677e-05 -2.81782807e-05] [-1.04928285e-04 -9.75316183e-06 1.83961935e-06] [ 1.04926501e-04 -9.75102344e-06 -1.84058237e-06] [-1.04921621e-04 9.74827787e-06 -1.84364039e-06] [ 1.04929189e-04 9.75248593e-06 1.83970160e-06] [ 5.58466738e-05 -5.74361717e-05 -1.62279316e-05] [-5.58522950e-05 5.74351543e-05 -1.62355814e-05] [-5.58477239e-05 -5.74415220e-05 1.62328723e-05] [ 5.58521115e-05 5.74329306e-05 1.62237414e-05] [ 6.86984861e-05 -4.84886670e-05 -1.13778500e-04] [-6.86999310e-05 4.84893535e-05 -1.13773041e-04] [-6.87023723e-05 -4.84928764e-05 1.13778632e-04] [ 6.87104026e-05 4.84771741e-05 1.13765631e-04]] Final stress: [-1.44587431e-05 -1.56077131e-05 2.85839982e-05 1.21862422e-12 5.77612127e-13 -9.27272786e-12] Minimization converged after 57 steps. Minimization converged after 55 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-4.14200807e-05 1.17502517e-04 -2.49792116e-05] [ 4.14149222e-05 -1.17507460e-04 -2.49741829e-05] [ 4.14265023e-05 1.17496032e-04 2.49852923e-05] [-4.14319059e-05 -1.17490486e-04 2.49908229e-05] [ 2.61568188e-05 5.35919236e-06 1.25228625e-04] [-2.61528883e-05 -5.35197850e-06 1.25224070e-04] [-2.61550273e-05 5.35486062e-06 -1.25225624e-04] [ 2.61542439e-05 -5.35340558e-06 -1.25226111e-04] [ 3.58653170e-05 -6.03841896e-05 -1.15106901e-04] [ 3.58651356e-05 6.03839608e-05 1.15105990e-04] [-3.58687827e-05 6.03821283e-05 -1.15102520e-04] [-3.58618194e-05 -6.03861051e-05 1.15109904e-04] [ 3.40976630e-05 4.24943610e-06 9.27711059e-05] [-3.41002992e-05 4.25129829e-06 -9.27729267e-05] [ 3.40964220e-05 -4.24857219e-06 -9.27705606e-05] [-3.40980634e-05 -4.24988101e-06 9.27713104e-05] [-1.01053272e-06 -7.66208637e-05 3.84345957e-05] [ 1.01758543e-06 7.66217277e-05 3.84362593e-05] [ 1.01136308e-06 -7.66192874e-05 -3.84414127e-05] [-1.01336007e-06 7.66154744e-05 -3.84422751e-05] [-4.70746213e-05 -5.61268877e-05 1.13503668e-04] [ 4.70782683e-05 5.61295046e-05 1.13503370e-04] [ 4.70703154e-05 -5.61248420e-05 -1.13509323e-04] [-4.70671761e-05 5.61178274e-05 -1.13513964e-04]] Final stress: [-1.26096371e-05 3.21577430e-05 -1.14786838e-05 7.85140058e-12 -1.07163165e-11 -6.06627526e-12] Minimization converged after 54 steps. Minimization converged after 56 steps. Minimization converged after 8 steps. Minimization converged after 108 steps. Minimization converged after 109 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-8.08533722e-04 -2.67038968e-04 3.40028545e-04] [-4.74840303e-04 -1.53839669e-05 1.68422751e-05] [-4.77345026e-04 1.78488290e-05 -1.93018213e-05] [-8.09451390e-04 2.67877191e-04 -3.39142723e-04] [ 1.28807017e-03 5.89347463e-04 -1.03101400e-03] [ 9.12611213e-04 -2.10006458e-04 2.11492740e-03] [ 9.12613731e-04 2.10022424e-04 -2.11505864e-03] [ 1.28781096e-03 -5.88928861e-04 1.03147896e-03] [ 1.43422156e-03 -5.29896552e-04 7.31722554e-04] [ 1.43447721e-03 5.29731257e-04 -7.31974030e-04] [ 9.39439636e-04 -2.71227083e-04 3.55508510e-04] [ 9.39416048e-04 2.71179316e-04 -3.55456375e-04] [-2.23704878e-04 7.12465424e-04 1.95458657e-04] [-3.96277065e-04 1.57025272e-03 7.40232144e-04] [-2.23359707e-04 -7.12760401e-04 -1.95680512e-04] [-3.96760934e-04 -1.57065366e-03 -7.39910621e-04] [-1.02450782e-03 2.11245136e-04 -7.98773244e-04] [-9.79360110e-04 -2.08336446e-03 7.96567962e-04] [-9.78333928e-04 2.08249149e-03 -7.95978863e-04] [-1.02383443e-03 -2.11304452e-04 7.98624232e-04] [-1.68239869e-03 6.52532846e-04 -2.91943149e-04] [ 1.01553970e-03 6.59788626e-04 2.75429183e-04] [ 1.01682329e-03 -6.61062168e-04 -2.73711375e-04] [-1.68231552e-03 -6.53155693e-04 2.91124931e-04]] Final stress: [ 2.33906575e-04 -9.90974136e-05 -1.01450728e-04 2.07820246e-05 -3.96600743e-10 1.83400523e-10] Minimization converged after 75 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. Minimization converged after 76 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[ 0.0024293 0.0135665 0.00310232] [-0.00382765 0.00913735 0.01615811] [-0.00244634 0.01358397 -0.00311926] [ 0.00385659 0.00910776 -0.01618738] [-0.0145164 0.00517089 0.00779649] [-0.02496325 -0.0002889 0.03598128] [ 0.01451902 0.00516711 -0.00779323] [ 0.02495761 -0.00027963 -0.0359742 ] [ 0.02273122 -0.00544772 0.01986492] [-0.00074782 -0.01045269 -0.00941098] [ 0.00075204 -0.01045097 0.00940741] [-0.0227347 -0.00544655 -0.01986645] [ 0.00705247 0.02872513 -0.0015862 ] [-0.00704809 0.02872135 0.0015891 ] [-0.00100598 -0.02346918 0.00536693] [ 0.00100723 -0.02346786 -0.00536726] [ 0.00327181 -0.00682762 -0.00245406] [ 0.00386958 -0.00980472 -0.01650924] [-0.00327004 -0.00683845 0.00245997] [-0.00387816 -0.00979094 0.01651551] [-0.01258874 -0.00071004 0.01944816] [-0.00756776 0.00039708 0.00490819] [ 0.01260171 -0.00071379 -0.01943868] [ 0.00754635 0.00041194 -0.00489146]] Final stress: [ 2.55234759e-03 4.42686483e-06 -1.91759396e-04 -8.94172387e-09 -1.39644369e-04 2.73561268e-09] Minimization converged after 105 steps. Minimization converged after 95 steps. Minimization converged after 74 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-5.76402813e-05 -2.76778042e-04 7.91443640e-04] [ 5.59421313e-05 2.75118810e-04 7.93131199e-04] [ 2.02446306e-04 1.17087457e-04 4.86335415e-04] [-2.01697119e-04 -1.17788738e-04 4.85633231e-04] [ 5.54468315e-04 2.00231880e-04 -7.25193163e-04] [-5.54524598e-04 -2.00335046e-04 -7.25019076e-04] [ 1.38213087e-04 6.88794918e-04 -1.77980566e-03] [-1.38107131e-04 -6.88962984e-04 -1.78002971e-03] [ 7.42747921e-04 -6.10443284e-04 8.74706112e-04] [-2.22669085e-04 -4.84293225e-04 -1.47649971e-04] [-7.42571471e-04 6.10592756e-04 8.74486002e-04] [ 2.22708607e-04 4.84274701e-04 -1.47605626e-04] [-3.89996719e-05 2.64914516e-03 -1.39148303e-03] [-2.65539582e-04 -2.79833670e-04 -8.39830760e-04] [ 2.65167752e-04 2.80176482e-04 -8.39593319e-04] [ 3.92687314e-05 -2.64895936e-03 -1.39165761e-03] [ 8.77787012e-04 1.94591396e-03 9.91696527e-04] [-8.77026170e-04 -1.94549299e-03 9.91175158e-04] [ 9.86120342e-04 3.13488268e-04 9.70422751e-04] [-9.86629310e-04 -3.13276050e-04 9.70426226e-04] [-1.84287877e-03 2.65120932e-04 3.97269232e-04] [ 1.84362354e-03 -2.64092182e-04 3.96180352e-04] [ 7.81048617e-04 -2.36337237e-04 3.72128346e-04] [-7.81259177e-04 2.36647486e-04 3.72833726e-04]] Final stress: [ 2.39186340e-04 -1.01230835e-04 -1.03677827e-04 9.41073054e-11 2.23766410e-10 -2.06912425e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 3.18535319e-05 -4.17360810e-04 -1.03029272e-04] [-3.18801357e-05 4.17334586e-04 -1.03002567e-04] [-3.18587071e-05 -4.17355498e-04 1.03023406e-04] [ 3.18596469e-05 4.17355205e-04 1.03023409e-04] [ 3.83876381e-05 -4.83561785e-04 -1.56637511e-04] [-3.83876273e-05 4.83561552e-04 -1.56636188e-04] [-3.83871817e-05 -4.83562876e-04 1.56637936e-04] [ 3.83871944e-05 4.83563482e-04 1.56637065e-04] [-1.77847023e-04 1.55493840e-04 -3.41889953e-04] [-1.77849796e-04 -1.55491977e-04 3.41892861e-04] [ 1.77850458e-04 -1.55491037e-04 -3.41894205e-04] [ 1.77853888e-04 1.55489009e-04 3.41898215e-04] [-5.67867568e-04 -8.40041283e-05 -2.37885043e-04] [ 5.67864044e-04 -8.40004361e-05 2.37882940e-04] [-5.67870299e-04 8.40062813e-05 2.37886734e-04] [ 5.67872928e-04 8.40069840e-05 -2.37888111e-04] [-2.07326598e-04 -1.37122079e-04 2.28777948e-06] [ 2.07338566e-04 1.37126737e-04 2.27643477e-06] [ 2.07327339e-04 -1.37124376e-04 -2.28371305e-06] [-2.07334070e-04 1.37123851e-04 -2.28940735e-06] [-1.04814820e-04 -1.88428746e-04 -4.54757911e-04] [ 1.04826103e-04 1.88444620e-04 -4.54772058e-04] [ 1.04815069e-04 -1.88433311e-04 4.54757102e-04] [-1.04812578e-04 1.88430913e-04 4.54762056e-04]] Final stress: [ 5.63240551e-05 -7.34289334e-05 5.68683443e-05 -1.29474535e-12 -2.43766559e-12 -9.35049816e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 8.49974455e-05 3.27993122e-04 -1.04477770e-04] [-8.49850349e-05 -3.27980615e-04 -1.04490602e-04] [-8.49861436e-05 3.27981644e-04 1.04489526e-04] [ 8.49969283e-05 -3.27992557e-04 1.04478331e-04] [ 1.50863283e-04 -1.06270370e-05 2.83406793e-04] [-1.50863707e-04 1.06265713e-05 2.83407087e-04] [-1.50864501e-04 -1.06249718e-05 -2.83408198e-04] [ 1.50863669e-04 1.06261339e-05 -2.83407257e-04] [ 2.82777662e-04 -6.36116462e-05 -9.55557447e-05] [ 2.82778647e-04 6.36109055e-05 9.55544010e-05] [-2.82780528e-04 6.36094332e-05 -9.55522089e-05] [-2.82781016e-04 -6.36090974e-05 9.55515682e-05] [ 4.40172934e-04 1.26382980e-04 1.94311777e-04] [-4.40170730e-04 1.26380448e-04 -1.94310517e-04] [ 4.40171852e-04 -1.26382274e-04 -1.94311241e-04] [-4.40171372e-04 -1.26380977e-04 1.94310896e-04] [ 1.02341657e-05 -1.59685126e-04 1.27825289e-04] [-1.02372455e-05 1.59682033e-04 1.27831810e-04] [-1.02371937e-05 -1.59681319e-04 -1.27830645e-04] [ 1.02341130e-05 1.59683460e-04 -1.27824566e-04] [ 1.34461485e-04 -2.26412732e-04 6.14881677e-04] [-1.34468633e-04 2.26403432e-04 6.14887043e-04] [-1.34467576e-04 -2.26404711e-04 -6.14885706e-04] [ 1.34461496e-04 2.26412899e-04 -6.14881742e-04]] Final stress: [-4.66712267e-05 8.08198852e-05 -4.63146896e-05 -2.29512874e-12 -1.19522797e-12 3.08304552e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-9.62118609e-06 -4.01111491e-05 -6.17592425e-05] [ 9.64206682e-06 4.01328874e-05 -6.17815265e-05] [ 9.63117090e-06 -4.01204466e-05 6.17698331e-05] [-9.59372767e-06 4.00829891e-05 6.17320705e-05] [-1.45864057e-05 -6.27505688e-05 -9.07790326e-05] [ 1.45851732e-05 6.27489967e-05 -9.07770158e-05] [ 1.45912226e-05 -6.27603807e-05 9.07857314e-05] [-1.45982318e-05 6.27729116e-05 9.07939709e-05] [-8.15196734e-05 4.75463738e-05 -2.81272358e-06] [-8.15192232e-05 -4.75458562e-05 2.81336492e-06] [ 8.15130014e-05 -4.75513047e-05 -2.80460364e-06] [ 8.15195018e-05 4.75459477e-05 2.81538201e-06] [ 4.66469771e-06 7.11607968e-05 -1.75565238e-05] [-4.66026982e-06 7.11552682e-05 1.75594637e-05] [ 4.66235232e-06 -7.11586923e-05 1.75581381e-05] [-4.64973929e-06 -7.11482493e-05 -1.75648367e-05] [-1.02288300e-04 9.58227208e-05 -7.25261476e-05] [ 1.02287953e-04 -9.58317910e-05 -7.25188181e-05] [ 1.02282454e-04 9.58096480e-05 7.25135412e-05] [-1.02304828e-04 -9.58040100e-05 7.25248646e-05] [-1.36521962e-04 -1.35050017e-05 -5.20083176e-05] [ 1.36505140e-04 1.34826475e-05 -5.19977574e-05] [ 1.36515752e-04 -1.34830710e-05 5.20021537e-05] [-1.36536939e-04 1.35093338e-05 5.20180319e-05]] Final stress: [ 3.03107007e-05 -1.42077939e-05 -1.55828557e-05 -1.94941965e-11 -8.94216108e-12 -1.46504468e-11] Minimization converged after 58 steps. Minimization converged after 54 steps. Minimization converged after 8 steps. Minimization converged after 108 steps. Minimization converged after 109 steps. Minimization converged after 78 steps. Minimization converged after 75 steps. Minimization converged after 104 steps. Minimization converged after 100 steps. Minimization converged after 76 steps. Minimization converged after 77 steps. Minimization converged after 100 steps. Minimization converged after 99 steps. Minimization converged after 74 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 0.00597485 -0.00263915 0.00724129] [-0.00596284 0.00265077 0.00722953] [-0.00647233 0.00447749 0.00651829] [ 0.00646869 -0.00447421 0.00652154] [ 0.00041951 -0.00489811 0.00903385] [-0.00041921 0.00489862 0.00903284] [ 0.00561731 -0.00236409 -0.01915664] [-0.0056182 0.00236544 -0.01915499] [ 0.00929716 -0.00479814 -0.00468973] [ 0.01477215 -0.00440329 0.01007698] [-0.00929849 0.00479701 -0.00468805] [-0.0147725 0.0044035 0.01007661] [ 0.00045608 0.01288194 -0.01215637] [ 0.00298374 -0.00788503 -0.00493999] [-0.00298123 0.00788267 -0.00494153] [-0.00045743 -0.01288274 -0.01215548] [ 0.00056749 0.00167655 -0.00081356] [-0.00057258 -0.00167962 -0.00080988] [ 0.0088642 -0.01561525 0.00579286] [-0.00886152 0.01561408 0.0057933 ] [ 0.00057427 0.00273976 0.00116526] [-0.00057982 -0.00274715 0.00117274] [-0.00671132 -0.00362778 0.00192755] [ 0.00671203 0.00362673 0.00192357]] Final stress: [-2.37905438e-04 2.19844291e-03 -8.38929326e-05 -9.10534809e-10 -2.81436737e-09 -9.55572256e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.04040439e-04 3.25075515e-05 -4.17755958e-04] [ 1.04036318e-04 -3.25115660e-05 -4.17751902e-04] [ 1.04030495e-04 3.25177024e-05 4.17746085e-04] [-1.04028499e-04 -3.25195746e-05 4.17744202e-04] [-2.37248126e-04 -5.64728347e-04 -8.39010399e-05] [ 2.37248225e-04 5.64728507e-04 -8.39009795e-05] [ 2.37249693e-04 -5.64730761e-04 8.39030611e-05] [-2.37249307e-04 5.64730080e-04 8.39023074e-05] [-1.57052687e-04 3.98785187e-05 -4.82096559e-04] [-1.57051149e-04 -3.98791626e-05 4.82095396e-04] [ 1.57052881e-04 -3.98783278e-05 -4.82096747e-04] [ 1.57051263e-04 3.98791438e-05 4.82095452e-04] [-3.41459997e-04 -1.75058936e-04 1.57081931e-04] [ 3.41460328e-04 -1.75059146e-04 -1.57081641e-04] [-3.41461420e-04 1.75060088e-04 -1.57080958e-04] [ 3.41460419e-04 1.75059187e-04 1.57081669e-04] [ 6.04836774e-07 -2.08066917e-04 -1.34826515e-04] [-6.02701538e-07 2.08068054e-04 -1.34827365e-04] [-6.02423513e-07 -2.08071645e-04 1.34829331e-04] [ 6.01118272e-07 2.08072186e-04 1.34829831e-04] [-4.55103203e-04 -1.04648987e-04 -1.87513072e-04] [ 4.55105015e-04 1.04651630e-04 -1.87515642e-04] [ 4.55110345e-04 -1.04653641e-04 1.87518743e-04] [-4.55110985e-04 1.04654363e-04 1.87520369e-04]] Final stress: [ 5.69096763e-05 5.63761363e-05 -7.34655786e-05 7.81749840e-13 3.73290552e-13 2.39828728e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-9.11044188e-05 8.29882792e-05 3.23969327e-04] [ 9.11082023e-05 -8.29846713e-05 3.23965650e-04] [ 9.11022041e-05 8.29905257e-05 -3.23971509e-04] [-9.11069094e-05 -8.29859444e-05 -3.23966902e-04] [ 1.98133328e-04 4.33826729e-04 1.31667990e-04] [-1.98132689e-04 -4.33825587e-04 1.31666823e-04] [-1.98133220e-04 4.33826682e-04 -1.31667841e-04] [ 1.98133221e-04 -4.33826727e-04 -1.31667487e-04] [ 2.98517694e-04 1.38734311e-04 8.85099152e-08] [ 2.98518846e-04 -1.38735166e-04 -8.99775036e-08] [-2.98518282e-04 -1.38734836e-04 8.94509020e-08] [-2.98518956e-04 1.38735177e-04 -9.02150892e-08] [-7.29473961e-05 2.83669340e-04 -5.39598190e-05] [ 7.29478725e-05 2.83669085e-04 5.39600813e-05] [-7.29474760e-05 -2.83669449e-04 5.39597542e-05] [ 7.29457612e-05 -2.83670707e-04 -5.39588232e-05] [ 1.34109785e-04 7.25291954e-06 -1.52800217e-04] [-1.34111309e-04 -7.25398881e-06 -1.52798824e-04] [-1.34108707e-04 7.25308105e-06 1.52800849e-04] [ 1.34111479e-04 -7.25434862e-06 1.52800482e-04] [ 5.98533193e-04 1.39091112e-04 -2.25355957e-04] [-5.98534423e-04 -1.39092872e-04 -2.25353342e-04] [-5.98530961e-04 1.39089381e-04 2.25357825e-04] [ 5.98533160e-04 -1.39092326e-04 2.25354171e-04]] Final stress: [-4.59639036e-05 -4.62921267e-05 8.02352632e-05 1.63709603e-12 -9.12606271e-13 3.02229288e-12] Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-1.63406433e-02 -2.50547285e-03 -9.93225625e-03] [ 6.36208314e-03 1.43454496e-02 4.81272780e-03] [-1.12600814e-02 3.71699964e-03 -2.24428667e-02] [ 8.95683724e-03 -2.28524750e-02 -1.52226691e-02] [ 1.40330963e-02 3.47240891e-03 2.83804353e-03] [-1.33057707e-02 -7.97920279e-03 2.03511891e-03] [-9.10711348e-03 1.45566025e-03 3.52943667e-03] [ 1.03976363e-02 2.15804480e-03 1.43713680e-03] [ 1.26116804e-02 -3.83733671e-03 -1.45482754e-03] [ 1.59813934e-02 2.66107876e-03 -7.83656448e-04] [-1.25323420e-02 -8.32497362e-03 3.80848718e-03] [-1.63494161e-02 9.92201694e-03 -6.66305841e-03] [-7.96768357e-03 -6.08959452e-03 -3.91294252e-03] [ 1.64628317e-02 -3.36852443e-03 8.22856129e-03] [-1.05303124e-02 8.22119747e-03 5.78471736e-03] [ 1.57491732e-02 2.84127072e-03 -7.58310478e-03] [ 4.89692880e-03 1.70940097e-03 8.50265890e-05] [-6.37859444e-03 -3.54741698e-03 -3.14675667e-04] [-3.44994564e-03 -6.75718834e-03 4.98977671e-03] [-1.96632913e-03 1.06101458e-02 6.17027552e-03] [ 1.00340630e-02 4.80579319e-03 1.40828876e-02] [-6.66091763e-03 1.48795757e-03 2.27763348e-02] [ 7.93575813e-03 -7.80936883e-03 -1.33270434e-02] [-7.57233179e-03 5.66412934e-03 1.05857003e-03]] Final stress: [ 1.98710685e-03 -4.18449792e-05 -1.60149187e-03 1.01767352e-05 8.53996965e-07 1.84757907e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-0.00253067 0.03903893 0.01597153] [-0.0296942 -0.01626245 0.02364719] [-0.02968578 0.01625369 -0.02363883] [-0.0025327 -0.03903656 -0.01596947] [ 0.01998256 0.00867816 0.02840656] [-0.00236188 -0.01517368 0.06190904] [-0.00236279 0.01517523 -0.06190991] [ 0.01998401 -0.00868071 -0.02840876] [ 0.07202617 -0.01477064 -0.01001744] [ 0.07202539 0.01477112 0.01001799] [-0.08560507 -0.00116056 -0.01229142] [-0.08560483 0.00116067 0.01229116] [-0.0009115 0.06684628 0.04139318] [ 0.00069981 0.03582988 0.02550111] [-0.00091231 -0.06684566 -0.04139272] [ 0.00070041 -0.03582933 -0.02550158] [ 0.00319389 -0.02098138 -0.03594637] [ 0.01977564 0.00375137 -0.02376718] [ 0.01977304 -0.00374694 0.02376543] [ 0.00319357 0.0209789 0.03594607] [ 0.00282189 0.02336198 0.02149552] [ 0.00260312 -0.05432669 -0.00595404] [ 0.00259795 0.05433039 0.00594879] [ 0.00282429 -0.023362 -0.02149587]] Final stress: [ 1.30293590e-03 4.28673789e-04 7.08730948e-03 2.83879653e-04 3.61444554e-10 -1.73976393e-09] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 1.44083038e-03 -9.29388336e-05 -3.33747041e-04] [ 1.96918668e-03 -1.43314416e-03 -1.78247529e-05] [ 1.96579212e-03 1.43630548e-03 1.45460158e-05] [ 1.43342328e-03 1.00232844e-04 3.41001760e-04] [-1.63977567e-03 2.69151666e-03 2.08369171e-03] [-1.26110048e-03 -1.36683193e-03 -1.29634764e-03] [-1.26180540e-03 1.36798018e-03 1.29501535e-03] [-1.63977866e-03 -2.69147388e-03 -2.08326045e-03] [ 1.73347427e-03 -9.29902167e-05 1.18430197e-03] [ 1.73344397e-03 9.28312306e-05 -1.18447022e-03] [-1.73813531e-03 7.68819795e-04 3.81494123e-04] [-1.73750688e-03 -7.69245414e-04 -3.80890857e-04] [ 1.12430218e-03 1.98321060e-04 -2.05260290e-03] [ 1.27500087e-04 3.61740673e-03 -2.97310493e-03] [ 1.12587270e-03 -1.99597269e-04 2.05158154e-03] [ 1.26206760e-04 -3.61846725e-03 2.97391481e-03] [-3.33640931e-04 -1.60406541e-04 1.49539054e-03] [-1.42975021e-03 1.97262028e-03 -5.82835487e-06] [-1.42738830e-03 -1.97294074e-03 6.46160089e-06] [-3.30400614e-04 1.57924918e-04 -1.49708196e-03] [-1.83482813e-04 1.33180110e-03 -1.91891418e-03] [ 1.90990206e-04 1.76515913e-04 1.73094443e-04] [ 1.91601822e-04 -1.78672923e-04 -1.70258894e-04] [-1.79859193e-04 -1.33556703e-03 1.91383832e-03]] Final stress: [-1.11986798e-04 -1.16834186e-04 3.23386143e-04 -2.56965869e-05 -9.75085074e-10 -4.19206269e-10] Minimization converged after 106 steps. Minimization converged after 95 steps. Minimization converged after 75 steps. Minimization converged after 76 steps. Minimization converged after 109 steps. Minimization converged after 113 steps. Minimization converged after 79 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-7.66123834e-05 -1.30422592e-04 4.24322475e-04] [ 8.26047172e-05 1.36458312e-04 4.18152530e-04] [ 8.79421835e-05 4.41932293e-04 6.89422567e-04] [-8.33170993e-05 -4.46646075e-04 6.84584886e-04] [ 3.21426573e-04 3.14530107e-04 -9.62866063e-04] [-3.21678916e-04 -3.14855552e-04 -9.62665687e-04] [ 4.61562730e-04 6.97845557e-04 -1.48565594e-03] [-4.61904778e-04 -6.97369251e-04 -1.48523373e-03] [ 1.74704716e-03 -8.25497530e-04 5.42317047e-04] [ 6.54042891e-04 -2.35224012e-04 3.53026602e-04] [-1.74827130e-03 8.24535558e-04 5.43802631e-04] [-6.55191587e-04 2.36112205e-04 3.51637782e-04] [ 2.14206082e-04 1.96973989e-03 -9.60360104e-04] [-6.36936098e-04 -8.86745348e-04 -1.36852091e-03] [ 6.37728849e-04 8.85699374e-04 -1.36900243e-03] [-2.13773954e-04 -1.96898813e-03 -9.60610820e-04] [ 2.05547967e-03 8.63236945e-04 9.12833045e-04] [-2.05726067e-03 -8.64593889e-04 9.15831550e-04] [-1.58963189e-04 -9.30017791e-04 1.04954856e-03] [ 1.57890727e-04 9.31019208e-04 1.05225112e-03] [-4.77068800e-04 2.98615250e-04 -8.99893902e-04] [ 4.73790308e-04 -3.03029213e-04 -8.97243075e-04] [-5.23862198e-04 -2.26557994e-04 1.70633479e-03] [ 5.21119075e-04 2.30222679e-04 1.70798707e-03]] Final stress: [-1.00860072e-04 -1.03393012e-04 2.42897997e-04 -1.01532154e-09 -1.22926891e-10 -2.08129549e-05] Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-7.77188814e-05 8.11998302e-05 1.05717838e-04] [ 7.77111965e-05 -8.12074419e-05 1.05725730e-04] [ 7.77394264e-05 8.11782742e-05 -1.05697940e-04] [-7.77541757e-05 -8.11636043e-05 -1.05682570e-04] [ 1.04331101e-04 9.13952973e-05 1.34197609e-06] [-1.04329551e-04 -9.13930093e-05 1.34002702e-06] [-1.04337570e-04 9.14063519e-05 -1.35038866e-06] [ 1.04335560e-04 -9.14022603e-05 -1.34755335e-06] [ 4.36593435e-05 -8.60487250e-05 -1.19190034e-04] [ 4.36574927e-05 8.60480977e-05 1.19188645e-04] [-4.36563663e-05 8.60507401e-05 -1.19193694e-04] [-4.36514991e-05 -8.60528698e-05 1.19197027e-04] [-6.62676356e-05 -9.48079489e-06 3.19585287e-06] [ 6.62693585e-05 -9.48094486e-06 -3.19560290e-06] [-6.62714334e-05 9.48302822e-06 -3.19455079e-06] [ 6.62754280e-05 9.48498557e-06 3.19205185e-06] [-3.58579715e-05 -1.65220084e-05 -5.46680960e-05] [ 3.58605302e-05 1.65208687e-05 -5.46758928e-05] [ 3.58503503e-05 -1.65066261e-05 5.46704360e-05] [-3.58525970e-05 1.64982037e-05 5.46599278e-05] [-1.48510953e-05 -1.22603641e-04 4.85336235e-05] [ 1.48508620e-05 1.22607326e-04 4.85325414e-05] [ 1.48318558e-05 -1.22598590e-04 -4.85465114e-05] [-1.48237291e-05 1.22587513e-04 -4.85528427e-05]] Final stress: [-5.06170439e-05 2.40157538e-05 2.47652211e-05 -1.84839973e-12 -1.12134425e-11 -4.46882918e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.16960397e-04 -1.53099652e-04 -2.15982561e-05] [-1.16958946e-04 1.53101008e-04 -2.15996097e-05] [-1.16960025e-04 -1.53100106e-04 2.15985526e-05] [ 1.16953668e-04 1.53106359e-04 2.16049404e-05] [-1.23702223e-04 -2.88439699e-04 -2.32825634e-05] [ 1.23702709e-04 2.88440444e-04 -2.32834132e-05] [ 1.23701848e-04 -2.88439053e-04 2.32820924e-05] [-1.23702234e-04 2.88439739e-04 2.32828629e-05] [-1.14432230e-04 5.13439919e-05 1.16508584e-04] [-1.14432137e-04 -5.13442333e-05 -1.16508938e-04] [ 1.14432478e-04 -5.13437599e-05 1.16508151e-04] [ 1.14432805e-04 5.13436020e-05 -1.16508059e-04] [-1.84366395e-04 -1.04949804e-04 4.49635330e-05] [ 1.84366915e-04 -1.04949959e-04 -4.49633358e-05] [-1.84366545e-04 1.04949768e-04 -4.49636627e-05] [ 1.84366823e-04 1.04949813e-04 4.49634696e-05] [-5.42989491e-05 -2.37751956e-06 -7.25879249e-06] [ 5.42979061e-05 2.37665563e-06 -7.25939554e-06] [ 5.42985454e-05 -2.37665625e-06 7.25955973e-06] [-5.42966587e-05 2.37404390e-06 7.25714114e-06] [-1.96342790e-04 2.11382492e-04 -6.44807656e-05] [ 1.96341881e-04 -2.11383310e-04 -6.44793487e-05] [ 1.96342142e-04 2.11382059e-04 6.44804929e-05] [-1.96338982e-04 -2.11386222e-04 6.44767613e-05]] Final stress: [ 4.40815076e-05 -3.48830867e-05 -3.51216317e-05 1.22703276e-12 -2.14827220e-12 -4.08403074e-13] Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 105 steps. Minimization converged after 109 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-6.45660093e-04 -2.46194568e-05 7.30901642e-04] [-9.45609458e-04 -1.15516430e-04 -2.21084970e-05] [-9.39231645e-04 1.09317192e-04 2.83460290e-05] [-6.40886588e-04 2.00617539e-05 -7.35550308e-04] [ 9.14631046e-04 -1.65437998e-04 2.10584875e-04] [ 6.60952539e-04 -8.36185449e-04 1.47047858e-03] [ 6.61209892e-04 8.35730758e-04 -1.46971202e-03] [ 9.15118495e-04 1.64647186e-04 -2.11643400e-04] [ 6.35637755e-04 -2.80773211e-04 1.46865224e-03] [ 6.35160635e-04 2.81150327e-04 -1.46811494e-03] [-6.52095314e-04 -5.78464847e-04 6.79124179e-04] [-6.52250352e-04 5.78692137e-04 -6.79402228e-04] [ 4.97270694e-04 6.75678665e-04 8.99557861e-04] [-5.70630490e-04 4.44821440e-04 5.71547010e-04] [ 4.95916307e-04 -6.74553377e-04 -8.98688258e-04] [-5.69075900e-04 -4.43546597e-04 -5.72548988e-04] [ 2.32293599e-04 -5.27655063e-05 -9.05653695e-04] [ 1.44705897e-04 3.20786505e-04 4.12549648e-04] [ 1.41640709e-04 -3.18968133e-04 -4.13988802e-04] [ 2.29589651e-04 5.38427055e-05 9.06602512e-04] [ 1.05916660e-04 3.61888062e-04 1.18527899e-04] [-3.78078838e-04 -4.04206863e-04 7.23737378e-04] [-3.80879542e-04 4.07601900e-04 -7.28296087e-04] [ 1.04354340e-04 -3.59180763e-04 -1.14902629e-04]] Final stress: [ 1.93826065e-04 -8.21369969e-05 -8.39076310e-05 8.44849958e-06 1.04523646e-09 -2.71733863e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 9.65106314e-04 1.39581748e-04 -1.63920474e-06] [ 6.18488062e-04 -7.69061169e-06 7.27840064e-04] [ 6.23932270e-04 2.31023630e-06 -7.22493218e-04] [ 9.66231694e-04 -1.40538550e-04 5.71977806e-07] [-6.44130576e-04 8.70197697e-04 1.45192979e-03] [-9.00542583e-04 1.41361680e-04 1.95954518e-04] [-9.00667097e-04 -1.41204397e-04 -1.95855360e-04] [-6.43558539e-04 -8.71105185e-04 -1.45291751e-03] [ 7.18895065e-04 6.21107894e-04 7.45520764e-04] [ 7.18311988e-04 -6.20756706e-04 -7.44985396e-04] [-6.21706321e-04 2.70657889e-04 1.44922165e-03] [-6.21507705e-04 -2.70643847e-04 -1.44918394e-03] [ 5.52174577e-04 4.21460951e-04 -5.96965598e-04] [-5.19707280e-04 6.95164612e-04 -9.09021533e-04] [ 5.51529449e-04 -4.20913732e-04 5.97370123e-04] [-5.18656349e-04 -6.94309715e-04 9.08332181e-04] [-1.89053488e-04 -3.45754156e-04 3.71533800e-04] [-2.77189118e-04 3.00526861e-05 -8.92198333e-04] [-2.79356235e-04 -2.81050468e-05 8.90884233e-04] [-1.90263188e-04 3.45525283e-04 -3.71439548e-04] [ 3.95860120e-04 4.45286682e-04 7.10571772e-04] [-9.87364199e-05 -3.31176578e-04 1.86857289e-04] [-1.01666489e-04 3.33867378e-04 -1.90501857e-04] [ 3.96211848e-04 -4.44376215e-04 -7.09386663e-04]] Final stress: [ 1.91730971e-04 -8.21157835e-05 -8.38453185e-05 -8.25639454e-06 6.38674163e-10 -5.40501989e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 4.04868982e-05 -2.63474628e-04 -8.36474425e-05] [-5.99999791e-05 -3.19288936e-04 -1.89718617e-05] [-3.90077225e-05 -2.65004686e-04 8.50738987e-05] [ 5.69539785e-05 -3.16177057e-04 2.20224624e-05] [ 3.02747407e-04 3.81874948e-04 2.81230092e-04] [ 3.41167860e-04 -1.89995570e-04 -2.95582203e-05] [-3.03095099e-04 3.82427348e-04 -2.81686826e-04] [-3.40748910e-04 -1.90633438e-04 2.90323520e-05] [-2.49069051e-04 2.31871929e-04 -9.10369057e-05] [ 5.06261334e-04 2.30744974e-04 -2.64859490e-04] [-5.06460269e-04 2.30730642e-04 2.64895070e-04] [ 2.49642419e-04 2.31565753e-04 9.15361524e-05] [ 1.35826386e-04 1.42039790e-04 -2.73722766e-04] [-1.36080265e-04 1.42299425e-04 2.73546144e-04] [ 3.82274468e-04 -3.19604887e-04 -2.83260764e-04] [-3.82170542e-04 -3.19589518e-04 2.83175766e-04] [-3.24504738e-04 5.32709424e-05 8.59620460e-05] [-1.04297595e-04 6.34248584e-05 3.40890254e-05] [ 3.24205292e-04 5.42855209e-05 -8.61324087e-05] [ 1.04992810e-04 6.20653533e-05 -3.51418054e-05] [ 1.47685209e-04 3.00527513e-05 -1.99822682e-04] [ 8.12539023e-05 -4.08813227e-05 1.36172400e-04] [-1.48953372e-04 3.03793431e-05 1.98860030e-04] [-7.91104211e-05 -4.23835339e-05 -1.37754266e-04]] Final stress: [-6.08481722e-05 2.92780914e-05 2.91039581e-05 1.07167848e-10 8.32922232e-06 -4.85470018e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 4.94786500e-05 2.95129502e-04 -2.84556952e-05] [-2.68896993e-05 2.66524074e-04 -9.20897816e-05] [-5.26500855e-05 2.98360754e-04 2.52484224e-05] [ 2.71006136e-05 2.66283329e-04 9.19494444e-05] [-3.22354803e-04 1.78838205e-04 -3.15445019e-05] [-2.76520708e-04 -3.47991252e-04 2.71530451e-04] [ 3.22734190e-04 1.78262272e-04 3.20105785e-05] [ 2.76304112e-04 -3.47631312e-04 -2.71232281e-04] [ 4.71267874e-04 -2.36667974e-04 2.31811767e-04] [-2.43863274e-04 -2.23718614e-04 8.64965907e-05] [ 2.44472291e-04 -2.23348562e-04 -8.70846722e-05] [-4.71210874e-04 -2.36818115e-04 -2.31586881e-04] [ 3.43143365e-04 2.92324028e-04 2.64766992e-04] [-3.43195667e-04 2.92482909e-04 -2.64779287e-04] [ 1.33638479e-04 -1.50734685e-04 2.71932655e-04] [-1.33920149e-04 -1.51072758e-04 -2.71744652e-04] [ 9.90995435e-05 -4.13104669e-05 1.92753691e-05] [ 3.09373269e-04 -3.44616055e-05 8.62320224e-05] [-9.83337930e-05 -4.25519118e-05 -1.80355022e-05] [-3.09347793e-04 -3.38769992e-05 -8.65882239e-05] [-6.67761841e-05 3.72047573e-05 1.23800590e-04] [-1.29647269e-04 -3.50924344e-05 -1.79943500e-04] [ 6.88807803e-05 3.54083734e-05 -1.22258410e-04] [ 1.29217133e-04 -3.55415143e-05 1.80288507e-04]] Final stress: [-5.88787264e-05 2.84579221e-05 2.82956083e-05 2.78678754e-10 -8.22198404e-06 3.06842054e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 5.33676797e-04 -7.34667594e-04 2.85545826e-04] [ 2.14208656e-04 -8.43674080e-04 4.33294993e-04] [-5.32822985e-04 -7.35527291e-04 -2.84657473e-04] [-2.13249561e-04 -8.44644480e-04 -4.34289028e-04] [ 8.83766419e-04 3.33670460e-04 9.51719787e-04] [ 6.48512193e-04 -3.44370656e-04 7.03585768e-04] [-8.83789966e-04 3.33688252e-04 -9.51736698e-04] [-6.48579794e-04 -3.44271880e-04 -7.03511401e-04] [-2.70736218e-05 9.17038984e-04 5.42866959e-04] [ 1.28770144e-03 6.41864675e-04 -1.58040733e-03] [-1.28791610e-03 6.41694187e-04 1.58067955e-03] [ 2.68695548e-05 9.17194599e-04 -5.43110350e-04] [ 9.30634858e-04 5.31921304e-04 -2.75817669e-04] [-9.30557239e-04 5.31786277e-04 2.75867680e-04] [ 1.39550277e-04 -5.84633972e-04 -5.91043350e-04] [-1.39438410e-04 -5.84474906e-04 5.90977193e-04] [-6.52469375e-04 -8.45538157e-07 -1.38834258e-04] [-6.87028250e-04 3.81474507e-04 -3.63001123e-04] [ 6.52242142e-04 -7.03156168e-07 1.38331520e-04] [ 6.86781520e-04 3.81731950e-04 3.63497130e-04] [-4.30063581e-05 2.47042769e-04 4.06793175e-04] [-5.23072416e-04 -5.44853197e-04 4.33294168e-04] [ 4.25284501e-05 2.47717444e-04 -4.07135665e-04] [ 5.22531772e-04 -5.44158655e-04 -4.32909402e-04]] Final stress: [ 1.93271866e-04 -8.24301232e-05 -8.42164112e-05 -1.68220782e-10 8.88531997e-06 -5.36269264e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-1.72722295e-04 8.73170135e-04 4.65391000e-04] [-5.32792391e-04 7.08371591e-04 2.81448708e-04] [ 1.73914076e-04 8.71966864e-04 -4.64146530e-04] [ 5.34338922e-04 7.06807315e-04 -2.83043378e-04] [-6.39217027e-04 3.25895982e-04 6.95796702e-04] [-9.15282754e-04 -4.62523022e-04 1.01142536e-03] [ 6.39133192e-04 3.26025325e-04 -6.95887461e-04] [ 9.15165883e-04 -4.62355209e-04 -1.01129336e-03] [ 1.38335055e-03 -5.36338716e-04 1.70276431e-03] [ 6.24053746e-05 -9.27540450e-04 -5.91636410e-04] [-6.26307059e-05 -9.27727876e-04 5.91912223e-04] [-1.38366674e-03 -5.36102993e-04 -1.70312574e-03] [ 2.38865333e-04 6.80375925e-04 6.49893789e-04] [-2.38628324e-04 6.80086816e-04 -6.49753000e-04] [ 8.89508626e-04 -4.56971283e-04 2.96947996e-04] [-8.89345171e-04 -4.56735760e-04 -2.97044267e-04] [ 7.33246145e-04 -4.14706620e-04 -4.14188903e-04] [ 5.75516661e-04 -5.32214791e-05 -6.59788593e-05] [-7.33610598e-04 -4.14461621e-04 4.13581412e-04] [-5.75963300e-04 -5.28528145e-05 6.67186662e-05] [ 4.99804055e-04 5.22628450e-04 5.37877707e-04] [-4.60919113e-05 -2.59269865e-04 3.90022882e-04] [-5.00453980e-04 5.23605035e-04 -5.38349298e-04] [ 4.51563846e-05 -2.58125729e-04 -3.89333549e-04]] Final stress: [ 1.90878538e-04 -8.18209609e-05 -8.35488870e-05 -4.29904030e-10 -8.90509818e-06 1.04486927e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 1.84968632e-05 8.87706713e-06 -3.15032337e-04] [-1.63509155e-05 -6.81629639e-06 -3.17109079e-04] [-5.66123203e-05 1.51965422e-05 -2.19521066e-04] [ 5.39767664e-05 -1.26416059e-05 -2.16937000e-04] [-2.70590672e-04 1.43090322e-04 5.05495958e-05] [ 2.70772153e-04 -1.42791396e-04 5.01335874e-05] [-2.46864000e-04 3.48017015e-04 -2.04205517e-04] [ 2.46704585e-04 -3.47744520e-04 -2.03810869e-04] [ 2.53645532e-04 2.79396380e-04 1.50972412e-04] [-5.78408355e-05 2.97951204e-04 6.91220802e-06] [-2.53736333e-04 -2.79491574e-04 1.51094968e-04] [ 5.80485638e-05 -2.98137527e-04 7.17957398e-06] [ 6.50597942e-05 -1.30438392e-04 2.19278505e-04] [-3.95634294e-04 5.57815210e-04 2.10628679e-04] [ 3.96212720e-04 -5.58274989e-04 2.10253858e-04] [-6.56847639e-05 1.29902469e-04 2.19681841e-04] [-6.47582469e-05 -2.15196832e-04 8.48684781e-05] [ 6.36124502e-05 2.14611682e-04 8.52443019e-05] [ 1.20823729e-04 2.06456174e-04 -7.14978454e-06] [-1.19554128e-04 -2.07149064e-04 -7.80148569e-06] [-1.29781837e-04 1.28855628e-04 -1.84820469e-05] [ 1.28969749e-04 -1.29988028e-04 -1.68172250e-05] [-1.88559232e-04 -6.40603173e-05 4.09632640e-05] [ 1.89644671e-04 6.25608494e-05 3.91051371e-05]] Final stress: [-5.75325856e-05 2.76522309e-05 2.75310167e-05 3.28120843e-11 -5.34363855e-10 8.11321102e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 8.46370800e-05 4.84161045e-05 2.42245778e-04] [-8.36714442e-05 -4.74752469e-05 2.41292853e-04] [-5.26040806e-06 -5.21856741e-06 3.40381090e-04] [ 4.69189561e-06 5.75816495e-06 3.40922783e-04] [ 2.44854017e-04 3.53847817e-04 1.90245299e-04] [-2.44814674e-04 -3.53778896e-04 1.90132294e-04] [ 2.81851725e-04 1.63278191e-04 -4.98145428e-05] [-2.81915118e-04 -1.63176032e-04 -4.96761094e-05] [-2.49491875e-05 -2.95748769e-04 3.49547440e-06] [ 2.61462940e-04 -2.98895814e-04 -1.67919479e-04] [ 2.48632191e-05 2.95673614e-04 3.60304503e-06] [-2.61463115e-04 2.98887875e-04 -1.67915851e-04] [ 3.95799074e-04 5.57837714e-04 -2.24820765e-04] [-6.92271141e-05 -1.39833795e-04 -2.23187120e-04] [ 6.94526705e-05 1.39634084e-04 -2.23330410e-04] [-3.95975190e-04 -5.57967513e-04 -2.24706832e-04] [-1.15261090e-04 1.91713910e-04 -1.22105382e-05] [ 1.14809644e-04 -1.91957786e-04 -1.19423293e-05] [ 5.80364678e-05 -2.05354312e-04 -1.09775034e-04] [-5.76948417e-05 2.05198583e-04 -1.09834872e-04] [ 1.85896406e-04 -8.18437979e-05 -2.34200535e-05] [-1.86310473e-04 8.12725980e-05 -2.27767466e-05] [ 1.30243965e-04 1.25509153e-04 3.47463762e-05] [-1.30056449e-04 -1.25777277e-04 3.42656900e-05]] Final stress: [-5.84727597e-05 2.77793835e-05 2.76523207e-05 -4.30146441e-11 -1.51105987e-10 -7.99315948e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 3.96387364e-05 3.73947974e-04 -4.99594608e-04] [-3.82872386e-05 -3.72703978e-04 -5.00827942e-04] [-2.62397110e-04 -2.74749954e-04 -1.19889528e-03] [ 2.58250945e-04 2.78811640e-04 -1.19475684e-03] [-2.99937705e-04 7.24636533e-04 8.25285542e-04] [ 3.00183163e-04 -7.24256865e-04 8.24777746e-04] [-5.31809875e-04 -5.23355910e-05 -8.22336924e-04] [ 5.31645873e-04 5.26484782e-05 -8.21890118e-04] [ 7.40319742e-04 8.85706804e-04 1.02456460e-03] [ 5.31378495e-04 6.01461411e-04 -1.09861384e-03] [-7.40137722e-04 -8.85592615e-04 1.02434138e-03] [-5.30827373e-04 -6.01916398e-04 -1.09790671e-03] [ 2.12041441e-05 -4.53204670e-05 9.34592307e-04] [-1.02866470e-03 1.15506829e-03 6.36425013e-04] [ 1.02924135e-03 -1.15543953e-03 6.36047829e-04] [-2.19642557e-05 4.45716893e-05 9.35090080e-04] [ 1.71125584e-04 -8.40838572e-04 -3.21211533e-05] [-1.72173392e-04 8.40394377e-04 -3.23747190e-05] [ 1.02290933e-04 4.74060829e-04 4.61889685e-04] [-1.00603509e-04 -4.75111025e-04 4.60450654e-04] [ 2.38848047e-04 1.21438552e-04 3.10111337e-04] [-2.39183547e-04 -1.21928704e-04 3.11616511e-04] [-2.42051347e-04 6.55137592e-04 -5.41654164e-04] [ 2.43910766e-04 -6.57690469e-04 -5.44220393e-04]] Final stress: [ 1.93294019e-04 -8.25664736e-05 -8.43014664e-05 9.01393244e-11 -6.34723279e-10 8.81007650e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 2.61550149e-04 -2.88976025e-04 1.20342125e-03] [-2.65351857e-04 2.85228111e-04 1.20724305e-03] [-4.17495713e-05 3.84215247e-04 4.86767779e-04] [ 4.19779237e-05 -3.84355201e-04 4.86654580e-04] [ 5.47914976e-04 -5.91416965e-05 8.49604535e-04] [-5.47954108e-04 5.90427372e-05 8.49836587e-04] [ 3.03374239e-04 7.17459415e-04 -8.44856100e-04] [-3.03135368e-04 -7.17827081e-04 -8.45295088e-04] [ 5.44230062e-04 -5.86187470e-04 1.08882617e-03] [ 7.69305088e-04 -8.82737691e-04 -1.06850978e-03] [-5.43711195e-04 5.86611727e-04 1.08818434e-03] [-7.69027069e-04 8.82541046e-04 -1.06817987e-03] [ 1.04650752e-03 1.16395928e-03 -6.16699424e-04] [-1.23474145e-05 -4.77980041e-05 -9.46895483e-04] [ 1.16277177e-05 4.85271961e-05 -9.46438217e-04] [-1.04619679e-03 -1.16383489e-03 -6.16908515e-04] [-8.46037711e-05 5.06124183e-04 -4.30585139e-04] [ 8.61164259e-05 -5.05198436e-04 -4.31976490e-04] [-2.13732671e-04 -8.62183881e-04 2.95600014e-05] [ 2.13184053e-04 8.62318730e-04 2.90336885e-05] [ 2.67714362e-04 6.67971323e-04 5.49534077e-04] [-2.65910447e-04 -6.65507011e-04 5.47325134e-04] [-2.34723202e-04 9.93351558e-05 -3.00201540e-04] [ 2.34940955e-04 -9.95867684e-05 -2.99445545e-04]] Final stress: [ 1.93999965e-04 -8.26130137e-05 -8.43607345e-05 3.86579857e-10 4.02147475e-10 -8.80659820e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.22029185e-04 -3.73509357e-04 -6.94581673e-05] [ 1.22072347e-04 3.73551623e-04 -6.95009230e-05] [ 1.22030039e-04 -3.73509816e-04 6.94597181e-05] [-1.22042558e-04 3.73521278e-04 6.94707952e-05] [ 2.28454013e-05 2.34250543e-05 7.65611612e-05] [-2.28475489e-05 -2.34291077e-05 7.65618626e-05] [-2.28428999e-05 2.34205718e-05 -7.65578205e-05] [ 2.28416923e-05 -2.34191075e-05 -7.65542243e-05] [ 1.94018876e-05 2.39072884e-04 2.49357391e-04] [ 1.94043852e-05 -2.39074055e-04 -2.49358511e-04] [-1.94057105e-05 -2.39076126e-04 2.49361717e-04] [-1.94070436e-05 2.39075850e-04 -2.49361861e-04] [-1.32334074e-04 1.33998212e-04 -1.20084143e-05] [ 1.32335341e-04 1.33996110e-04 1.20094177e-05] [-1.32322678e-04 -1.34006969e-04 1.20018961e-05] [ 1.32325546e-04 -1.34003561e-04 -1.20033158e-05] [ 3.82372721e-05 1.06750214e-04 1.18472399e-04] [-3.82590135e-05 -1.06758317e-04 1.18486540e-04] [-3.82391867e-05 1.06743548e-04 -1.18477279e-04] [ 3.82527330e-05 -1.06743686e-04 -1.18477539e-04] [ 3.06585274e-04 2.48634262e-04 -2.65176438e-05] [-3.06603626e-04 -2.48659329e-04 -2.64916589e-05] [-3.06582924e-04 2.48642718e-04 2.65187558e-05] [ 3.06584529e-04 -2.48642897e-04 2.65057033e-05]] Final stress: [ 2.82772916e-05 -5.62067740e-05 2.75716908e-05 -6.69264915e-12 -1.18446256e-12 -6.02681082e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.20436322e-05 1.17083138e-04 -1.42842192e-04] [ 2.20477007e-05 -1.17079176e-04 -1.42846205e-04] [ 2.20429731e-05 1.17083808e-04 1.42841641e-04] [-2.20441165e-05 -1.17082798e-04 1.42842608e-04] [ 4.45821874e-05 -1.67264531e-04 -9.30623047e-05] [-4.45816551e-05 1.67265600e-04 -9.30632857e-05] [-4.45821058e-05 -1.67264647e-04 9.30625714e-05] [ 4.45826559e-05 1.67263496e-04 9.30619679e-05] [-1.65148750e-05 -1.16631085e-04 -2.69601540e-04] [-1.65138908e-05 1.16630400e-04 2.69600299e-04] [ 1.65144633e-05 1.16630668e-04 -2.69600897e-04] [ 1.65133340e-05 -1.16629978e-04 2.69599412e-04] [ 1.16408955e-04 -1.04579949e-04 5.62696898e-05] [-1.16408322e-04 -1.04580385e-04 -5.62693108e-05] [ 1.16408684e-04 1.04579971e-04 -5.62695364e-05] [-1.16410851e-04 1.04578648e-04 5.62706986e-05] [-3.68826428e-06 -5.16628369e-05 -4.57526829e-06] [ 3.68635260e-06 5.16620393e-05 -4.57281275e-06] [ 3.68883176e-06 -5.16621841e-05 4.57489716e-06] [-3.68707576e-06 5.16620503e-05 4.57620563e-06] [-6.24229046e-05 -1.83761916e-04 2.05390197e-04] [ 6.24214524e-05 1.83760463e-04 2.05392367e-04] [ 6.24242786e-05 -1.83763217e-04 -2.05389013e-04] [-6.24241757e-05 1.83762420e-04 -2.05390187e-04]] Final stress: [-3.47725619e-05 4.36857127e-05 -3.45395153e-05 1.55098565e-12 1.16458922e-12 4.37626898e-12] Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 2.19372870e-04 6.48094129e-05 2.95434532e-05] [ 3.18023671e-04 -1.39513706e-05 1.87854437e-06] [ 3.18927335e-04 1.30466942e-05 -9.89651692e-07] [ 2.19200607e-04 -6.46103346e-05 -2.93668178e-05] [-2.10329552e-04 4.00109925e-04 5.38184849e-04] [-2.15893150e-04 -6.75487981e-05 -1.35624392e-04] [-2.15962762e-04 6.76547867e-05 1.35564011e-04] [-2.10219254e-04 -4.00282163e-04 -5.38354431e-04] [ 1.87219543e-04 2.36393820e-04 3.38256644e-04] [ 1.87110479e-04 -2.36338617e-04 -3.38171809e-04] [-5.75054766e-05 2.70714036e-04 1.53762817e-04] [-5.74275092e-05 -2.70737380e-04 -1.53715957e-04] [-7.74549068e-06 -3.33277402e-05 -2.95697865e-04] [-1.58855608e-04 2.37050517e-04 -2.82152654e-04] [-7.80512508e-06 3.33778345e-05 2.95731235e-04] [-1.58705506e-04 -2.36931234e-04 2.82054141e-04] [ 1.09246798e-05 -9.76487496e-05 1.90277883e-04] [-9.51222778e-05 6.48405400e-05 -2.13738798e-04] [-9.54399765e-05 -6.44730493e-05 2.13513622e-04] [ 1.08443051e-05 9.74587482e-05 -1.90347418e-04] [-3.43356368e-05 1.96289395e-04 -8.36773541e-05] [ 4.41690401e-05 1.28296537e-04 1.18744234e-04] [ 4.36228198e-05 -1.27881052e-04 -1.19312388e-04] [-3.40680257e-05 -1.96311759e-04 8.36381047e-05]] Final stress: [ 2.70158715e-05 -5.76326710e-05 2.71358846e-05 -7.97365909e-06 4.76158261e-11 -1.23613835e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-4.99644967e-04 3.58375877e-05 3.74536611e-04] [-1.20361569e-03 -2.61076415e-04 -2.78618725e-04] [-1.20374973e-03 2.61186523e-04 2.78493331e-04] [-5.00399760e-04 -3.50917374e-05 -3.73797825e-04] [ 9.32695772e-04 7.49432894e-06 -5.20133247e-05] [ 6.30694253e-04 -1.04545830e-03 1.15069000e-03] [ 6.30613399e-04 1.04558611e-03 -1.15082783e-03] [ 9.32720932e-04 -7.53108082e-06 5.20153478e-05] [ 8.54959181e-04 -3.06886333e-04 7.21387034e-04] [ 8.54928926e-04 3.06885837e-04 -7.21379387e-04] [-8.17953635e-04 -5.32782450e-04 -6.32680287e-05] [-8.17879413e-04 5.32739147e-04 6.33320893e-05] [ 1.03668177e-03 7.58619818e-04 8.74081857e-04] [-1.10767275e-03 5.41417515e-04 5.90271043e-04] [ 1.03682710e-03 -7.58736863e-04 -8.74176179e-04] [-1.10776969e-03 -5.41497339e-04 -5.90212066e-04] [-6.45235696e-05 1.87661208e-04 -8.66296141e-04] [ 4.37744316e-04 9.27095503e-05 4.65363684e-04] [ 4.37910879e-04 -9.26583919e-05 -4.65352181e-04] [-6.42201646e-05 -1.87937276e-04 8.66118695e-04] [ 3.38018578e-04 2.50030260e-04 1.18549901e-04] [-5.37363995e-04 -2.84121667e-04 6.61610168e-04] [-5.37426006e-04 2.84005633e-04 -6.61460599e-04] [ 3.38424252e-04 -2.50395662e-04 -1.19047472e-04]] Final stress: [-8.42298326e-05 1.93876633e-04 -8.24874770e-05 9.02132146e-06 -8.05061783e-11 -6.21074214e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 1.19339310e-03 2.53407444e-04 -2.91415243e-04] [ 4.78180314e-04 -5.21738414e-05 3.95625793e-04] [ 4.83038108e-04 4.71250017e-05 -3.90804119e-04] [ 1.18612967e-03 -2.46044589e-04 2.98568627e-04] [-6.04016922e-04 1.07511596e-03 1.18071813e-03] [-9.36302625e-04 -6.19813993e-06 -6.22580289e-05] [-9.37362706e-04 7.83011761e-06 6.08075956e-05] [-6.03040360e-04 -1.07662665e-03 -1.18187742e-03] [ 8.43185155e-04 5.47330880e-04 -4.90435486e-05] [ 8.42156495e-04 -5.46921059e-04 4.97632602e-05] [-8.39643558e-04 2.94794235e-04 7.35930624e-04] [-8.38587373e-04 -2.95254389e-04 -7.35187909e-04] [ 1.06957456e-03 5.18881915e-04 -5.97713697e-04] [-1.07974747e-03 7.78408642e-04 -8.93255043e-04] [ 1.07047133e-03 -5.19577163e-04 5.97112028e-04] [-1.07965666e-03 -7.78343857e-04 8.93142076e-04] [-4.40542273e-04 -1.16126143e-04 4.59821357e-04] [ 5.46291182e-05 -1.80739443e-04 -8.54769253e-04] [ 5.40182329e-05 1.83644233e-04 8.53374460e-04] [-4.38487482e-04 1.12716402e-04 -4.61714520e-04] [ 5.48646317e-04 2.79267380e-04 6.69038416e-04] [-2.87771853e-04 -2.18921024e-04 9.71712243e-05] [-2.91913028e-04 2.20746031e-04 -9.97370500e-05] [ 5.53649912e-04 -2.82341943e-04 -6.73297753e-04]] Final stress: [-8.38478114e-05 1.94038865e-04 -8.21079988e-05 -8.69744148e-06 -2.84187373e-11 -1.28044231e-09] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-7.60405498e-05 -2.55412415e-04 -2.36762958e-05] [ 3.30260756e-05 -3.33638040e-04 5.85761110e-05] [ 7.37506333e-05 -2.53113494e-04 2.12576861e-05] [-3.72669898e-05 -3.29335493e-04 -5.42241969e-05] [ 2.95665125e-04 3.28226792e-04 3.61632877e-04] [ 2.97963036e-04 -1.48876420e-04 5.94053919e-05] [-2.95641714e-04 3.28227554e-04 -3.61646278e-04] [-2.97594036e-04 -1.49419714e-04 -5.98348609e-05] [-2.30969940e-04 2.07262816e-04 8.27176378e-05] [ 4.79132633e-04 2.50329679e-04 -4.27970871e-04] [-4.78582234e-04 2.50820298e-04 4.27218278e-04] [ 2.31836717e-04 2.06647213e-04 -8.17589552e-05] [-2.76597912e-05 5.67029463e-05 -2.65687822e-04] [ 2.71955227e-05 5.73235272e-05 2.65398815e-04] [ 1.77933543e-04 -1.70320674e-04 -2.53141485e-04] [-1.78269063e-04 -1.70840364e-04 2.53330591e-04] [-1.57273114e-04 -4.96978435e-05 2.66703030e-06] [-2.56488488e-04 1.35621680e-04 -3.66459847e-05] [ 1.57959570e-04 -4.98955566e-05 -1.20390010e-06] [ 2.57602580e-04 1.34366585e-04 3.46745544e-05] [ 7.58282528e-05 2.98213542e-05 -1.28907455e-04] [ 1.45221255e-04 -4.98182303e-05 1.70851206e-04] [-7.46980927e-05 2.77172655e-05 1.29702834e-04] [-1.42630932e-04 -5.26994673e-05 -1.72734907e-04]] Final stress: [ 2.82844985e-05 -5.89210143e-05 2.84417267e-05 7.40539546e-10 8.11959088e-06 -1.73426108e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-1.98439823e-05 3.31426868e-04 4.14326668e-05] [ 5.18719477e-05 2.25914738e-04 2.70593633e-06] [ 2.37851510e-05 3.27412563e-04 -3.74389934e-05] [-5.19425477e-05 2.26017251e-04 -2.72594140e-06] [-3.06229766e-04 1.74815677e-04 8.87304166e-05] [-3.37284446e-04 -3.70474545e-04 4.12916978e-04] [ 3.05781117e-04 1.75490023e-04 -8.92785596e-05] [ 3.37515722e-04 -3.70856556e-04 -4.13239416e-04] [ 5.07523183e-04 -2.09971639e-04 4.78367133e-04] [-2.00972243e-04 -2.01902813e-04 -8.68316469e-05] [ 2.00198897e-04 -2.02380903e-04 8.75926945e-05] [-5.07610230e-04 -2.09778127e-04 -4.78652947e-04] [ 2.24002747e-04 2.11180635e-04 2.68409879e-04] [-2.23938457e-04 2.10974719e-04 -2.68392192e-04] [-2.94790964e-05 -8.72021712e-06 2.84820644e-04] [ 2.98617879e-05 -8.26918509e-06 -2.85071709e-04] [ 2.46596318e-04 -1.70235637e-04 -2.42180587e-05] [ 1.45481366e-04 4.81724484e-05 2.99171118e-05] [-2.47560788e-04 -1.68755185e-04 2.26380001e-05] [-1.45562742e-04 4.75506160e-05 -2.94233413e-05] [-1.68077825e-04 1.59018033e-05 2.51643154e-04] [-1.11978981e-04 -4.61780557e-05 -1.48399524e-04] [ 1.65468277e-04 1.81850694e-05 -2.53559086e-04] [ 1.12394591e-04 -4.55195481e-05 1.48056802e-04]] Final stress: [ 2.87107813e-05 -5.92987922e-05 2.88694578e-05 -3.95397978e-10 -8.33886474e-06 -4.35396841e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 7.58867306e-04 -6.32948897e-04 -3.20330205e-05] [-5.40979618e-06 -9.68712364e-04 1.43969808e-04] [-7.53355158e-04 -6.38503759e-04 3.77439535e-05] [ 1.13968082e-05 -9.74756026e-04 -1.50152012e-04] [ 8.81047850e-04 5.28685101e-04 6.77916234e-04] [ 5.30294623e-04 -5.50950549e-04 4.49203617e-04] [-8.81329838e-04 5.29048985e-04 -6.78196088e-04] [-5.30683646e-04 -5.50407773e-04 -4.48784463e-04] [ 2.05304208e-04 9.15351378e-04 -1.69339616e-04] [ 1.51312613e-03 6.67416102e-04 -8.58379240e-04] [-1.51436422e-03 6.66432223e-04 8.59910697e-04] [-2.06591648e-04 9.16344676e-04 1.67796921e-04] [ 1.49164467e-03 6.55399011e-04 -3.11247733e-04] [-1.49096579e-03 6.54411800e-04 3.11655349e-04] [ 7.45509972e-04 -7.02247763e-04 -6.14914207e-04] [-7.44822482e-04 -7.01256319e-04 6.14509559e-04] [-9.21638775e-04 2.44461614e-04 -3.82835685e-05] [-4.22824319e-04 1.50666012e-04 -3.33811868e-04] [ 9.20123018e-04 2.45584513e-04 3.52834575e-05] [ 4.21208202e-04 1.52101981e-04 3.36902683e-04] [ 1.37209526e-04 1.02612822e-04 3.91688032e-04] [-7.62684066e-04 -4.10040567e-04 4.31073429e-04] [-1.40308577e-04 1.06896763e-04 -3.93908965e-04] [ 7.59245995e-04 -4.05588964e-04 -4.28602959e-04]] Final stress: [-8.45933821e-05 1.94652790e-04 -8.28107988e-05 -1.18425984e-09 8.15362776e-06 -1.89689388e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 1.20291184e-06 9.59988717e-04 1.41033008e-04] [-7.51002829e-04 6.27567738e-04 -1.55673889e-05] [ 7.15053719e-08 9.58629466e-04 -1.39919515e-04] [ 7.43301239e-04 6.35411139e-04 2.33261860e-05] [-5.59527750e-04 5.52887940e-04 4.45558446e-04] [-8.98721617e-04 -5.39620296e-04 6.92057072e-04] [ 5.58918342e-04 5.53885670e-04 -4.46384568e-04] [ 8.99728709e-04 -5.41169506e-04 -6.93304927e-04] [ 1.50490298e-03 -6.43842553e-04 8.65849818e-04] [ 2.12085178e-04 -9.07840924e-04 1.54298681e-04] [-2.12107403e-04 -9.07576320e-04 -1.54677939e-04] [-1.50350069e-03 -6.44658515e-04 -8.64559790e-04] [ 7.40778924e-04 7.14645929e-04 6.16282676e-04] [-7.41455488e-04 7.15430552e-04 -6.16737898e-04] [ 1.47880857e-03 -6.37590441e-04 2.99240363e-04] [-1.47893661e-03 -6.37940400e-04 -2.99219432e-04] [ 4.04926059e-04 -1.39188486e-04 -3.34456292e-04] [ 8.94566794e-04 -2.58669640e-04 -2.60474558e-05] [-4.05013184e-04 -1.37443348e-04 3.34984538e-04] [-8.92695274e-04 -2.61848317e-04 2.32285412e-05] [ 7.30353973e-04 3.86094330e-04 4.21849885e-04] [-1.43677824e-04 -1.14171894e-04 3.52399108e-04] [-7.31867897e-04 3.85409688e-04 -4.23020393e-04] [ 1.48861369e-04 -1.18390529e-04 -3.56212727e-04]] Final stress: [-8.40003980e-05 1.93410099e-04 -8.22389899e-05 7.26759602e-10 -8.40310287e-06 -6.78021943e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-7.38202175e-05 3.69368515e-05 -2.56025665e-04] [ 7.30522221e-05 -3.76784875e-05 -2.55276372e-04] [ 4.04609257e-05 3.34671349e-05 -2.83479495e-04] [-3.96917984e-05 -3.42098619e-05 -2.84230002e-04] [-2.54455773e-04 1.33525463e-04 1.36919292e-04] [ 2.54402062e-04 -1.33615645e-04 1.37048239e-04] [-2.49348630e-04 3.23682088e-04 -2.65884777e-04] [ 2.49403655e-04 -3.23774717e-04 -2.66015657e-04] [ 2.61904182e-04 2.61561374e-04 3.15888392e-04] [-3.61838286e-05 3.02562247e-04 -1.76122071e-04] [-2.61857355e-04 -2.61517247e-04 3.15827905e-04] [ 3.61349611e-05 -3.02516410e-04 -1.76185934e-04] [-9.64558100e-05 -2.38747069e-04 2.17540088e-04] [-2.30796858e-04 4.40447151e-04 2.30607000e-04] [ 2.30601509e-04 -4.40285538e-04 2.30733335e-04] [ 9.66490488e-05 2.38907353e-04 2.17414909e-04] [ 6.60866746e-05 -3.16282849e-04 2.90682043e-05] [-6.56966691e-05 3.16487456e-04 2.89049822e-05] [-3.68179504e-05 1.40167062e-04 4.80432605e-05] [ 3.64294252e-05 -1.39962604e-04 4.82106010e-05] [-1.90527979e-04 1.12387227e-04 1.66013588e-05] [ 1.90832479e-04 -1.11964104e-04 1.60344048e-05] [-1.10460482e-04 -5.43223617e-05 -1.30939205e-05] [ 1.10156208e-04 5.47454885e-05 -1.25280770e-05]] Final stress: [ 2.74866449e-05 -5.83250061e-05 2.76424987e-05 4.43806499e-12 1.64786968e-10 8.04698159e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-7.72608716e-06 7.04373268e-05 3.32662120e-04] [ 8.18739361e-06 -7.00327305e-05 3.32267748e-04] [ 9.84749554e-05 2.48595356e-05 2.83119764e-04] [-1.00745487e-04 -2.26264257e-05 2.85390445e-04] [ 2.85423944e-04 3.99186113e-04 3.23920428e-04] [-2.85279754e-04 -3.98961071e-04 3.23640905e-04] [ 2.74272811e-04 1.41100069e-04 -1.47844289e-04] [-2.74316203e-04 -1.41010349e-04 -1.47669253e-04] [-3.26321068e-05 -3.43634312e-04 1.92602878e-04] [ 3.04157300e-04 -3.08674700e-04 -3.92633956e-04] [ 3.27541604e-05 3.43715572e-04 1.92460606e-04] [-3.03874340e-04 3.08439757e-04 -3.92282405e-04] [ 2.89035001e-04 5.10840536e-04 -2.32387975e-04] [ 9.65966289e-05 -2.48203573e-04 -2.32984892e-04] [-9.63480955e-05 2.48066268e-04 -2.33149334e-04] [-2.89490402e-04 -5.11283569e-04 -2.32099079e-04] [ 2.32857254e-05 1.03865368e-04 -7.18270876e-05] [-2.37425888e-05 -1.04024127e-04 -7.20204055e-05] [-9.76367657e-05 -3.09623284e-04 -5.83521102e-05] [ 9.85796923e-05 3.09063449e-04 -5.91315368e-05] [ 1.35614471e-04 -8.93612473e-05 3.04524294e-05] [-1.35640046e-04 8.92990734e-05 3.10899700e-05] [ 2.07463202e-04 1.59276372e-04 -2.69270936e-05] [-2.06413408e-04 -1.60714052e-04 -2.82978757e-05]] Final stress: [ 2.95909811e-05 -6.14648933e-05 2.97689237e-05 1.80966392e-10 -2.73554698e-10 -8.35094105e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 2.72481800e-04 5.31219899e-04 -7.49586720e-04] [-2.69399729e-04 -5.28096157e-04 -7.52794852e-04] [-4.77916695e-04 -2.05242744e-04 -8.65843194e-04] [ 4.81666261e-04 2.01475942e-04 -8.69700855e-04] [-2.94346071e-04 9.11994704e-04 5.08926526e-04] [ 2.94122293e-04 -9.12304921e-04 5.09191088e-04] [-6.37969368e-04 1.68594832e-04 -6.05556003e-04] [ 6.37796424e-04 -1.68369922e-04 -6.05407877e-04] [ 9.72889181e-04 8.45893837e-04 3.54788948e-04] [ 7.36096257e-04 6.03678595e-04 -3.34138041e-04] [-9.73618487e-04 -8.46461349e-04 3.55675100e-04] [-7.36871245e-04 -6.03068563e-04 -3.35084222e-04] [ 5.72274708e-04 9.76968571e-06 9.22478037e-04] [-1.64589002e-03 1.35195036e-03 6.19527920e-04] [ 1.64621467e-03 -1.35247050e-03 6.19339626e-04] [-5.71791307e-04 -9.11687733e-06 9.22185742e-04] [-1.22891589e-04 -6.49751976e-04 6.57300474e-07] [ 1.22127112e-04 6.49083878e-04 2.39711120e-06] [ 3.72342576e-04 7.49279959e-04 3.90597674e-04] [-3.73435006e-04 -7.48428301e-04 3.92482185e-04] [ 4.35203901e-04 -2.65507758e-05 2.75185535e-04] [-4.37010460e-04 2.41412088e-05 2.76331382e-04] [-4.46342292e-04 5.49746626e-04 -5.16645354e-04] [ 4.44267085e-04 -5.46967433e-04 -5.15007058e-04]] Final stress: [-8.43299358e-05 1.94405837e-04 -8.25345620e-05 -6.96617517e-10 8.69098323e-11 8.92719367e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 4.26597409e-04 -1.58265383e-04 8.62846292e-04] [-4.29346559e-04 1.55420052e-04 8.65790301e-04] [-2.68730939e-04 5.06982896e-04 6.82039970e-04] [ 2.62708283e-04 -5.00981779e-04 6.88171859e-04] [ 6.65844535e-04 3.24848309e-04 7.55058772e-04] [-6.65487704e-04 -3.24339182e-04 7.54537234e-04] [ 3.06399315e-04 8.53906623e-04 -3.86617500e-04] [-3.06281678e-04 -8.54017464e-04 -3.86578457e-04] [ 6.30045672e-04 -6.72991879e-04 3.26849711e-04] [ 1.05620318e-03 -9.81920563e-04 -5.85393134e-04] [-6.29159548e-04 6.73669211e-04 3.25771944e-04] [-1.05510668e-03 9.81046664e-04 -5.84038541e-04] [ 1.79118125e-03 1.42948156e-03 -4.26667535e-04] [-5.98659949e-04 1.29258598e-04 -9.23204995e-04] [ 5.98580558e-04 -1.28865650e-04 -9.23177105e-04] [-1.79207508e-03 -1.43055004e-03 -4.26112946e-04] [-4.64312158e-04 6.86912229e-04 -4.44750658e-04] [ 4.64656601e-04 -6.86380277e-04 -4.46772410e-04] [ 2.07247932e-05 -4.81830843e-04 -8.72800600e-05] [-1.87381204e-05 4.80416902e-04 -9.00028123e-05] [ 6.50565899e-04 4.31040798e-04 4.91864309e-04] [-6.48738637e-04 -4.28623674e-04 4.91302583e-04] [-3.34432311e-04 1.45043398e-04 -2.65329017e-04] [ 3.37561865e-04 -1.49260502e-04 -2.68307806e-04]] Final stress: [-8.19996457e-05 1.87290902e-04 -8.03565735e-05 7.96847799e-10 -3.98514531e-10 -9.04396487e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-6.71235784e-05 -1.16500058e-04 -3.67958914e-04] [ 6.71232878e-05 1.16499766e-04 -3.67958712e-04] [ 6.71408230e-05 -1.16517772e-04 3.67975970e-04] [-6.71414528e-05 1.16518486e-04 3.67976794e-04] [-1.72442162e-05 -1.36744129e-04 1.25853596e-04] [ 1.72438272e-05 1.36743228e-04 1.25854233e-04] [ 1.72398233e-05 -1.36736846e-04 -1.25859394e-04] [-1.72414181e-05 1.36739747e-04 -1.25857378e-04] [ 8.32573780e-05 2.22925589e-05 2.09006817e-05] [ 8.32545063e-05 -2.22914965e-05 -2.08988315e-05] [-8.32568432e-05 -2.22920813e-05 2.08996677e-05] [-8.32537482e-05 2.22907644e-05 -2.08974496e-05] [ 2.51794781e-04 1.46545151e-05 2.38518737e-04] [-2.51796135e-04 1.46556873e-05 -2.38519737e-04] [ 2.51794842e-04 -1.46547764e-05 -2.38519079e-04] [-2.51792724e-04 -1.46531820e-05 2.38517703e-04] [ 1.28864335e-04 3.66940396e-05 9.03818341e-05] [-1.28863336e-04 -3.66959096e-05 9.03799530e-05] [-1.28868238e-04 3.67040298e-05 -9.03840481e-05] [ 1.28867160e-04 -3.67048178e-05 -9.03859229e-05] [-1.30618249e-05 3.08815722e-04 2.35623248e-04] [ 1.30615567e-05 -3.08817155e-04 2.35623801e-04] [ 1.30485009e-05 3.08823244e-04 -2.35633714e-04] [-1.30473064e-05 -3.08823565e-04 -2.35633039e-04]] Final stress: [ 2.73787030e-05 2.80842857e-05 -5.61970962e-05 -5.66971680e-12 -2.19668931e-12 -4.44136585e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.63642731e-04 -1.99745189e-05 1.19214565e-04] [ 1.63646352e-04 1.99781557e-05 1.19210890e-04] [ 1.63646440e-04 -1.99783715e-05 -1.19210776e-04] [-1.63646490e-04 1.99783580e-05 -1.19210784e-04] [ 4.60363007e-05 1.14153583e-04 -1.27211439e-04] [-4.60359054e-05 -1.14152852e-04 -1.27212104e-04] [-4.60371976e-05 1.14155090e-04 1.27210455e-04] [ 4.60368978e-05 -1.14154720e-04 1.27210822e-04] [-1.17998862e-04 4.56958480e-05 -2.06391317e-04] [-1.17997916e-04 -4.56966867e-05 2.06389795e-04] [ 1.17997978e-04 -4.56964988e-05 -2.06390243e-04] [ 1.17998204e-04 4.56965036e-05 2.06390166e-04] [-3.11382631e-04 -3.28257496e-05 -1.31991721e-04] [ 3.11382889e-04 -3.28260950e-05 1.31991898e-04] [-3.11383160e-04 3.28259999e-05 1.31991918e-04] [ 3.11382640e-04 3.28258222e-05 -1.31991704e-04] [-4.18237558e-07 -1.33806119e-05 -6.26318894e-05] [ 4.17572157e-07 1.33793004e-05 -6.26301023e-05] [ 4.17210326e-07 -1.33780585e-05 6.26311042e-05] [-4.17563148e-07 1.33777306e-05 6.26316165e-05] [ 2.20740479e-04 -6.69064712e-05 -2.13415710e-04] [-2.20742379e-04 6.69042780e-05 -2.13413361e-04] [-2.20742754e-04 -6.69050447e-05 2.13414329e-04] [ 2.20742865e-04 6.69050099e-05 2.13413594e-04]] Final stress: [-3.52570791e-05 -3.55024652e-05 4.46640402e-05 -3.38163605e-14 -2.36378615e-12 1.43488704e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-2.75085480e-04 -1.01582295e-04 1.47728435e-05] [-3.09182031e-04 2.18718316e-05 6.17085380e-05] [-3.10228864e-04 -2.08155003e-05 -6.27398819e-05] [-2.74574771e-04 1.01042368e-04 -1.52829318e-05] [ 2.31956793e-04 -8.54918660e-05 -2.29465995e-04] [ 2.28713404e-04 -2.34528916e-04 4.61706303e-04] [ 2.28831434e-04 2.34346842e-04 -4.61576082e-04] [ 2.31813939e-04 8.57129768e-05 2.29669546e-04] [ 1.44752584e-04 -2.63156795e-04 1.40741961e-04] [ 1.44894809e-04 2.63091620e-04 -1.40845371e-04] [-2.70992638e-04 -2.64908928e-04 3.35937677e-04] [-2.71119907e-04 2.64956432e-04 -3.36023857e-04] [ 3.43213596e-04 2.50608085e-04 2.73289340e-04] [-1.81661078e-04 -2.58281699e-05 3.15732131e-04] [ 3.43231582e-04 -2.50624187e-04 -2.73293696e-04] [-1.81807831e-04 2.57134309e-05 -3.15634563e-04] [ 4.64299503e-05 8.64634367e-05 -3.04572418e-04] [ 5.99713898e-05 -3.47015796e-05 1.18420601e-04] [ 6.02957817e-05 3.42355469e-05 -1.18151644e-04] [ 4.64108049e-05 -8.61203349e-05 3.04728622e-04] [ 9.10408947e-06 -1.95914130e-04 1.30619364e-04] [-2.71351869e-05 -1.15545576e-04 -7.15443308e-05] [-2.64477789e-05 1.15087460e-04 7.21751781e-05] [ 8.61540958e-06 1.96088248e-04 -1.30371333e-04]] Final stress: [ 2.80381106e-05 2.78769403e-05 -5.90065607e-05 8.09227232e-06 -2.05560817e-11 1.70311267e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 2.99354964e-04 -2.50738307e-05 5.18214153e-05] [ 2.58562887e-04 8.66874976e-05 3.35178117e-05] [ 2.57679713e-04 -8.57843322e-05 -3.43913012e-05] [ 3.00166825e-04 2.42391811e-05 -5.26257300e-05] [-2.29424190e-04 2.42137935e-04 4.80920397e-04] [-2.30194752e-04 7.79287216e-05 -2.36139690e-04] [-2.30050523e-04 -7.81532121e-05 2.36321584e-04] [-2.29569989e-04 -2.41911383e-04 -4.80730919e-04] [ 2.86264219e-04 2.66668376e-04 3.45787412e-04] [ 2.86407420e-04 -2.66727485e-04 -3.45885356e-04] [-1.32029776e-04 2.72374283e-04 1.26729328e-04] [-1.32173662e-04 -2.72315646e-04 -1.26828532e-04] [ 1.85719892e-04 -2.44172613e-05 -3.20472837e-04] [-3.37459640e-04 2.58131829e-04 -2.71956181e-04] [ 1.85667748e-04 2.44577220e-05 3.20513228e-04] [-3.37537606e-04 -2.58191949e-04 2.72012040e-04] [-6.26423703e-05 2.63395787e-05 1.20816981e-04] [-4.28305777e-05 -8.08084463e-05 -3.03031734e-04] [-4.26216498e-05 8.03544773e-05 3.03266405e-04] [-6.28060736e-05 -2.58996058e-05 -1.20596919e-04] [ 1.99719815e-05 1.18123548e-04 -6.49535006e-05] [-1.52256818e-05 1.89626747e-04 1.23568764e-04] [-1.45754743e-05 -1.89986376e-04 -1.23067763e-04] [ 1.93463175e-05 -1.17800370e-04 6.54050990e-05]] Final stress: [ 2.82110461e-05 2.80489334e-05 -5.90060746e-05 -8.12700187e-06 2.97488959e-12 1.70348703e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-7.26858244e-04 2.91808541e-04 5.38043541e-04] [-8.35129834e-04 -4.49121129e-04 -2.20614590e-04] [-8.41411800e-04 4.55394227e-04 2.14442421e-04] [-7.26482876e-04 -2.92373692e-04 -5.38461958e-04] [ 8.99529239e-04 5.46405138e-04 -3.61007054e-05] [ 6.35064651e-04 -1.61467930e-03 1.32475422e-03] [ 6.35437973e-04 1.61412285e-03 -1.32450827e-03] [ 8.98809763e-04 -5.45276774e-04 3.72547669e-05] [ 5.18672612e-04 -2.84457489e-04 9.43018239e-04] [ 5.19395000e-04 2.84067903e-04 -9.43608338e-04] [-6.05317306e-04 -6.20387770e-04 1.55885014e-04] [-6.05770379e-04 6.20501860e-04 -1.56134959e-04] [ 3.58770947e-04 9.71127423e-04 8.76655337e-04] [-3.30651831e-04 7.21716580e-04 6.36476662e-04] [ 3.59308783e-04 -9.71575547e-04 -8.76971335e-04] [-3.31772496e-04 -7.22608034e-04 -6.35746080e-04] [-1.86684247e-05 -1.28881448e-04 -6.37332055e-04] [ 3.81572945e-04 3.73944385e-04 6.73287814e-04] [ 3.83892552e-04 -3.76385429e-04 -6.71732518e-04] [-1.78153501e-05 1.29857367e-04 6.37626929e-04] [ 2.55259504e-04 3.95894115e-04 -5.17589613e-05] [-5.31682426e-04 -4.35014166e-04 5.42859248e-04] [-5.28024657e-04 4.32050338e-04 -5.38831607e-04] [ 2.53871655e-04 -3.96129947e-04 5.14971762e-05]] Final stress: [-8.21288329e-05 -8.39181153e-05 1.93799171e-04 8.83600591e-06 -4.24808279e-10 8.43208263e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 8.36213173e-04 4.67679611e-04 -2.19567143e-04] [ 7.43203260e-04 -2.77267008e-04 5.32861825e-04] [ 7.41470685e-04 2.79169766e-04 -5.34607631e-04] [ 8.41981767e-04 -4.73485186e-04 2.13885564e-04] [-6.25057096e-04 1.64063524e-03 1.36049576e-03] [-9.26226517e-04 -5.91531973e-04 -1.42021443e-05] [-9.25458862e-04 5.90321585e-04 1.53451826e-05] [-6.25554857e-04 -1.63987754e-03 -1.36001649e-03] [ 6.31417211e-04 6.50667910e-04 1.74486260e-04] [ 6.31945779e-04 -6.50825964e-04 -1.74783443e-04] [-4.94625885e-04 2.86757149e-04 9.20123329e-04] [-4.95384049e-04 -2.86376811e-04 -9.20718412e-04] [ 3.25654637e-04 7.36042165e-04 -6.12991407e-04] [-3.75329124e-04 9.80818868e-04 -8.70166274e-04] [ 3.24826959e-04 -7.35379885e-04 6.13548488e-04] [-3.75101414e-04 -9.80616111e-04 8.70046619e-04] [-3.85446830e-04 -3.84730695e-04 7.16903772e-04] [-6.10181369e-06 1.13871163e-04 -6.42980910e-04] [-6.31881693e-06 -1.15307900e-04 6.43566686e-04] [-3.87311464e-04 3.87222132e-04 -7.15450191e-04] [ 5.37424346e-04 4.24153227e-04 5.39689180e-04] [-2.61029726e-04 -4.37040959e-04 -5.35688273e-05] [-2.58991451e-04 4.36625990e-04 5.41988659e-05] [ 5.33800090e-04 -4.21524783e-04 -5.36098662e-04]] Final stress: [-8.22703484e-05 -8.40654342e-05 1.94700313e-04 -8.75016684e-06 3.84761264e-10 8.64667600e-10] Minimization converged after 109 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 3.86191576e-05 2.29112158e-04 7.54623244e-05] [ 3.55119244e-06 3.37314742e-04 2.72959133e-06] [-3.78913484e-05 2.28386651e-04 -7.46801090e-05] [-1.62813785e-06 3.35364359e-04 -4.69453746e-06] [-3.00312088e-04 -1.08723217e-05 -3.50224924e-05] [-2.90221918e-04 -1.66151649e-04 2.61791383e-04] [ 3.00339274e-04 -1.09302645e-05 3.50756982e-05] [ 2.90049583e-04 -1.65901508e-04 -2.61589323e-04] [ 5.62286199e-04 -2.16736043e-04 4.23082865e-04] [-1.34338850e-04 -2.24193648e-04 -7.22400088e-05] [ 1.34144834e-04 -2.24382616e-04 7.25308604e-05] [-5.62688245e-04 -2.16459707e-04 -4.23520842e-04] [ 3.65074346e-04 1.92481322e-04 2.47901603e-04] [-3.64875663e-04 1.92221052e-04 -2.47775928e-04] [ 1.55383765e-04 -6.95635005e-05 2.82072449e-04] [-1.55285076e-04 -6.93797481e-05 -2.82125949e-04] [ 1.77361576e-04 1.76139666e-05 -1.17331347e-04] [ 2.17248098e-04 -8.86210168e-05 -6.56330920e-05] [-1.77584201e-04 1.75982779e-05 1.16779947e-04] [-2.17734166e-04 -8.80174983e-05 6.65120035e-05] [-8.95295569e-05 -3.39840472e-05 2.14102861e-04] [-1.41364203e-04 3.35377797e-05 -1.18510923e-04] [ 8.92319073e-05 -3.32220513e-05 -2.14302023e-04] [ 1.40163520e-04 3.47853112e-05 1.19384988e-04]] Final stress: [ 2.81433434e-05 2.80177446e-05 -5.83642502e-05 -2.59782473e-10 -8.19982336e-06 1.31649035e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 3.70235278e-04 -5.08023722e-04 6.03757498e-05] [ 2.75902239e-04 -1.13156107e-03 2.14809048e-04] [-3.75872247e-04 -5.02263354e-04 -6.60540045e-05] [-2.74440922e-04 -1.13309531e-03 -2.16159177e-04] [ 9.87449107e-04 1.05658429e-03 7.83134805e-04] [ 6.37390185e-04 -1.07381282e-03 4.94780571e-04] [-9.86728746e-04 1.05548567e-03 -7.82238744e-04] [-6.37873942e-04 -1.07303531e-03 -4.94132697e-04] [-2.44425895e-05 8.85571939e-04 2.38350753e-05] [ 1.14938207e-03 6.09337727e-04 -1.05966744e-03] [-1.14831258e-03 6.09951615e-04 1.05868800e-03] [ 2.43014058e-05 8.85462018e-04 -2.36899359e-05] [ 7.28781055e-04 7.51934260e-04 -2.67570435e-04] [-7.28747170e-04 7.52076747e-04 2.67628434e-04] [ 2.71658060e-05 -8.44786635e-04 -5.25663954e-04] [-2.76878865e-05 -8.45356003e-04 5.26013758e-04] [-7.87142697e-04 -2.25265144e-05 1.88051530e-04] [-4.30945165e-04 4.91907352e-04 -1.17639643e-04] [ 7.88485976e-04 -2.48561447e-05 -1.85973885e-04] [ 4.30730521e-04 4.93310098e-04 1.17483411e-04] [ 1.82905779e-04 3.36411001e-04 1.83529707e-04] [-5.84287808e-04 -5.50973631e-04 3.04545610e-04] [-1.79043930e-04 3.33384275e-04 -1.80687425e-04] [ 5.82796263e-04 -5.51126484e-04 -3.03398361e-04]] Final stress: [-8.13609728e-05 -8.30378604e-05 1.89951350e-04 4.12595023e-10 9.04949955e-06 8.01080523e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 0.00594543 0.0275783 0.01420093] [-0.00733813 0.00216326 0.00424729] [-0.00566789 0.02729025 -0.01391833] [ 0.00734368 0.00215963 -0.00425948] [-0.00213767 0.01670575 0.02000301] [-0.02238625 -0.02882909 0.0288096 ] [ 0.00210818 0.01675097 -0.02004017] [ 0.02240029 -0.02885275 -0.02882925] [ 0.0314791 -0.00404279 0.02043817] [ 0.02135656 -0.01050547 0.00513712] [-0.02141301 -0.01054175 -0.00508255] [-0.0314869 -0.00402913 -0.02045836] [ 0.00808435 0.02894841 0.01239111] [-0.0080801 0.02893372 -0.01239005] [ 0.00878701 -0.01911064 0.00053856] [-0.00875774 -0.01907762 -0.00055654] [-0.00038145 -0.01336786 -0.01209098] [ 0.01105135 -0.00173557 0.0042851 ] [ 0.00031486 -0.01326658 0.01197531] [-0.01105933 -0.00177401 -0.00424687] [ 0.00640408 0.02031547 0.01621981] [-0.00984617 -0.01812306 0.00429344] [-0.0065898 0.02048149 -0.01635346] [ 0.00986956 -0.01807095 -0.00431343]] Final stress: [-1.59241965e-04 -3.87680869e-04 3.01298581e-03 -1.61899580e-08 -5.75872326e-05 -6.06812648e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-1.69460118e-05 -7.22755809e-05 -2.48592132e-04] [ 1.91844512e-05 7.45494414e-05 -2.50931115e-04] [-5.89210106e-05 -2.63242476e-05 -3.41499999e-04] [ 6.17818699e-05 2.34503728e-05 -3.44445310e-04] [-2.74379526e-04 -2.53053482e-05 4.69062032e-05] [ 2.74217259e-04 2.50822191e-05 4.71026793e-05] [-2.69594990e-04 2.00463405e-04 -1.94574204e-04] [ 2.69473376e-04 -2.00307781e-04 -1.94478184e-04] [ 3.83830739e-04 3.18253349e-04 3.48529718e-04] [ 8.14133717e-05 3.06718088e-04 -1.58447740e-04] [-3.84383658e-04 -3.18681883e-04 3.49203681e-04] [-8.19999225e-05 -3.06256825e-04 -1.59164990e-04] [ 9.28341255e-05 -2.30262458e-04 2.07910029e-04] [-4.58569955e-04 4.96839854e-04 2.37672888e-04] [ 4.58778789e-04 -4.97203006e-04 2.37550464e-04] [-9.24605570e-05 2.30760769e-04 2.07682264e-04] [ 2.23304670e-05 -1.44713365e-04 -4.82950990e-05] [-2.28540219e-05 1.44228105e-04 -4.69921157e-05] [ 2.29396361e-05 2.55139980e-04 1.57490714e-04] [-2.37874249e-05 -2.54494711e-04 1.58926624e-04] [-1.35072682e-04 9.41047798e-05 2.74080754e-05] [ 1.33750702e-04 -9.58699378e-05 2.82149121e-05] [-2.11220407e-04 -1.51706212e-04 -3.42196627e-05] [ 2.09655381e-04 1.53810992e-04 -3.29576997e-05]] Final stress: [ 2.88752246e-05 2.87131206e-05 -5.96511092e-05 -5.11910039e-10 5.93292066e-11 8.25922002e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 5.51461695e-05 -3.65208834e-05 3.22350677e-04] [-5.47296190e-05 3.68529150e-05 3.22039234e-04] [ 8.97116694e-06 -7.08962209e-05 2.34927097e-04] [-1.24563808e-05 7.43267755e-05 2.38417901e-04] [ 2.50549244e-04 1.52799686e-04 1.62531890e-04] [-2.50329509e-04 -1.52461372e-04 1.62119230e-04] [ 2.56872693e-04 -1.71917570e-05 -5.93056824e-05] [-2.56910128e-04 1.72801548e-05 -5.90849264e-05] [ 6.52505757e-05 -2.88860526e-04 1.51960610e-04] [ 3.33448747e-04 -2.75686881e-04 -2.99401749e-04] [-6.50229674e-05 2.89018646e-04 1.51692618e-04] [-3.33006911e-04 2.75321782e-04 -2.98857775e-04] [ 4.14702441e-04 4.59065836e-04 -2.45734118e-04] [-7.76082670e-05 -2.38363213e-04 -1.93352879e-04] [ 7.79372063e-05 2.38207639e-04 -1.93571186e-04] [-4.15403158e-04 -4.59754919e-04 -2.45293563e-04] [-3.05272776e-05 2.45076648e-04 -1.28324650e-04] [ 2.99348992e-05 -2.45240149e-04 -1.28717274e-04] [ 1.06801060e-05 -1.53517536e-04 5.72144277e-05] [-9.24504819e-06 1.52672261e-04 5.59885873e-05] [ 1.63754009e-04 -1.30814879e-04 2.99613019e-05] [-1.63642917e-04 1.30919753e-04 3.07616551e-05] [ 1.40679208e-04 5.17044135e-05 -3.31325734e-05] [-1.39044284e-04 -5.39381722e-05 -3.51888520e-05]] Final stress: [ 2.76372240e-05 2.74872205e-05 -5.78136450e-05 3.39314271e-10 -3.71120594e-10 -8.00272396e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-3.98902310e-05 7.23735621e-04 -6.64313214e-04] [ 3.19676805e-05 -7.31383293e-04 -6.56605245e-04] [-1.18962085e-04 -3.24365965e-05 -9.46408432e-04] [ 1.27499195e-04 2.41694376e-05 -9.54753196e-04] [-2.99089596e-04 1.46141937e-03 6.41645237e-04] [ 2.98518509e-04 -1.46237265e-03 6.43021268e-04] [-5.97927153e-04 7.02393173e-04 -6.76326834e-04] [ 5.98487060e-04 -7.03343590e-04 -6.77698167e-04] [ 6.73027888e-04 8.71159452e-04 4.85240056e-04] [ 4.42371362e-04 5.54422902e-04 -5.78710917e-04] [-6.72624840e-04 -8.70757177e-04 4.84713911e-04] [-4.42946238e-04 -5.53888720e-04 -5.79454640e-04] [-1.52475853e-04 1.99855731e-04 9.14933501e-04] [-8.34806116e-04 1.48254024e-03 6.72079508e-04] [ 8.32699703e-04 -1.48083396e-03 6.73434555e-04] [ 1.54609394e-04 -1.98076301e-04 9.13559327e-04] [-4.60278905e-05 -9.04914533e-04 2.58916701e-04] [ 5.01693136e-05 9.07020701e-04 2.57339948e-04] [ 3.16959966e-04 4.24234135e-04 1.51658832e-04] [-3.21229964e-04 -4.21995673e-04 1.53625211e-04] [ 3.94022127e-04 1.36376223e-04 1.36160378e-04] [-3.90937675e-04 -1.32074380e-04 1.30224592e-04] [-4.02494180e-04 7.54390219e-04 -3.94221876e-04] [ 3.99079624e-04 -7.49640328e-04 -3.88060507e-04]] Final stress: [-8.25986267e-05 -8.43751661e-05 1.94009530e-04 4.29743497e-12 1.65786936e-09 8.35530095e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 1.15355439e-04 -3.27478146e-05 9.45856927e-04] [-1.21217683e-04 2.69615093e-05 9.51736996e-04] [ 1.85597251e-05 7.31612629e-04 6.39751807e-04] [-1.81266904e-05 -7.31907438e-04 6.39502538e-04] [ 5.86188265e-04 7.10054040e-04 6.78001038e-04] [-5.86234272e-04 -7.10180768e-04 6.78344939e-04] [ 2.82301058e-04 1.45662733e-03 -6.26856809e-04] [-2.81997640e-04 -1.45707446e-03 -6.27455512e-04] [ 4.33556296e-04 -5.83037635e-04 5.59493428e-04] [ 6.95718768e-04 -8.93897630e-04 -5.13711028e-04] [-4.32785448e-04 5.83673584e-04 5.58543304e-04] [-6.95207570e-04 8.93535497e-04 -5.13084301e-04] [ 8.66128291e-04 1.47033543e-03 -6.61879556e-04] [ 1.55377351e-04 1.88038422e-04 -9.03214085e-04] [-1.56553805e-04 -1.86880655e-04 -9.02480996e-04] [-8.65493445e-04 -1.47003830e-03 -6.62283569e-04] [-3.06979286e-04 4.06493928e-04 -1.71739503e-04] [ 3.09388756e-04 -4.05129934e-04 -1.73926994e-04] [ 4.53132682e-05 -9.01429554e-04 -2.35107655e-04] [-4.63347361e-05 9.01597118e-04 -2.35954746e-04] [ 4.32793109e-04 7.41362096e-04 3.96687946e-04] [-4.30071706e-04 -7.37618889e-04 3.93334695e-04] [-3.92885033e-04 1.59708443e-04 -1.07379098e-04] [ 3.93206988e-04 -1.60056954e-04 -1.06179767e-04]] Final stress: [-8.26527496e-05 -8.44139774e-05 1.93107021e-04 3.92309440e-10 3.95065361e-10 -8.32134824e-06] Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. 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 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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]: [[ 0.60431 0.26588 0.30335 0.00128 0.00085 0.00041] [ 0.26588 0.60239 0.26561 -0.00633 0.0013 -0.0002 ] [ 0.30335 0.26561 0.60819 0.0015 -0.00054 0.00137] [ 0.00128 -0.00633 0.0015 0.60748 0. -0. ] [ 0.00085 0.0013 -0.00054 0. 0.60748 0. ] [ 0.00041 -0.0002 0.00137 -0. 0. 0.60748]] 95%% Error estimate [ASE units]: [[ 0.04819 154808.17758 152419.62942 0.00534 0.00241 0.00685] [154808.17758 0.05749 154898.51634 0.00676 0.00854 0.00439] [152419.62942 154898.51634 0.05119 0.01886 0.0099 0.00971] [ 0.00534 0.00676 0.01886 0.00003 0. 0. ] [ 0.00241 0.00854 0.0099 0. 0.00003 0. ] [ 0.00685 0.00439 0.00971 0. 0. 0.00003]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 77449.258170 is too big compared to maximum elastic constant component 0.608195 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.037473 WARNING: Maximum deviation from material symmetry according to space group 198 is too big compared to maximum elastic constant component 0.608195 [ASE units] and requested fractional tolerance 0.010000. Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.001,_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 7 steps. Minimization converged after 53 steps. Minimization converged after 43 steps. Minimization converged after 47 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 46 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[ 2.46979756e-02 -8.56179172e-03 -1.49840228e-02] [-1.42886376e-02 7.80111956e-03 1.55444389e-02] [-1.19137549e-02 -1.01515086e-02 -1.32883787e-02] [ 2.44362178e-02 8.88920555e-03 1.52503156e-02] [ 9.45363444e-03 2.93099990e-04 3.09038406e-02] [ 2.22404484e-02 -9.65138830e-05 3.10816470e-02] [ 2.20961345e-02 3.12560106e-04 -3.12000248e-02] [ 9.73380361e-03 -7.04704378e-04 -3.13430239e-02] [-2.84858779e-02 -1.46365920e-02 1.70080636e-03] [-2.87551221e-02 1.47798283e-02 -1.48945123e-03] [ 5.87034533e-03 -8.44221713e-03 -2.49887304e-02] [ 6.03790007e-03 8.40258083e-03 2.50722104e-02] [ 3.55228009e-03 2.46281446e-02 1.96345322e-02] [ 7.70487923e-03 1.83669916e-03 3.43497314e-02] [ 3.41044851e-03 -2.45088291e-02 -1.95526299e-02] [ 8.06515992e-03 -1.55750884e-03 -3.45797916e-02] [-1.22785396e-02 -1.16442742e-02 -5.16823531e-03] [-5.01826563e-03 4.20141636e-02 2.50485469e-02] [-5.82528293e-03 -4.10249699e-02 -2.56202712e-02] [-1.25297694e-02 1.12509307e-02 5.04725744e-03] [-1.20127083e-02 2.31392491e-02 -6.17109445e-04] [-1.64692579e-03 -2.70495156e-02 -3.15503171e-02] [-3.08634675e-03 2.81316676e-02 3.01043043e-02] [-1.14579965e-02 -2.31008240e-02 6.44355155e-04]] Final stress: [-1.70082087e-03 3.53877741e-03 1.04227064e-03 1.48643865e-03 4.54027838e-07 -2.40899902e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[ 1.36776782e-02 -8.38183056e-03 1.50793201e-02] [-2.55170959e-02 7.67122412e-03 -1.41216754e-02] [-2.32245732e-02 -9.97447492e-03 1.63148438e-02] [ 1.20734063e-02 1.00335834e-02 -1.35407717e-02] [-2.24261318e-02 -6.27089534e-05 3.05083324e-02] [-9.44606075e-03 -3.80346806e-04 3.06145724e-02] [-9.73259023e-03 7.96951289e-04 -3.09612874e-02] [-2.20706503e-02 -4.70739914e-04 -3.10060443e-02] [-6.13101630e-03 8.52526321e-03 -2.48927733e-02] [-6.49425827e-03 -8.35746452e-03 2.51657547e-02] [ 2.88474118e-02 1.46163704e-02 1.89178326e-03] [ 2.91555080e-02 -1.47343568e-02 -1.69784511e-03] [-7.81805996e-03 1.58268385e-03 -3.45854830e-02] [-3.59786082e-03 2.43964235e-02 -1.96583606e-02] [-7.75477761e-03 -1.62378170e-03 3.45362118e-02] [-3.33882598e-03 -2.42060941e-02 1.94911197e-02] [ 5.34383633e-03 -4.16320827e-02 2.52608337e-02] [ 1.26491089e-02 1.18211567e-02 -5.26854136e-03] [ 1.20882083e-02 -1.06981272e-02 4.69825233e-03] [ 5.57568790e-03 4.07022551e-02 -2.57124871e-02] [ 1.55360730e-03 2.70092134e-02 -3.10838135e-02] [ 1.26485758e-02 -2.24540945e-02 -1.35723601e-03] [ 1.10329760e-02 2.34023539e-02 3.15264348e-05] [ 2.90589620e-03 -2.75813762e-02 3.02937683e-02]] Final stress: [-1.72732305e-03 3.52410606e-03 1.02752537e-03 -1.48635313e-03 1.20154486e-07 -3.07682399e-07] Minimization converged after 77 steps. Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[ 1.45315378e-02 3.46100542e-03 -8.96480945e-03] [ 3.07035269e-03 2.52905682e-03 1.83268821e-02] [-1.47593935e-02 3.69117935e-03 8.74221704e-03] [-3.06245060e-03 2.51922097e-03 -1.83293718e-02] [-4.33298926e-04 8.88334659e-03 1.78882798e-02] [-1.44432804e-04 2.10145299e-03 4.10660880e-03] [ 4.58661062e-04 8.84686743e-03 -1.78561569e-02] [ 1.31245455e-04 2.12233604e-03 -4.08764110e-03] [-1.63839549e-02 -2.54536583e-04 -8.01807773e-03] [ 3.80720673e-03 -2.96058924e-03 8.00906445e-03] [-3.75822512e-03 -2.92890102e-03 -8.05886042e-03] [ 1.63901770e-02 -2.67013269e-04 8.03688794e-03] [-8.69885070e-03 -3.10100146e-03 -3.11639207e-03] [ 8.69613387e-03 -3.09010848e-03 3.11641683e-03] [ 3.81150520e-03 -8.22581711e-03 1.54381554e-03] [-3.83643658e-03 -8.25222964e-03 -1.52964987e-03] [ 7.91706363e-04 -1.00206259e-02 1.57669770e-02] [-5.26042467e-03 1.57919553e-02 -1.00009489e-05] [-7.42365536e-04 -1.01066169e-02 -1.56762305e-02] [ 5.26293937e-03 1.58283628e-02 -1.78781786e-05] [ 8.66149291e-03 -6.63112396e-04 -1.95478098e-02] [ 1.90103045e-02 -7.53759464e-03 -1.08976809e-03] [-8.50599456e-03 -7.91868664e-04 1.96520235e-02] [-1.90374351e-02 -7.57476841e-03 1.11347387e-03]] Final stress: [-2.20536520e-03 2.74448975e-03 8.12115298e-04 -5.64120988e-09 1.22288136e-03 2.60448590e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[-3.26361137e-03 -2.72430948e-03 1.81434340e-02] [-1.43935571e-02 -3.31809031e-03 -9.09833018e-03] [ 2.87256151e-03 -2.32416034e-03 -1.85154640e-02] [ 1.49034910e-02 -3.83631738e-03 8.60847666e-03] [ 1.73399411e-04 -2.05923395e-03 4.14386588e-03] [ 4.06430396e-04 -8.92186146e-03 1.79233414e-02] [-1.03056338e-04 -2.16413591e-03 -4.04976639e-03] [-4.82343922e-04 -8.80893602e-03 -1.78233422e-02] [ 3.73416534e-03 2.92221220e-03 -8.07455069e-03] [-1.63575818e-02 2.51773643e-04 8.01110846e-03] [ 1.64182506e-02 2.72575566e-04 -8.04386744e-03] [-3.82950570e-03 2.97037927e-03 7.99828219e-03] [ 3.84738917e-03 8.25834458e-03 -1.52248756e-03] [-3.79857177e-03 8.21875277e-03 1.55301434e-03] [-8.71176491e-03 3.10405153e-03 3.12496529e-03] [ 8.68335679e-03 3.08892255e-03 -3.10480156e-03] [ 5.30213286e-03 -1.56985566e-02 4.65909305e-05] [-8.19744236e-04 9.93970004e-03 1.57987695e-02] [-5.22396515e-03 -1.59244778e-02 3.90495133e-05] [ 7.15261433e-04 1.01871223e-02 -1.56458829e-02] [-1.88720837e-02 7.62108118e-03 -9.88069151e-04] [-8.77554827e-03 6.15390050e-04 -1.94710894e-02] [ 1.91804147e-02 7.49131622e-03 1.21332728e-03] [ 8.39448108e-03 8.38457314e-04 1.97334261e-02]] Final stress: [-2.20539412e-03 2.74451471e-03 8.12070206e-04 1.31914076e-08 -1.22289290e-03 9.83316124e-08] Minimization converged after 73 steps. Minimization converged after 73 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. Minimization converged after 53 steps. Minimization converged after 43 steps. Minimization converged after 46 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 51 steps. Minimization converged after 105 steps. Minimization converged after 104 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[-1.38764516e-02 2.57814555e-02 -7.46754243e-03] [-1.54259598e-02 -1.40585832e-02 -8.07360611e-03] [ 1.65638202e-02 2.29392042e-02 1.01944938e-02] [ 1.31847140e-02 -1.16767351e-02 1.03374217e-02] [ 1.93719369e-02 3.15137201e-03 2.40471370e-02] [ 3.47598356e-02 8.11647467e-03 1.33458268e-03] [-1.97815244e-02 3.81581292e-03 -2.45649508e-02] [-3.43715971e-02 7.48742900e-03 -1.83323460e-03] [ 3.09753640e-02 9.66841908e-03 7.16210772e-04] [ 3.05057099e-02 2.23615443e-02 -3.76983603e-05] [-3.09997744e-02 2.21276716e-02 3.89597335e-04] [-3.06099460e-02 9.53135573e-03 -5.08713539e-04] [ 1.70002144e-03 -2.90724400e-02 -1.47438889e-02] [-1.83647930e-03 -2.89878142e-02 1.46316141e-02] [-2.49226827e-02 6.22721814e-03 -8.51670891e-03] [ 2.51540851e-02 6.42421807e-03 8.35100104e-03] [-5.26151973e-03 -1.30412949e-02 -1.16821720e-02] [-2.52694387e-02 -4.81713662e-03 -4.14848402e-02] [ 4.66705003e-03 -1.17148063e-02 1.08185951e-02] [ 2.57481499e-02 -6.08810959e-03 4.08789866e-02] [-1.68904412e-03 -1.24897858e-02 2.21978337e-02] [ 3.15651102e-02 -1.78669477e-03 2.66423069e-02] [-3.09970236e-04 -1.12269283e-02 -2.36654139e-02] [-2.98414091e-02 -2.67184634e-03 -2.79610108e-02]] Final stress: [ 1.02739207e-03 -1.72812592e-03 3.52362087e-03 3.12260061e-08 1.48639263e-03 -1.07900829e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[ 1.53503828e-02 1.39855938e-02 -8.07622004e-03] [ 1.58258933e-02 -2.38065923e-02 -9.45491956e-03] [-1.34481557e-02 1.19913667e-02 1.00842113e-02] [-1.45189950e-02 -2.51649036e-02 8.05982546e-03] [-3.45599804e-02 -7.95732544e-03 1.57243070e-03] [-1.96034045e-02 -3.50409449e-03 2.44941460e-02] [ 3.44230759e-02 -7.75013752e-03 -1.72858003e-03] [ 1.95509088e-02 -3.42918374e-03 -2.44464923e-02] [ 3.08089263e-02 -2.23713548e-02 2.92074060e-05] [ 3.08310833e-02 -9.46234457e-03 -3.13923676e-04] [-3.12258337e-02 -9.74926421e-03 7.32573328e-04] [-3.11314187e-02 -2.21126355e-02 -4.16487098e-04] [-2.49391212e-02 -5.91373512e-03 8.45976138e-03] [ 2.51273559e-02 -6.19012321e-03 -8.34972305e-03] [ 1.77792597e-03 2.86085353e-02 1.46439243e-02] [-1.56999784e-03 2.89046544e-02 -1.47771994e-02] [ 2.51452423e-02 5.18637315e-03 -4.18554079e-02] [ 4.84896634e-03 1.23191515e-02 -1.09789401e-02] [-2.56621919e-02 5.69456439e-03 4.08863421e-02] [-5.21477343e-03 1.25022505e-02 1.17672746e-02] [-3.13362501e-02 1.59632023e-03 2.70317991e-02] [ 3.39388037e-04 1.12387022e-02 2.32993132e-02] [ 3.02214093e-02 3.01107745e-03 -2.78561013e-02] [-1.04043582e-03 1.23731049e-02 -2.28068143e-02]] Final stress: [ 1.03724645e-03 -1.71027815e-03 3.53342104e-03 -2.86467164e-07 -1.48595521e-03 -1.54474435e-07] Minimization converged after 77 steps. Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[-9.14343083e-03 1.43700564e-02 3.29875977e-03] [ 8.56248004e-03 -1.49348484e-02 3.85849714e-03] [-1.76911762e-02 -3.71520722e-03 3.17554934e-03] [ 1.89706137e-02 2.42490802e-03 1.87344627e-03] [-3.14819778e-03 -8.76144059e-03 -3.18080318e-03] [ 3.07705148e-03 8.63236513e-03 -3.01428348e-03] [ 1.55811021e-03 3.77969503e-03 -8.17168156e-03] [-1.52028602e-03 -3.86320850e-03 -8.30376568e-03] [ 1.78650682e-02 -4.44434929e-04 8.85613523e-03] [ 4.03016581e-03 -8.38988925e-05 2.18614354e-03] [-1.78832754e-02 4.40698908e-04 8.87418730e-03] [-4.16271824e-03 1.93243050e-04 2.03630836e-03] [-7.87090318e-03 -1.62488690e-02 -1.62257363e-04] [ 7.91628320e-03 3.86585194e-03 -3.02719917e-03] [-8.16193011e-03 -3.69525624e-03 -2.86951453e-03] [ 8.18289638e-03 1.65279205e-02 -3.65593549e-04] [ 1.59227982e-02 8.39504810e-04 -1.00514070e-02] [-1.55222491e-02 -6.96955014e-04 -1.00741828e-02] [-2.98801255e-04 5.41472516e-03 1.56058632e-02] [-2.91879312e-04 -5.11505406e-03 1.60198687e-02] [-1.95275847e-02 8.72042369e-03 -4.52970876e-04] [ 1.96827658e-02 -8.45240303e-03 -9.99466200e-04] [ 8.26699775e-04 -1.86279852e-02 -7.97569675e-03] [-1.37250071e-03 1.94301685e-02 -7.13593677e-03]] Final stress: [ 8.11998223e-04 -2.20541988e-03 2.74453366e-03 -8.12477943e-08 -1.35835142e-08 1.22290570e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[ 1.88592498e-02 -2.52758559e-03 -1.97894176e-03] [-1.78001549e-02 3.60658168e-03 -3.07159601e-03] [ 8.84191697e-03 1.46456743e-02 -3.57238225e-03] [-8.86989986e-03 -1.46416477e-02 -3.57722012e-03] [-1.53423772e-03 3.83352732e-03 8.26746074e-03] [ 1.53691450e-03 -3.81482247e-03 8.21186293e-03] [ 3.08636730e-03 -8.64823416e-03 3.04527695e-03] [-3.14499302e-03 8.74898946e-03 3.16035376e-03] [ 4.01976988e-03 7.99248471e-05 -2.19445808e-03] [ 1.78337380e-02 4.71308044e-04 -8.82414223e-03] [-4.16759376e-03 -1.96868669e-04 -2.02841034e-03] [-1.79138141e-02 -4.16850263e-04 -8.91294977e-03] [-8.08535041e-03 3.76108544e-03 2.90956037e-03] [ 8.13955460e-03 -1.64971099e-02 3.33042218e-04] [-7.92099169e-03 1.62800819e-02 1.90989804e-04] [ 7.98374639e-03 -3.80250899e-03 2.97534474e-03] [-2.09656607e-04 5.14088408e-03 -1.60188221e-02] [-2.20196006e-04 -5.38279449e-03 -1.56037651e-02] [-1.56496916e-02 7.59683193e-04 9.98419863e-03] [ 1.57959387e-02 -7.77367406e-04 1.01397894e-02] [-1.34812360e-03 -1.93863570e-02 7.24924077e-03] [ 8.50486634e-04 1.86706100e-02 7.86577827e-03] [ 1.95628461e-02 8.63261750e-03 8.19745853e-04] [-1.96458254e-02 -8.53882108e-03 6.30043391e-04]] Final stress: [ 8.11980052e-04 -2.20532939e-03 2.74434605e-03 -1.19063819e-07 -5.84134985e-10 -1.22288253e-03] Minimization converged after 71 steps. Minimization converged after 71 steps. Minimization converged after 53 steps. Minimization converged after 44 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[ 4.03077521e-03 -8.44377043e-03 1.50915132e-02] [ 3.45635171e-03 -1.74427482e-02 -3.98617145e-03] [ 1.59488549e-03 1.92194946e-02 2.15510669e-03] [ 3.12345928e-03 9.26669036e-03 -1.42080963e-02] [-1.68879995e-04 -7.88153938e-03 -1.62195927e-02] [-2.93970985e-03 8.04995985e-03 3.72037332e-03] [-2.95325916e-03 -8.02583030e-03 -3.84196163e-03] [-3.56564091e-04 8.17164451e-03 1.65566165e-02] [-3.17480386e-03 -3.16071824e-03 -8.77415268e-03] [-3.02595826e-03 3.06325089e-03 8.61754443e-03] [-8.24225837e-03 1.51316874e-03 3.85390847e-03] [-8.23259741e-03 -1.56347117e-03 -3.78884738e-03] [ 8.71942753e-03 1.77424295e-02 -5.39126744e-04] [ 2.29070066e-03 3.93332546e-03 -1.55928512e-05] [ 9.01091801e-03 -1.80020367e-02 3.48800873e-04] [ 1.93107155e-03 -4.25471486e-03 2.62710760e-04] [-1.03598186e-02 1.56664369e-02 6.87795392e-04] [ 1.53932187e-02 -3.07917237e-04 5.46160667e-03] [ 1.62291403e-02 -2.99538241e-04 -5.06775995e-03] [-9.76306510e-03 -1.57763991e-02 -8.50971963e-04] [-8.18887269e-04 -1.98775083e-02 8.20522422e-03] [-7.99722299e-03 6.38376312e-04 -1.83787261e-02] [-7.11411668e-03 -1.56091008e-03 1.96783985e-02] [-6.32806788e-04 1.93323250e-02 -8.96859929e-03]] Final stress: [ 2.74443752e-03 8.11898926e-04 -2.20539710e-03 1.22288981e-03 -2.97800986e-07 2.32018301e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[-0.00208901 0.01877105 -0.00262977] [-0.00423786 0.00819782 0.01530454] [-0.00291483 -0.009505 -0.0139874 ] [-0.0029598 -0.01788633 0.0035002 ] [ 0.00282444 -0.00822048 0.00362067] [ 0.00036125 0.0081782 -0.01649795] [ 0.00016784 -0.00788256 0.01627668] [ 0.00306258 0.00784784 -0.0039377 ] [ 0.00833871 -0.00149479 0.0039028 ] [ 0.00814033 0.0015779 -0.00374482] [ 0.00302176 0.00309061 -0.00864733] [ 0.0031828 -0.00314064 0.00874934] [-0.00212064 0.00408801 0.00012567] [-0.00893638 0.01793389 0.00039141] [-0.00210155 -0.00410316 -0.00014819] [-0.00880067 -0.01781619 -0.00049177] [-0.01588324 -0.00025867 0.00515245] [ 0.01024442 -0.01539902 0.00061834] [ 0.00987921 0.01604607 -0.00091749] [-0.0157423 -0.00026831 -0.00537199] [ 0.00718783 -0.00124173 -0.01925681] [ 0.00117603 0.01987204 0.00817593] [ 0.00027323 -0.01934224 -0.008992 ] [ 0.00792585 0.0009557 0.01880519]] Final stress: [ 2.74430410e-03 8.12022447e-04 -2.20530076e-03 -1.22289652e-03 4.59025772e-08 3.29605230e-08] Minimization converged after 73 steps. Minimization converged after 71 steps. Minimization converged after 106 steps. Minimization converged after 94 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[-0.00760737 -0.01413353 0.02541033] [ 0.0100891 0.01629853 0.02321915] [ 0.00374472 0.01949993 -0.01832129] [-0.01473702 -0.00897156 -0.00724524] [-0.01431511 0.0023003 -0.0283837 ] [ 0.01499864 -0.00128041 -0.02970529] [-0.00854833 -0.02474705 0.00592798] [ 0.00829382 0.02524466 0.00683049] [ 0.02447462 0.01965118 0.00371386] [ 0.00218473 0.03402858 0.00696876] [-0.02404916 -0.01937537 0.00322386] [-0.00094328 -0.03505821 0.00857682] [-0.00035807 0.02965892 0.00887647] [ 0.00035056 0.03028621 0.02263663] [ 0.00082421 -0.03102324 0.02185077] [-0.00161732 -0.03172447 0.01022358] [-0.01231879 -0.00533076 -0.01196902] [ 0.0101031 0.00453515 -0.01280539] [ 0.04344117 0.02415443 -0.00361148] [-0.03871911 -0.02686022 -0.00722995] [ 0.0227442 -0.00093607 -0.0134674 ] [-0.02301451 0.00044426 -0.01030563] [-0.02471831 -0.03397235 0.00123846] [ 0.0296975 0.0273111 -0.00565276]] Final stress: [ 3.52049670e-03 1.02467317e-03 -1.73205882e-03 1.92920340e-06 -1.21410012e-06 1.48594084e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[-0.00908963 0.01438225 0.01301873] [ 0.00901267 -0.01439451 0.01301154] [ 0.0101211 -0.0164532 -0.02310667] [-0.00737429 0.01379663 -0.0258985 ] [ 0.00830184 -0.02523308 -0.00620519] [-0.00848944 0.0249445 -0.00587356] [ 0.01467776 0.00167418 0.02879897] [-0.01464907 -0.00174311 0.0286317 ] [ 0.00158138 -0.03455057 -0.00796716] [ 0.02429666 -0.01945721 -0.00318736] [-0.00177502 0.03441128 -0.00773127] [-0.02465617 0.01975244 -0.00365855] [ 0.00040402 0.03126693 -0.02204677] [-0.00060227 0.03108341 -0.0096902 ] [ 0.00042318 -0.03102028 -0.00956378] [ 0.00010499 -0.03071694 -0.02238613] [-0.04118156 0.02543178 0.00526538] [ 0.04152047 -0.02534596 0.00568079] [ 0.01080947 -0.00472222 0.01189234] [-0.01193695 0.00536802 0.01285713] [ 0.02735616 -0.03089223 0.00255017] [-0.02756846 0.03064222 0.00205156] [-0.02367708 0.00020324 0.0109595 ] [ 0.02239023 0.00157243 0.01259731]] Final stress: [ 3.53432515e-03 1.03815273e-03 -1.70831124e-03 -5.65144980e-07 1.97744980e-07 -1.48610499e-03] Minimization converged after 77 steps. Minimization converged after 77 steps. Minimization converged after 79 steps. Minimization converged after 78 steps. Minimization converged after 131 steps. Minimization converged after 131 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 69 steps. Final forces: [[ 2.26676743e-03 -1.95354222e-03 1.53158535e-03] [-3.84211210e-03 2.04512413e-03 -9.99265572e-04] [-2.19332110e-03 -2.11940630e-03 -2.44683131e-04] [-1.17521241e-03 -2.57383760e-03 2.17755426e-03] [-6.14233413e-04 1.44563917e-03 -6.64551375e-05] [ 6.18310593e-04 -1.59282624e-03 2.79738690e-03] [ 3.07480370e-03 -1.64244570e-03 4.95132664e-04] [ 2.76424882e-03 7.73620426e-04 -2.94529155e-03] [ 1.43643159e-03 3.96988464e-03 1.77027798e-03] [-5.74744581e-04 1.35277375e-03 -2.75395663e-04] [-1.79761267e-03 1.37707470e-03 -2.86426517e-03] [-1.01354097e-03 1.02117779e-03 -6.57717403e-04] [-4.91681103e-04 2.39580077e-03 -1.79557865e-03] [ 1.19622283e-03 7.33715029e-04 5.73905410e-05] [-1.80349104e-03 4.74584200e-05 3.65363113e-03] [ 1.73407830e-03 -5.43974326e-03 -7.37812606e-04] [ 7.63360641e-04 3.56522176e-04 4.54646746e-04] [-2.32280425e-03 2.49868837e-03 -9.80915388e-04] [-9.30535599e-04 -4.63501771e-03 -2.82146809e-03] [ 2.41941909e-03 3.33993255e-03 2.49891017e-03] [ 1.15649473e-03 -3.89479891e-04 2.71851197e-03] [ 8.63398764e-04 1.24851578e-03 -1.57221325e-03] [-5.66035382e-04 -2.31568303e-03 -5.49079384e-04] [-9.68211867e-04 5.60542745e-05 -1.64488671e-03]] Final stress: [-7.53180843e-05 1.27040166e-03 -1.07198191e-03 -1.30875877e-03 1.09314682e-03 -1.96997473e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 68 steps. Final forces: [[ 3.56209961e-04 -8.27788587e-04 -7.11592610e-03] [-7.72736720e-03 6.15525356e-03 -4.75644468e-04] [-1.72867354e-02 3.86247484e-03 -6.53800260e-03] [ 2.67110849e-03 7.99791076e-03 2.33947711e-03] [ 1.78355649e-03 -6.51418375e-03 -8.52295890e-04] [ 1.94308749e-03 -4.78749330e-03 3.71260545e-03] [-1.19947150e-03 1.68838206e-03 -1.68988636e-02] [-5.08552775e-03 1.05925593e-02 7.24247482e-04] [ 6.42038064e-03 -6.16937909e-04 6.48935416e-03] [-3.50421433e-03 -4.32507542e-03 4.12288925e-03] [-7.47749294e-03 -4.00099619e-03 5.27637407e-03] [-4.73284062e-03 -1.86252705e-03 7.96660022e-03] [-3.30407242e-03 9.56411855e-03 -6.60821750e-03] [ 7.05053007e-03 5.16674189e-03 9.24061847e-03] [ 6.78619083e-03 -6.92159275e-03 5.20754497e-03] [-3.12105483e-04 -1.06782912e-02 7.77425529e-04] [ 1.27964965e-03 -1.07768985e-02 4.46903950e-04] [-2.82860655e-03 1.34189854e-02 -4.17691567e-03] [ 1.48297783e-03 -2.11786974e-03 6.54228843e-03] [ 1.34503139e-02 -4.87933639e-03 -8.08718352e-03] [ 3.63251956e-03 -5.15382172e-03 -3.25126969e-05] [ 9.31712818e-04 3.00343244e-03 -2.04338470e-03] [ 3.01596482e-03 -2.84266031e-03 7.02411828e-03] [ 2.65423162e-03 4.85561403e-03 -7.04150064e-03]] Final stress: [-2.81999294e-04 2.19023328e-03 -1.15724625e-03 -1.40199320e-03 -9.64484049e-04 3.22097036e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 68 steps. Final forces: [[-4.46545036e-03 -1.63205580e-03 2.48633420e-03] [ 9.27263347e-04 -1.05697655e-03 8.90819903e-03] [-2.21882618e-03 -4.47939165e-03 2.00649164e-03] [-5.16905166e-03 3.97014998e-04 -2.91085275e-03] [ 2.95855977e-03 2.49430000e-03 3.32894656e-03] [ 1.12179135e-04 3.76618617e-03 2.28829043e-03] [ 8.92709836e-04 2.98479254e-03 -1.15534443e-03] [ 2.04046471e-03 5.50723221e-03 7.11818615e-03] [ 3.07254754e-03 -1.23401170e-03 -6.30122363e-03] [ 2.19471897e-03 8.81086591e-03 4.17824512e-03] [-9.95299740e-03 4.88355810e-03 -2.83589305e-04] [-5.00116640e-03 -5.04025430e-03 2.49370696e-03] [-2.97353651e-04 -6.43552103e-04 -2.46073059e-03] [ 6.20182597e-03 -3.31041601e-04 -3.28213761e-03] [-2.11946513e-05 -5.05779262e-04 2.65579564e-03] [-9.36211628e-03 -1.15619113e-02 2.08752751e-03] [-7.09951239e-03 5.04637628e-03 2.01894049e-03] [ 5.46399663e-03 5.77998658e-04 3.64417719e-06] [ 1.36786738e-02 5.78213792e-05 -7.29234089e-03] [ 2.41088852e-03 -4.27923433e-03 -7.20486539e-03] [ 2.35452635e-04 -3.57666906e-03 -2.12533973e-03] [ 3.46304633e-03 5.45295145e-04 -4.37558817e-03] [ 4.24324363e-03 4.79755242e-03 2.10327889e-03] [-4.30790187e-03 -5.52811621e-03 -4.28557429e-03]] Final stress: [ 1.66965118e-03 -1.00561168e-03 -3.34366825e-04 1.02538456e-03 1.24512894e-05 1.36234806e-03] Minimization converged after 129 steps. Minimization converged after 128 steps. Minimization converged after 132 steps. Minimization converged after 79 steps. Minimization converged after 79 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 68 steps. Final forces: [[-6.22419822e-04 3.19147863e-03 -3.80668691e-03] [-1.15157786e-03 -2.32537392e-03 -2.61651106e-03] [-5.65180367e-04 5.82336324e-03 4.71564523e-04] [-2.88001785e-03 8.24404656e-05 -7.90549665e-04] [ 9.42001458e-04 1.86853638e-03 4.22423476e-03] [ 3.00421417e-03 -1.21419007e-03 1.09407054e-03] [ 9.43088876e-04 1.16563900e-03 -5.72524574e-03] [-1.81634093e-03 -2.66842388e-03 -5.18835073e-03] [ 1.09608626e-03 -1.48720405e-03 1.91190423e-03] [ 5.67925561e-04 -2.71326705e-03 1.23073498e-03] [ 1.38661294e-03 1.71007158e-03 -3.27630963e-03] [-6.16515014e-03 6.26064479e-04 -1.31995349e-03] [ 1.21775222e-03 1.85154960e-03 2.11796980e-03] [ 3.16486298e-03 1.55900042e-03 2.35823304e-03] [ 1.07532775e-03 -4.06401909e-04 9.44726294e-04] [ 5.93204212e-03 4.88743427e-03 -6.81138218e-04] [ 1.13548299e-03 -1.12332338e-03 -3.22459457e-03] [-3.26298230e-03 -1.79477035e-03 3.65754269e-03] [-2.46634184e-05 -2.79768689e-03 1.73847051e-03] [-8.71697305e-04 -1.65117623e-03 4.27606333e-03] [-4.01635285e-03 9.05908453e-04 1.16731548e-03] [-1.90396580e-03 -3.15906744e-03 -1.26755472e-03] [ 2.33376969e-03 -2.12315090e-03 9.31979760e-04] [ 4.81181627e-04 -2.07450441e-04 1.77208481e-03]] Final stress: [-1.05811875e-03 -1.44902283e-04 1.35113916e-03 2.22352956e-05 1.32028963e-03 1.07636301e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 68 steps. Final forces: [[ 2.89126625e-04 8.24268420e-03 -4.91400301e-04] [ 3.99739272e-03 1.95216938e-04 1.12001722e-03] [ 1.84869169e-04 4.88756779e-03 5.04398928e-03] [ 2.23798895e-03 -4.48402210e-03 2.22092243e-03] [-2.38776488e-03 2.23117845e-05 7.67221830e-03] [ 1.60130526e-03 -3.04430943e-03 7.70542087e-03] [-2.54372833e-03 2.61466131e-03 -6.52933672e-03] [-3.69550191e-03 -3.28658450e-03 -3.50909286e-03] [ 9.16899772e-03 7.81215800e-04 1.10681199e-03] [-1.82917304e-03 3.01872748e-03 6.24414735e-03] [-1.77987840e-03 -2.77244995e-03 -3.51157282e-03] [-3.16215769e-03 -1.91440673e-03 -2.82359916e-03] [-5.09420305e-03 2.71556395e-03 -2.81927685e-03] [-1.40182116e-03 3.40158956e-03 -2.73892881e-03] [-6.80108668e-03 4.96805093e-03 -5.98852248e-04] [-3.14684009e-03 -2.65440167e-03 -5.84892774e-04] [-8.16521377e-05 -3.34369088e-03 -1.81695212e-03] [ 1.82026780e-03 -1.29672506e-03 -5.68039123e-03] [ 4.30889683e-04 -2.63883259e-04 4.88344633e-03] [ 5.23960640e-03 -2.65714104e-03 -3.96082906e-03] [-1.41361383e-03 -1.10250275e-03 -3.22698310e-04] [-1.44667043e-04 -2.03923776e-03 -3.14389683e-03] [ 5.36072322e-03 1.83732837e-03 -1.52260008e-04] [ 3.15092070e-03 -3.82556300e-03 2.68700634e-03]] Final stress: [-1.09402370e-03 -2.59791263e-04 1.74304931e-03 -2.60037066e-05 1.36367674e-03 -1.01761763e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 68 steps. Final forces: [[ 5.35344535e-04 1.67177857e-03 -1.58505285e-03] [ 5.78715966e-04 -1.66806864e-03 -3.03916332e-03] [ 1.94732536e-03 -2.81786943e-04 -3.59137589e-04] [ 4.51027113e-04 -4.27101681e-03 -5.62109879e-05] [-1.66693869e-03 2.50439865e-03 1.33026611e-03] [-1.51930311e-03 -6.72730443e-04 1.93419302e-03] [ 4.68351114e-04 9.40485538e-04 -2.27474890e-03] [-1.35016097e-03 -6.28160669e-04 -3.33885825e-03] [-9.18892799e-04 -4.00421554e-04 -1.39524702e-03] [ 3.66749245e-03 -5.54319853e-04 -7.48660241e-04] [-7.54713261e-04 5.91895298e-04 2.06723667e-03] [ 1.00778712e-03 1.48384719e-03 1.62501022e-03] [-3.75682599e-03 -3.86714276e-03 -1.75910238e-04] [-1.93909419e-03 9.54311593e-04 -5.54915419e-06] [-2.31952390e-03 -6.31145528e-04 1.27854865e-03] [ 1.22994272e-03 5.01925309e-05 5.13473671e-04] [ 3.46278787e-03 2.12778758e-03 2.92681122e-03] [-3.90625778e-04 -1.48609401e-04 -2.37830424e-03] [-4.58731030e-04 -5.94579782e-04 2.45669794e-03] [-2.57689191e-04 1.72567512e-03 5.57645767e-05] [ 4.54520129e-04 1.29911729e-03 -4.54178032e-04] [ 2.62712938e-03 -5.93644373e-04 3.97742795e-04] [ 2.19203996e-05 -2.71432039e-04 1.13977860e-03] [-1.11984525e-03 1.23356943e-03 8.54973511e-05]] Final stress: [-1.06971218e-03 -1.38261911e-05 1.06362531e-03 -1.36658719e-05 -1.29066836e-03 1.11530095e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 69 steps. Final forces: [[-1.77567177e-03 4.36149325e-04 1.65893078e-03] [ 3.36165703e-03 -2.11595262e-03 -3.49022070e-03] [-3.15413916e-03 3.79786558e-03 2.30825883e-04] [ 5.66711934e-04 -3.85882910e-03 3.82788400e-03] [-3.37683918e-03 -5.22845145e-04 4.82777115e-04] [ 8.89446610e-04 1.65951162e-03 3.96195953e-03] [ 1.98744984e-03 2.85796587e-04 -8.53637754e-04] [ 1.43825298e-03 -1.91016021e-03 -2.36667884e-03] [ 3.54748606e-03 3.87188348e-03 1.21714653e-03] [-1.26264270e-03 3.33345135e-03 1.45579222e-03] [-2.39910879e-03 1.33741232e-03 -2.79035589e-03] [ 1.04209502e-03 -1.39014928e-03 2.63031867e-03] [ 3.76507514e-04 -1.42146851e-05 1.03877446e-03] [-5.11202201e-03 2.75508744e-03 -3.48562197e-03] [ 8.69239911e-04 -1.96418064e-03 -3.81704094e-03] [ 1.05432767e-03 -1.93588435e-03 -3.14326275e-03] [-4.05384495e-03 1.84021994e-03 -3.38353327e-05] [ 1.06178409e-03 -4.22875139e-03 -1.74059325e-03] [ 1.53097535e-03 5.58579711e-05 3.14075173e-04] [ 1.91071401e-03 -1.99378864e-04 2.16150867e-03] [ 1.64410826e-03 -1.13499069e-03 -5.09570621e-04] [ 4.68366805e-04 -1.70082920e-03 -2.11956834e-03] [-2.78113569e-03 1.72640066e-03 1.80127116e-03] [ 2.16628117e-03 -1.23470103e-04 3.56912218e-03]] Final stress: [-1.12519978e-03 -1.33177409e-04 1.34650144e-03 1.16144299e-05 -1.31981110e-03 -1.07760462e-03] Minimization converged after 79 steps. Minimization converged after 78 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-0.06170092 0.07029879 -0.01938632] [ 0.06171154 -0.07028881 -0.01939608] [ 0.06170676 0.07029303 0.01939179] [-0.06171325 -0.07028707 0.01939756] [-0.04905957 -0.02433777 0.09245407] [ 0.04906022 0.02433863 0.09245265] [ 0.04905885 -0.02433681 -0.092455 ] [-0.04905968 0.02433783 -0.09245343] [ 0.03464565 0.00203403 -0.06165759] [ 0.03464557 -0.00203429 0.06165727] [-0.03464675 -0.00203502 -0.06165609] [-0.0346456 0.00203425 0.06165727] [-0.01958143 0.01662073 0.05255477] [ 0.01958134 0.01662063 -0.05255486] [-0.01957921 -0.01662238 -0.05255608] [ 0.01957965 -0.0166219 0.05255585] [ 0.01263345 -0.06133201 -0.02638037] [-0.0126378 0.06132894 -0.02637754] [-0.01263455 -0.06132946 0.0263783 ] [ 0.0126381 0.06132738 0.02637781] [ 0.07595381 0.02356466 0.02680111] [-0.07595868 -0.0235705 0.02680787] [-0.07595785 0.02356749 -0.02680381] [ 0.07596036 -0.02357038 -0.02680913]] Final stress: [-1.22646182e-03 9.90212411e-03 3.17672279e-03 5.82477253e-10 -6.42135936e-09 -2.85931884e-11] Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 50 steps. Minimization converged after 53 steps. Minimization converged after 53 steps. Minimization converged after 46 steps. Minimization converged after 52 steps. Minimization converged after 50 steps. Minimization converged after 52 steps. Minimization converged after 103 steps. Minimization converged after 98 steps. Minimization converged after 74 steps. Minimization converged after 74 steps. Minimization converged after 94 steps. Minimization converged after 93 steps. Minimization converged after 73 steps. Minimization converged after 72 steps. Minimization converged after 88 steps. Minimization converged after 89 steps. Minimization converged after 73 steps. Minimization converged after 73 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-0.01956187 -0.06173073 0.07021411] [ 0.01957009 0.0617393 0.07020573] [ 0.01955952 -0.06172811 -0.07021648] [-0.01956591 0.0617347 -0.07021008] [ 0.05248062 -0.01966136 0.01667166] [-0.05248019 0.01966237 0.01667036] [-0.05248006 -0.01966236 -0.01667094] [ 0.05247957 0.01966346 -0.01666957] [ 0.09236847 -0.04919648 -0.02463206] [ 0.09236956 0.04919571 0.02463118] [-0.09236926 0.04919578 -0.0246312 ] [-0.09236926 -0.04919606 0.02463153] [-0.06179359 0.03461972 0.00205377] [ 0.06179383 0.03461947 -0.00205359] [-0.06179152 -0.03462134 -0.00205513] [ 0.06179143 -0.03462132 0.00205521] [-0.02643971 0.01249709 -0.06131392] [ 0.02643573 -0.01249911 -0.06131153] [ 0.02644016 0.01249539 0.06131431] [-0.02643661 -0.01249704 0.06131307] [ 0.02681635 0.07600489 0.02355349] [-0.02681971 -0.07601015 0.02355937] [-0.02681435 0.07600418 -0.02355204] [ 0.0268167 -0.07600797 -0.02355723]] Final stress: [ 3.18253157e-03 -1.22266398e-03 9.91011491e-03 6.48348221e-11 1.20665149e-09 2.13504256e-09] Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 50 steps. Minimization converged after 53 steps. Minimization converged after 52 steps. Minimization converged after 93 steps. Minimization converged after 90 steps. Minimization converged after 72 steps. Minimization converged after 73 steps. Minimization converged after 88 steps. Minimization converged after 102 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 91 steps. Minimization converged after 89 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.07023262 -0.01954612 -0.06172248] [-0.07022118 0.01955658 -0.06173377] [-0.07021978 -0.01955888 0.06173546] [ 0.0702014 0.01957608 0.06175421] [ 0.00205436 -0.06178463 0.03461681] [-0.00205313 0.06178662 0.03461418] [-0.00205772 -0.06177946 -0.0346208 ] [ 0.0020567 0.06178123 -0.03461832] [ 0.01667778 0.05248614 -0.01966424] [ 0.016676 -0.05248607 0.01966489] [-0.01667798 -0.05248633 -0.01966394] [-0.01667421 0.05248464 0.01966741] [-0.02462063 0.09236768 -0.04920105] [ 0.02461927 0.09236923 0.04919977] [-0.02461622 -0.09237199 0.04919759] [ 0.0246171 -0.09237148 -0.04919842] [-0.06132247 -0.02644251 0.01250135] [ 0.06131559 0.02643949 0.01250222] [ 0.06131945 -0.02643453 -0.01250316] [-0.06131063 0.02643014 -0.01250804] [ 0.02354966 0.02680806 0.07599484] [-0.02355331 -0.02681343 0.07600492] [-0.02355995 0.02681167 -0.0760032 ] [ 0.02356728 -0.02682213 -0.07601625]] Final stress: [ 9.90991485e-03 3.18230478e-03 -1.22271862e-03 2.07849724e-09 -1.07600477e-09 3.27931716e-09] Minimization converged after 46 steps. Minimization converged after 89 steps. Minimization converged after 89 steps. Minimization converged after 74 steps. Minimization converged after 73 steps. Minimization converged after 93 steps. Minimization converged after 89 steps. Minimization converged after 73 steps. Minimization converged after 73 steps. Minimization converged after 101 steps. Minimization converged after 102 steps. Minimization converged after 73 steps. Minimization converged after 74 steps. Minimization converged after 78 steps. Minimization converged after 79 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 64 steps. Final forces: [[ 7.38684624e-03 -9.81342781e-04 -2.15813183e-03] [ 1.52043434e-03 -2.09402468e-03 -6.29711037e-04] [-2.44618767e-03 -2.64303427e-03 -1.98971942e-03] [ 2.41982173e-03 -6.81985140e-04 2.31925179e-03] [-1.38830960e-03 -3.15696076e-04 -3.13210148e-03] [-6.03158609e-03 -8.38344022e-04 5.36322267e-03] [-2.43444193e-04 -5.57258191e-03 2.07095736e-03] [ 1.52878933e-04 -1.21373295e-03 -1.77138655e-03] [ 3.05348644e-03 7.61341027e-03 -1.64205410e-03] [ 8.77924115e-04 2.50961929e-03 2.03429253e-03] [ 5.04734657e-04 1.54234445e-03 -2.51632361e-03] [-5.34473846e-03 -2.07570924e-04 8.74920496e-04] [ 4.83847658e-03 5.04873188e-03 -5.81015953e-04] [ 1.59623940e-03 2.33527171e-05 2.93605896e-03] [-2.27744456e-03 -2.81356502e-03 -2.28970178e-03] [ 4.12818677e-04 1.99329204e-03 -8.09992999e-04] [ 2.59810982e-04 -2.17616269e-03 1.68663116e-03] [-4.63898560e-03 1.54365133e-03 -5.97269056e-04] [-1.82524910e-03 5.83705404e-04 -6.72239737e-04] [ 1.65083381e-03 1.15745003e-03 -9.12702604e-04] [-1.31976965e-03 -1.76622573e-03 1.79286244e-03] [ 1.20670289e-03 8.52887654e-04 2.07567099e-03] [-8.18887523e-04 -2.89777740e-03 -3.16350186e-03] [ 4.53593680e-04 1.33359854e-03 1.71198362e-03]] Final stress: [-1.42416302e-04 1.25878741e-03 -1.02849988e-03 8.04767090e-04 6.94912185e-04 2.78220268e-05] Minimization converged after 128 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 65 steps. Final forces: [[ 4.83497334e-03 -2.86775575e-03 5.73708124e-03] [-3.38109414e-03 -2.96684808e-03 -3.75010795e-03] [-1.31247085e-02 -3.23169891e-03 2.43207457e-03] [-4.42276845e-03 -3.93928625e-03 -1.69848739e-03] [-8.61759687e-05 -5.47608203e-03 4.32551378e-03] [ 2.30933435e-03 -1.65060693e-03 6.40672720e-03] [ 6.20169851e-03 -7.75376096e-04 -9.84439330e-04] [ 3.93368733e-03 2.75443911e-03 -1.31753133e-02] [ 7.37481205e-03 2.54107419e-03 -4.67057832e-04] [ 2.09495065e-03 1.68745195e-03 -3.19462803e-03] [-3.53447085e-03 1.66170448e-03 -1.82221859e-03] [-1.17054322e-03 7.14421575e-03 9.05135739e-03] [ 1.32008165e-03 3.49356993e-04 -1.51092138e-03] [ 5.87238107e-04 3.64270360e-03 3.12808801e-03] [-2.53211518e-03 1.03983116e-03 -1.17836955e-03] [ 2.67530325e-05 -8.44692545e-03 6.82827614e-03] [ 5.49406638e-04 5.85798017e-04 9.59349291e-04] [-3.27345446e-05 5.56112228e-03 -1.80597765e-03] [-4.44057676e-05 -3.82837811e-03 -2.93543578e-03] [-2.55999654e-03 5.26925588e-03 8.46022205e-04] [ 6.71033797e-03 4.91720568e-04 7.02494560e-04] [-3.48789563e-03 3.80160828e-03 -8.26616905e-04] [-1.84640668e-03 -2.11798747e-03 -1.89086286e-03] [ 2.80041825e-04 -1.22933717e-03 -5.17654787e-03]] Final stress: [-3.79225041e-04 2.01523138e-03 -1.05802905e-03 -8.31932790e-04 6.34593515e-04 -2.32837830e-05] Minimization converged after 128 steps. Minimization converged after 130 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 63 steps. Final forces: [[ 2.84292121e-04 3.46732377e-03 3.97333016e-03] [-3.43818404e-03 2.30578036e-03 -6.75944902e-04] [-1.70046808e-03 -1.58825495e-03 -4.23605212e-03] [-1.80644738e-03 2.46509827e-03 -6.75557300e-03] [ 3.65264992e-03 -2.71508805e-05 1.06575693e-02] [ 1.18461842e-03 -5.23402143e-04 5.76640754e-03] [ 3.71808044e-04 -4.73283482e-03 -6.67832301e-04] [ 6.79163616e-03 3.94737898e-03 -5.54287062e-03] [ 5.77365567e-03 -3.39948565e-03 -2.38313440e-04] [ 5.87103576e-03 1.98410043e-03 -1.29296427e-03] [ 5.97511097e-04 -2.89459201e-04 -2.41980198e-03] [-4.86100326e-03 1.01834670e-03 2.41258695e-03] [-2.43077751e-03 1.35219255e-03 4.84418442e-03] [ 7.86656173e-04 -1.28026643e-03 -8.87818418e-04] [-1.70456563e-03 3.29503761e-03 2.79718464e-03] [ 3.68944119e-04 -5.59643736e-03 4.47792577e-03] [ 2.15509825e-03 1.93650424e-03 4.31041783e-03] [ 1.27868623e-03 1.33667301e-03 1.51281096e-03] [ 3.79479936e-04 -1.27953247e-03 -5.29384017e-03] [-3.84865151e-03 -1.20862301e-03 -3.49435825e-03] [-6.30689596e-03 8.37838235e-04 7.20439561e-04] [-2.47595222e-05 -5.13565650e-03 -5.66434918e-03] [-2.87148488e-04 1.27696750e-03 -3.07068017e-03] [-3.08717052e-03 -1.62138245e-04 -1.23245828e-03]] Final stress: [ 1.34755567e-03 -9.27467627e-04 -2.85681181e-05 6.94395009e-04 -3.71614277e-05 -8.06921353e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 65 steps. Final forces: [[ 6.30068024e-03 -3.44679906e-03 9.25960710e-03] [ 2.75747578e-03 1.79164717e-03 1.81953729e-02] [ 2.67884202e-03 7.25066499e-03 -7.89358865e-03] [ 7.37991783e-03 -8.93075084e-04 5.22255619e-03] [-5.55409579e-03 -9.76653160e-03 1.75927889e-03] [-1.25127945e-02 1.10158060e-02 5.42939714e-03] [-6.23391857e-03 3.42093932e-03 -1.51862092e-02] [ 2.43019976e-03 -7.98029769e-03 -9.30938525e-03] [ 1.13640369e-02 3.73372436e-03 -7.71720272e-03] [-2.07397342e-03 -1.52559106e-03 5.20501483e-03] [-6.23786027e-03 3.28367909e-03 -2.01420614e-04] [-7.77229962e-03 -2.61419951e-03 -1.93687194e-03] [ 7.48830250e-04 9.51894787e-03 -2.55534603e-03] [ 3.52801547e-03 1.22208313e-02 -3.27544684e-03] [-5.73688324e-03 -1.89593788e-02 -5.57627126e-03] [ 5.36962448e-03 -2.32324436e-04 -8.35074740e-03] [-1.12354857e-02 -5.12840432e-03 6.12491081e-04] [ 1.08900927e-02 -2.51657699e-03 8.66307995e-03] [ 4.81047915e-03 2.64974530e-03 1.03501971e-03] [-6.57628047e-03 2.35581568e-03 2.69263193e-03] [-6.82008457e-03 2.45265473e-03 8.67685041e-03] [ 5.64538535e-03 -5.69589210e-03 3.45795518e-03] [ 1.20595369e-03 5.63257091e-03 -8.14658948e-03] [ 5.64414246e-03 -6.56795603e-03 -6.01758947e-05]] Final stress: [ 2.70036255e-03 -9.58011008e-04 -4.80119671e-04 -5.84454305e-04 -4.87080601e-05 8.54869035e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 65 steps. Final forces: [[ 3.37685444e-03 -6.37704661e-05 -7.89523173e-04] [ 1.16516798e-03 -5.35792364e-03 4.41902292e-03] [ 2.03695610e-03 -8.24692883e-04 -1.04725325e-02] [ 2.50149154e-03 5.64823178e-04 -5.28602718e-03] [-3.31644306e-03 -3.98967478e-03 1.88680252e-03] [-1.63395458e-03 1.88764017e-03 6.13576079e-03] [-6.79796086e-03 -4.71773131e-03 -6.69110409e-03] [-3.22194603e-03 7.85939412e-03 -1.34661696e-04] [ 7.26109232e-03 2.16964741e-03 2.10227870e-03] [ 7.30600553e-03 -1.09943590e-04 5.67541771e-03] [-8.70751048e-03 7.28281678e-04 3.45687239e-03] [-6.56169589e-03 -2.96106893e-03 -6.80174159e-04] [-2.24580847e-04 6.68053568e-03 3.50374799e-03] [-2.98915621e-03 1.21044247e-03 1.47373869e-03] [-4.98438488e-03 -1.19585964e-03 2.25535392e-03] [ 1.28390695e-03 -6.31694590e-03 5.16779232e-03] [-1.34134650e-03 -3.73739827e-03 -4.05547487e-03] [-5.39206323e-04 -2.09625988e-03 -4.69598714e-04] [ 1.08037231e-02 2.82296677e-03 1.39797931e-03] [-4.84413561e-03 5.83028606e-03 -1.41069610e-03] [ 5.46673297e-03 1.87597089e-03 -1.15796665e-03] [-1.27161045e-03 -3.42521929e-03 4.07717034e-03] [ 9.20167605e-04 -6.89887154e-04 -6.02029386e-03] [ 4.31183317e-03 3.85638732e-03 -4.38388458e-03]] Final stress: [ 1.72751208e-03 -8.10237004e-04 -1.37538222e-04 -6.91673453e-04 3.51704729e-05 -8.03679984e-04] Minimization converged after 77 steps. Minimization converged after 76 steps. Minimization converged after 128 steps. Minimization converged after 129 steps. Minimization converged after 127 steps. Minimization converged after 127 steps. Minimization converged after 78 steps. Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-8.31505635e-03 1.13000830e-02 -3.38397100e-03] [ 8.31645700e-03 -1.12987899e-02 -3.38523105e-03] [ 8.31119190e-03 1.13040081e-02 3.38019532e-03] [-8.31494419e-03 -1.13003536e-02 3.38382566e-03] [-5.51033277e-03 1.23026174e-04 4.06008222e-03] [ 5.51059108e-03 -1.22643561e-04 4.05957111e-03] [ 5.51086886e-03 1.22221887e-04 -4.05938858e-03] [-5.51096869e-03 -1.22055202e-04 -4.05905415e-03] [ 6.46292979e-04 -1.95986528e-03 -7.01406928e-03] [ 6.46867530e-04 1.95954464e-03 7.01360561e-03] [-6.46165556e-04 1.95993905e-03 -7.01421307e-03] [-6.46465139e-04 -1.95989640e-03 7.01410799e-03] [ 1.79865109e-03 -7.43937137e-03 1.15674351e-02] [-1.79862731e-03 -7.43929605e-03 -1.15673893e-02] [ 1.79909997e-03 7.43900649e-03 -1.15676971e-02] [-1.79944684e-03 7.43866572e-03 1.15679127e-02] [ 5.60472672e-03 9.16110776e-05 -3.18480494e-03] [-5.60570524e-03 -9.20665472e-05 -3.18486172e-03] [-5.60386991e-03 8.98698491e-05 3.18609287e-03] [ 5.60545838e-03 -9.08758145e-05 3.18495245e-03] [-2.62214432e-03 2.04369514e-03 5.62863858e-03] [ 2.62176729e-03 -2.04418407e-03 5.63001519e-03] [ 2.62486089e-03 2.04176115e-03 -5.62673155e-03] [-2.62310737e-03 -2.04403440e-03 -5.62902312e-03]] Final stress: [-1.82400180e-03 1.91703466e-03 4.66532568e-04 7.45901266e-11 -9.61661862e-10 4.34542129e-10] Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 50 steps. Minimization converged after 55 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.00732106 -0.00331752 0.0018432 ] [-0.00732319 0.00331527 0.00184561] [-0.00732845 -0.00331014 -0.00185082] [ 0.00732031 0.0033181 -0.00184249] [-0.01822234 -0.00930778 0.00505514] [ 0.01822285 0.00930852 0.00505434] [ 0.01822306 -0.00930883 -0.00505432] [-0.01822298 0.00930879 -0.00505411] [ 0.0046102 0.01079996 0.01025666] [ 0.00461074 -0.01080027 -0.01025716] [-0.00460933 -0.01079931 0.01025558] [-0.00460952 0.01079929 -0.0102556 ] [-0.0128894 -0.00099385 -0.00215513] [ 0.01288898 -0.0009931 0.00215488] [-0.01288885 0.00099336 0.00215478] [ 0.0128881 0.00099233 -0.00215427] [-0.02444961 0.00260527 0.00750556] [ 0.02444955 -0.00260495 0.0075035 ] [ 0.02445163 0.00260297 -0.00750234] [-0.02444857 -0.00260486 -0.00750562] [ 0.00171101 0.00428659 -0.00244616] [-0.00170931 -0.00428437 -0.00244613] [-0.00170645 0.00428187 0.00244967] [ 0.0017105 -0.00428734 0.00244522]] Final stress: [ 2.22202652e-03 -3.94928021e-04 -1.99878795e-03 2.10570802e-09 -5.48526315e-10 1.32006848e-10] Minimization converged after 45 steps. Minimization converged after 55 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-0.00331794 0.00184021 0.00732375] [ 0.00331729 -0.00184087 0.00732441] [ 0.00331342 0.00184497 -0.00732831] [-0.00331306 -0.00184532 -0.00732866] [ 0.01080227 0.01025302 0.00461553] [-0.01080229 -0.01025307 0.0046156 ] [-0.01080156 0.01025188 -0.00461462] [ 0.0108016 -0.01025195 -0.00461471] [-0.00099632 -0.0021578 -0.01288742] [-0.0009956 0.0021575 0.01288696] [ 0.00099639 0.00215785 -0.0128875 ] [ 0.0009956 -0.00215749 0.01288696] [-0.00930621 0.00505158 -0.01821967] [ 0.00930652 0.00505136 0.01821991] [-0.00930668 -0.00505121 0.01822001] [ 0.00930634 -0.00505149 -0.01821975] [ 0.0026054 0.00750686 -0.02444953] [-0.00260509 -0.0075067 -0.02444973] [-0.0026044 0.00750453 0.0244509 ] [ 0.00260418 -0.00750444 0.02445093] [ 0.00428681 -0.00244477 0.00171106] [-0.00428653 0.00244518 0.00171062] [-0.00428343 -0.00244678 -0.00170853] [ 0.00428332 0.00244695 -0.00170822]] Final stress: [-3.95002915e-04 -1.99876846e-03 2.22202239e-03 2.65646776e-11 2.75513491e-11 1.79671232e-09] Minimization converged after 106 steps. Minimization converged after 100 steps. Minimization converged after 77 steps. Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[ 0.01503337 0.00944318 -0.02645118] [-0.00379828 0.00866158 0.01555335] [-0.0139002 0.00830003 0.0275141 ] [ 0.00191805 0.01054619 -0.01374144] [-0.01677691 -0.00714048 0.03789919] [ 0.01548377 0.00062708 0.01511006] [ 0.0165514 -0.0068076 -0.03820095] [-0.01521362 0.00024104 -0.01545807] [-0.00476621 0.01755759 -0.01690422] [ 0.01497294 0.01336452 0.02485497] [-0.01514128 0.01332958 -0.02478592] [ 0.00510373 0.0173839 0.01718946] [-0.01663596 0.00663094 -0.00887996] [ 0.01647657 0.00677886 0.00877887] [-0.03872485 -0.02144904 0.01322819] [ 0.0388059 -0.02141706 -0.01328829] [-0.00611553 -0.04588921 0.00946916] [-0.00938872 0.03287441 -0.00311773] [ 0.00589645 -0.04518963 -0.00966203] [ 0.00979278 0.03199306 0.00253623] [ 0.01048039 0.01110162 -0.00720107] [ 0.0126644 -0.02574673 -0.02034629] [-0.01140393 0.01141031 0.00652713] [-0.01131426 -0.02660416 0.01937644]] Final stress: [-8.97610646e-04 4.81730904e-03 7.76220548e-04 2.22567607e-08 4.93222875e-04 -1.54107647e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[ 0.00180965 -0.01065192 0.01360279] [-0.01504772 -0.00944915 -0.0263874 ] [-0.00392274 -0.00855372 -0.01569555] [ 0.01387378 -0.00829734 0.02757985] [-0.01526655 -0.00031943 0.01538881] [ 0.01667444 0.00697336 0.03806119] [ 0.01543868 -0.00054548 -0.01519142] [-0.01665084 0.0069622 -0.03806267] [ 0.01521258 -0.01321854 -0.0246034 ] [-0.00470759 -0.01764701 0.01678611] [ 0.00516833 -0.01730244 -0.01732917] [-0.01489805 -0.01350295 0.02505112] [-0.03885489 0.02131382 -0.01329645] [ 0.03869986 0.02155963 0.01322121] [-0.01667817 -0.00654841 0.00889837] [ 0.01645694 -0.00684368 -0.00877703] [ 0.00984247 -0.03212962 -0.00233112] [ 0.00615704 0.04562285 0.00920071] [-0.00934044 -0.03275957 0.00331623] [-0.00585608 0.04548996 -0.009943 ] [-0.01134874 0.02688636 -0.01942398] [-0.01063732 -0.0107438 -0.0070557 ] [ 0.01264137 0.02548072 0.0203149 ] [ 0.01123397 -0.01177583 0.00667559]] Final stress: [-8.97483783e-04 4.81772184e-03 7.76470826e-04 6.26614443e-08 -4.93224765e-04 6.41686835e-08] Minimization converged after 74 steps. Minimization converged after 76 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-0.01278967 -0.01104417 0.00889085] [ 0.01369179 0.01201028 0.00789017] [-0.03081712 0.00508902 0.00782538] [ 0.03496064 -0.00912419 0.00376762] [-0.02045403 0.01279154 0.00231638] [ 0.02019304 -0.01313703 0.00272595] [ 0.00454947 -0.01081567 -0.04410342] [-0.00458085 0.01082663 -0.04421474] [ 0.02438617 0.01397964 0.00730519] [-0.00691235 -0.00128738 -0.00314881] [-0.02489001 -0.01437149 0.0079408 ] [ 0.0062299 0.00185142 -0.00401773] [-0.00524932 0.0194353 0.02788218] [-0.01095995 0.03901072 0.01420191] [ 0.01085477 -0.03911212 0.01429104] [ 0.00592254 -0.01871667 0.02748975] [ 0.00559395 -0.02478072 0.0009322 ] [-0.00541295 0.02464776 0.00193052] [ 0.0083967 -0.01095428 -0.00862482] [-0.00981486 0.01199296 -0.00695709] [ 0.00421647 0.03731145 -0.01774663] [-0.0049962 -0.03832739 -0.01792456] [-0.01996757 0.00239223 0.0046098 ] [ 0.01784943 0.00033218 0.00673807]] Final stress: [-1.14634812e-03 4.11639586e-03 4.22197199e-04 -1.38281616e-07 7.38468580e-07 4.93734126e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[ 0.03338255 0.00759848 -0.00529724] [-0.03236269 -0.00660599 -0.006295 ] [ 0.01333081 -0.01162933 -0.00827624] [-0.01314139 0.01142328 -0.00849078] [-0.00456315 -0.01079896 0.0441556 ] [ 0.00455759 0.01079925 0.04412448] [ 0.02028683 0.01300512 -0.00256898] [-0.0203513 -0.01291948 -0.00246644] [-0.00665754 0.00149927 0.00347585] [ 0.02457013 -0.01412705 -0.00755261] [ 0.00649262 -0.00163578 0.00368588] [-0.02468933 0.01421946 -0.00770286] [ 0.0108984 0.03906046 -0.01425216] [ 0.00566071 0.01898198 -0.02762271] [-0.0054929 -0.01915934 -0.0277208 ] [-0.0109303 -0.03904147 -0.0142267 ] [-0.00928813 -0.01159536 0.00758936] [ 0.00893488 0.01133889 0.00799445] [-0.00547778 -0.0246891 -0.00155512] [ 0.00553446 0.02471354 -0.00132135] [ 0.01863962 0.00069384 -0.00593472] [-0.01915819 -0.00136085 -0.00540537] [-0.00469521 0.03792463 0.01786258] [ 0.00451931 -0.03769547 0.01780089]] Final stress: [-1.14668926e-03 4.11503209e-03 4.22010042e-04 -3.36508672e-08 -1.88520586e-07 -4.93737595e-04] Minimization converged after 74 steps. Minimization converged after 73 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-3.38562201e-03 -8.31746765e-03 1.12988869e-02] [ 3.38506716e-03 8.31688262e-03 1.12994904e-02] [ 3.38309289e-03 -8.31481425e-03 -1.13014834e-02] [-3.38407147e-03 8.31581823e-03 -1.13004607e-02] [ 1.15682079e-02 1.79908110e-03 -7.43973660e-03] [-1.15681830e-02 -1.79905337e-03 -7.43977508e-03] [-1.15678787e-02 1.79855301e-03 7.44014371e-03] [ 1.15679031e-02 -1.79857996e-03 7.44014089e-03] [ 4.05835383e-03 -5.51126888e-03 1.22492733e-04] [ 4.05863902e-03 5.51115224e-03 -1.22659922e-04] [-4.05815047e-03 5.51141914e-03 1.22247641e-04] [-4.05844095e-03 -5.51130441e-03 -1.22427225e-04] [-7.01438131e-03 6.45620746e-04 -1.96011220e-03] [ 7.01442646e-03 6.45650745e-04 1.96015896e-03] [-7.01439274e-03 -6.45610007e-04 1.96014320e-03] [ 7.01424094e-03 -6.45794405e-04 -1.96002274e-03] [-3.18462566e-03 5.60593140e-03 9.19343409e-05] [ 3.18466359e-03 -5.60580034e-03 9.15121424e-05] [ 3.18518888e-03 5.60479858e-03 -9.09616589e-05] [-3.18486811e-03 -5.60499480e-03 -9.14823125e-05] [ 5.62978214e-03 -2.62168824e-03 2.04427586e-03] [-5.62943667e-03 2.62216529e-03 2.04412804e-03] [-5.62805371e-03 -2.62302206e-03 -2.04299557e-03] [ 5.62853891e-03 2.62232528e-03 -2.04343738e-03]] Final stress: [ 4.66481812e-04 -1.82406467e-03 1.91703375e-03 5.06912379e-11 5.19972430e-11 5.83180912e-10] Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 50 steps. Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.00182793 0.00732021 -0.00330785] [-0.0018342 -0.00732627 -0.0033018 ] [-0.0018295 0.00732178 0.00330627] [ 0.00183286 -0.00732493 0.00330315] [-0.00215995 -0.01285655 -0.00101218] [ 0.0021597 0.01285613 -0.00101148] [ 0.00216006 -0.01285668 0.0010123 ] [-0.00215963 0.01285605 0.00101141] [ 0.0050215 -0.01818353 -0.00928335] [ 0.00502126 0.01818378 0.00928368] [-0.00502089 0.01818406 -0.00928413] [-0.00502118 -0.0181838 0.00928377] [ 0.01023243 0.00461258 0.01078992] [-0.01023259 0.00461281 -0.01079 ] [ 0.01023123 -0.00461163 -0.01078918] [-0.01023141 -0.00461187 0.01078927] [ 0.00749269 -0.02441835 0.00260369] [-0.00748993 0.02442003 0.00260192] [-0.00749231 -0.02441875 -0.00260288] [ 0.00749026 0.02441976 -0.00260266] [-0.00243575 0.00170549 0.00428112] [ 0.00243857 -0.00170182 0.0042771 ] [ 0.00243667 0.00170436 -0.00428049] [-0.00243782 -0.00170286 -0.0042776 ]] Final stress: [-1.99918641e-03 2.21846086e-03 -3.94661504e-04 8.00798482e-11 1.88247947e-09 1.45209092e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[ 0.00811421 -0.01355241 -0.01180539] [ 0.00689761 -0.0317386 0.0060022 ] [ 0.00468402 0.03403403 -0.00821267] [ 0.00866335 0.01291874 0.0112381 ] [ 0.02781409 -0.00534418 0.01928697] [ 0.01414566 -0.01106269 0.03914175] [ 0.01431777 0.01079448 -0.03899015] [ 0.02754531 0.00578974 -0.01887269] [ 0.00238125 -0.02039132 0.01286421] [ 0.00266754 0.02023883 -0.01307523] [-0.04406937 0.00458055 -0.01083432] [-0.04426083 -0.00452242 0.01073589] [ 0.00757087 0.02458657 0.01414213] [-0.00340606 -0.00671115 -0.00145006] [ 0.00770951 -0.02469933 -0.01421954] [-0.00375495 0.00643873 0.00168249] [ 0.0013752 0.00577234 -0.02459698] [-0.00816074 0.00865259 -0.01116891] [-0.00742319 -0.00958292 0.0117724 ] [ 0.00151437 -0.00524968 0.0248111 ] [-0.01747202 0.00466623 0.03791175] [ 0.00498482 -0.01945125 0.00171951] [ 0.00635445 0.01837474 -0.00033451] [-0.01819287 -0.00454165 -0.03774802]] Final stress: [ 4.22120747e-04 -1.14656202e-03 4.11555909e-03 4.93768909e-04 -6.06602857e-08 6.44152463e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-0.006438 0.03221216 0.00646103] [-0.00854271 0.01308985 -0.01137172] [-0.00822455 -0.01337674 0.0116789 ] [-0.00515003 -0.03352733 -0.00774183] [-0.01421816 0.01094022 0.03903532] [-0.02773308 0.0054622 0.01918732] [-0.02760852 -0.00567589 -0.01895921] [-0.0142464 -0.01090692 -0.03906759] [ 0.04412574 -0.00454942 -0.01078426] [ 0.04416099 0.00455944 0.01078782] [-0.00245414 0.02035713 0.01290934] [-0.0025841 -0.02027431 -0.01301898] [ 0.00371831 -0.00646909 0.00165532] [-0.00773727 0.02471142 -0.01423705] [ 0.00344249 0.00668573 -0.00147627] [-0.00753541 -0.02455141 0.01411261] [ 0.008058 -0.00888984 -0.01129996] [-0.00128492 -0.00553671 -0.02471777] [-0.00160198 0.00547944 0.02467541] [ 0.00752858 0.00933994 0.01162961] [-0.0053303 0.01923888 0.00145965] [ 0.01780251 -0.0044806 0.03765374] [ 0.01785867 0.00472837 -0.03797657] [-0.00600572 -0.01856654 -0.00059485]] Final stress: [ 4.21978834e-04 -1.14678265e-03 4.11465773e-03 -4.93753557e-04 4.39244783e-08 2.34160593e-07] Minimization converged after 74 steps. Minimization converged after 74 steps. Minimization converged after 106 steps. Minimization converged after 104 steps. Minimization converged after 77 steps. Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[-0.0268036 0.0146459 0.00905325] [ 0.02717539 -0.01428194 0.00869689] [-0.01502082 0.00324005 0.00923052] [ 0.01428128 -0.00249212 0.0099736 ] [-0.00882083 -0.01653992 0.00674462] [ 0.00886369 0.01661748 0.00664273] [ 0.01325176 -0.03876476 -0.02147708] [-0.0132754 0.03881448 -0.02139599] [ 0.0380784 -0.01666278 -0.00696201] [ 0.01533271 0.01532081 0.00039003] [-0.03807184 0.0166602 -0.00696604] [-0.01525875 -0.01538452 0.00047445] [-0.0171611 -0.00502133 0.01741556] [ 0.02491541 0.01500527 0.01341316] [-0.02476818 -0.01510586 0.0133194 ] [ 0.01697363 0.00486 0.01753435] [ 0.00945813 -0.00605529 -0.04558529] [-0.0097005 0.00596021 -0.04555754] [ 0.0029939 0.0095052 0.03257169] [-0.00265228 -0.00968196 0.03234119] [-0.00692148 0.01084733 0.01109615] [ 0.00681087 -0.0110241 0.01143239] [ 0.02003389 -0.01223233 -0.02594889] [-0.01971429 0.01176999 -0.02643715]] Final stress: [ 7.76759271e-04 -8.97295917e-04 4.81831466e-03 2.51542990e-08 -2.16206454e-08 4.93246178e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[ 0.01505252 0.00331331 -0.00914684] [-0.01427293 -0.00244113 -0.01004239] [ 0.02859926 0.01286629 -0.00729563] [-0.02553235 -0.01603105 -0.01045314] [-0.01338339 -0.03908532 0.02129007] [ 0.01320162 0.0387824 0.02160868] [ 0.0089034 -0.01671672 -0.00659255] [-0.0089421 0.01674553 -0.00666291] [ 0.01514773 -0.01550017 -0.00063426] [ 0.03797124 0.01685098 0.0071841 ] [-0.01551811 0.01523305 -0.0002311 ] [-0.03847835 -0.01644774 0.00661453] [-0.02470269 0.01536089 -0.01329837] [ 0.01715023 -0.00503615 -0.017554 ] [-0.01725797 0.00496747 -0.01747341] [ 0.02530154 -0.01473941 -0.01366378] [-0.00274651 0.00954502 -0.03298124] [ 0.00283453 -0.0096809 -0.03218372] [-0.01025043 -0.00567553 0.0450995 ] [ 0.00912655 0.00636699 0.04641499] [-0.02027797 -0.01249775 0.02635523] [ 0.01961335 0.01162901 0.02627639] [ 0.00609518 0.01201296 -0.0121301 ] [-0.00763433 -0.00982203 -0.01050005]] Final stress: [ 7.79816504e-04 -8.95767475e-04 4.82403834e-03 -1.88796988e-07 2.97818810e-08 -4.93401873e-04] Minimization converged after 75 steps. Minimization converged after 76 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 1.13004832e-02 -3.38378589e-03 -8.31534661e-03] [-1.13002186e-02 3.38403678e-03 -8.31560699e-03] [-1.12999417e-02 -3.38432459e-03 8.31588296e-03] [ 1.12997043e-02 3.38454855e-03 8.31611736e-03] [-1.96004202e-03 -7.01423090e-03 6.45806743e-04] [ 1.96005277e-03 7.01424529e-03 6.45774666e-04] [ 1.95997098e-03 -7.01413559e-03 -6.45894795e-04] [-1.96002176e-03 7.01422528e-03 -6.45809143e-04] [-7.43967030e-03 1.15678332e-02 1.79892755e-03] [-7.43977868e-03 -1.15677843e-02 -1.79883045e-03] [ 7.43965922e-03 -1.15678439e-02 1.79893980e-03] [ 7.43982274e-03 1.15677480e-02 -1.79876311e-03] [ 1.22399466e-04 4.05851478e-03 -5.51110994e-03] [-1.22480585e-04 4.05857700e-03 5.51105754e-03] [ 1.22545900e-04 -4.05863625e-03 5.51101349e-03] [-1.22415104e-04 -4.05853636e-03 -5.51109281e-03] [ 9.13135756e-05 -3.18501191e-03 5.60510688e-03] [-9.14395442e-05 3.18492031e-03 5.60512173e-03] [-9.14611557e-05 -3.18482342e-03 -5.60526810e-03] [ 9.15451552e-05 3.18475172e-03 -5.60535153e-03] [ 2.04333569e-03 5.62861970e-03 -2.62272637e-03] [-2.04345413e-03 -5.62879040e-03 -2.62250703e-03] [-2.04376760e-03 5.62888665e-03 2.62236774e-03] [ 2.04385811e-03 -5.62900367e-03 2.62219042e-03]] Final stress: [ 1.91702232e-03 4.66496298e-04 -1.82404859e-03 -1.07785721e-10 -9.76099788e-11 -2.11707445e-10] Minimization converged after 46 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[ 0.00882778 -0.02706511 0.01440802] [ 0.00901403 -0.01522934 0.00346288] [ 0.01018251 0.01408683 -0.00229208] [ 0.00892343 0.02700688 -0.01449472] [ 0.01742875 -0.01727239 -0.00509289] [ 0.01347399 0.02498533 0.01504207] [ 0.01341391 -0.02489552 -0.0150646 ] [ 0.01757475 0.01703837 0.00486204] [ 0.00671318 -0.00886252 -0.01662112] [ 0.0065884 0.00892744 0.01673107] [-0.02147435 0.01328062 -0.03887758] [-0.0214231 -0.01327924 0.03888922] [-0.00686897 0.03822445 -0.01662008] [ 0.00033933 0.01540614 0.01529714] [-0.00697875 -0.03812272 0.01669041] [ 0.00052703 -0.01523851 -0.01543205] [-0.04559203 0.00958571 -0.00601763] [ 0.03276665 0.00302463 0.00947398] [ 0.03230914 -0.00257859 -0.00973766] [-0.0457951 -0.00970812 0.00601571] [ 0.01121947 -0.00680053 0.01100348] [-0.02595013 0.02019861 -0.01243166] [-0.02659583 -0.01964502 0.01164774] [ 0.01137591 0.00693258 -0.0108417 ]] Final stress: [ 4.82218761e-03 7.78776703e-04 -8.96233976e-04 4.93336450e-04 6.85531939e-08 -2.32832250e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 44 steps. Final forces: [[-0.00931495 0.01488158 0.00313819] [-0.00729689 0.02851737 0.01288272] [-0.01044798 -0.025447 -0.01604351] [-0.00988997 -0.014416 -0.00258734] [-0.01316178 -0.02451143 0.01536927] [-0.01753196 0.01696618 -0.00494011] [-0.01741008 -0.01714001 0.00493549] [-0.0135464 0.02513934 -0.01473741] [ 0.02126494 -0.01335129 -0.03892603] [ 0.02159986 0.01316874 0.03861795] [-0.0066454 0.00882404 -0.01656396] [-0.00675095 -0.00884494 0.01656241] [-0.00060829 0.0151242 -0.01546543] [ 0.00723952 0.03781435 0.01685447] [-0.00025491 -0.01545016 0.01523426] [ 0.00669708 -0.03829619 -0.01646839] [-0.03277784 -0.0027184 0.00955941] [ 0.04491477 -0.01015319 -0.00565765] [ 0.04618189 0.00898772 0.006354 ] [-0.03210304 0.00293159 -0.00962263] [ 0.02630848 -0.02012296 -0.01232256] [-0.01209962 0.00610898 0.0120162 ] [-0.01041539 -0.00762108 -0.00985643] [ 0.02604892 0.01960856 0.01166708]] Final stress: [ 4.81733792e-03 7.76331945e-04 -8.97605242e-04 -4.93227192e-04 -1.71504200e-07 3.62642400e-08] Minimization converged after 75 steps. Minimization converged after 74 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-0.01276869 0.00714365 -0.01452801] [-0.00741327 0.00549569 0.03323569] [ 0.01027764 0.00963135 0.01195183] [ 0.00679857 0.00609159 -0.03254287] [ 0.01431483 0.00783621 0.02480052] [-0.00161805 -0.00366686 -0.00650415] [-0.01404423 0.00742868 -0.02448438] [ 0.00151978 -0.00349338 0.00664425] [ 0.01915721 0.0277773 -0.00543121] [ 0.03930768 0.01408327 -0.01118004] [-0.03882487 0.01439338 0.01065752] [-0.01899815 0.02758806 0.00571848] [ 0.01291581 0.00241834 -0.0203495 ] [-0.01302097 0.00262984 0.02028674] [-0.01092404 -0.04399783 0.00464495] [ 0.01067447 -0.04432873 -0.0044685 ] [-0.02437413 0.00185489 0.00603248] [ 0.01159358 -0.00787727 -0.00940604] [ 0.02504433 0.00102588 -0.00498612] [-0.01135228 -0.00770765 0.00882083] [ 0.03861721 -0.01707016 0.00521051] [-0.00095036 0.00607772 0.01885166] [-0.03703903 -0.01859711 -0.00400185] [ 0.00110697 0.00526316 -0.01897279]] Final stress: [ 4.11600129e-03 4.22169176e-04 -1.14646727e-03 6.89373667e-07 4.93756059e-04 1.49952179e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[ 0.00682561 -0.00606946 0.03258393] [ 0.01111575 -0.00879184 -0.0128109 ] [-0.00738875 -0.00551115 -0.0331843 ] [-0.01192743 -0.0079843 0.01365855] [ 0.00157207 0.00358603 -0.00657175] [-0.01414889 -0.00759568 0.02460664] [-0.00155943 0.00357448 0.00657943] [ 0.01421265 -0.00768782 -0.02467721] [ 0.03914689 -0.01417068 0.01102874] [ 0.01913841 -0.0277285 0.00548493] [-0.01902033 -0.02762728 -0.00564517] [-0.03898222 -0.01428956 -0.01083225] [-0.01082542 0.04409898 -0.00458063] [ 0.01073681 0.04422715 0.00451999] [ 0.01293628 -0.00246854 0.02033639] [-0.01300326 -0.00257914 -0.02029177] [-0.01138228 0.00783246 -0.00895361] [ 0.02481638 -0.00133979 0.00531605] [ 0.011557 0.00775166 0.009284 ] [-0.02458726 -0.00155238 -0.00570691] [ 0.00117024 -0.00543265 0.0190237 ] [-0.03758899 0.01811323 0.00441994] [-0.00088277 -0.00590555 -0.01880045] [ 0.03806893 0.01755031 -0.00478736]] Final stress: [ 4.11533894e-03 4.22090832e-04 -1.14661622e-03 3.09848349e-07 -4.93770307e-04 6.24250319e-09] Minimization converged after 73 steps. Minimization converged after 73 steps. Minimization converged after 105 steps. Minimization converged after 107 steps. Minimization converged after 78 steps. Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-1.82839102e-04 -8.65421573e-05 -4.64188575e-04] [ 8.70883142e-04 6.40206698e-04 -7.12009513e-04] [ 8.74744849e-04 -6.43944663e-04 7.15775953e-04] [-1.79296969e-04 8.31360221e-05 4.60734571e-04] [-2.76451940e-05 -1.47041863e-04 -4.94654556e-05] [-7.11695052e-06 -1.52736099e-04 -7.96775349e-05] [-6.89040742e-06 1.52357991e-04 8.02577549e-05] [-2.73656093e-05 1.46574012e-04 4.88190065e-05] [ 1.67285145e-04 2.20872788e-04 -5.81281916e-05] [ 1.67069458e-04 -2.20674237e-04 5.83910096e-05] [-2.72079989e-04 -2.47369112e-04 -5.92122130e-05] [-2.72298854e-04 2.47584749e-04 5.89110933e-05] [-5.57043793e-04 -2.17629735e-04 -4.79864506e-05] [-6.89929883e-04 6.74785913e-04 -2.49143005e-04] [-5.57999328e-04 2.18413717e-04 4.85968189e-05] [-6.88977745e-04 -6.73996335e-04 2.48524808e-04] [ 7.52319733e-05 -3.77506477e-04 -1.54362533e-05] [ 1.07418115e-04 -7.12048436e-04 2.02544030e-04] [ 1.05465558e-04 7.13118253e-04 -2.03370800e-04] [ 7.33875520e-05 3.78380768e-04 1.61980759e-05] [ 6.44845936e-04 1.84275780e-04 2.74862895e-04] [-1.29390393e-04 -2.25047461e-04 2.27732221e-04] [-1.30946597e-04 2.27149948e-04 -2.30519358e-04] [ 6.43489087e-04 -1.82320061e-04 -2.72210887e-04]] Final stress: [ 5.64120816e-05 -1.29079375e-05 -2.53708867e-05 9.47517398e-04 7.49324594e-10 -6.17635104e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-8.71628221e-04 -6.33769885e-04 -7.15741596e-04] [ 1.86175170e-04 8.88614972e-05 -4.71050869e-04] [ 1.70676594e-04 -7.40477796e-05 4.55961052e-04] [-8.91623801e-04 6.53205076e-04 7.35260368e-04] [-9.59981751e-06 1.49328188e-04 -9.56917181e-05] [ 3.60945568e-05 1.51653528e-04 -6.36746259e-05] [ 3.45692937e-05 -1.49152840e-04 6.03439353e-05] [-1.04626576e-05 -1.47847283e-04 9.81861378e-05] [ 2.74613186e-04 2.44877628e-04 -5.44443054e-05] [ 2.75329834e-04 -2.45746134e-04 5.32921161e-05] [-1.63736768e-04 -2.24096851e-04 -5.53651918e-05] [-1.62422250e-04 2.23018349e-04 5.68383542e-05] [ 7.04959874e-04 6.79789871e-04 2.50319619e-04] [ 5.69156125e-04 -2.32092584e-04 5.97159341e-05] [ 7.09739096e-04 -6.83731939e-04 -2.53418859e-04] [ 5.64737336e-04 2.28457566e-04 -5.69005171e-05] [-1.07267852e-04 7.38212211e-04 2.06293543e-04] [-8.44168426e-05 3.77417713e-04 -1.59857231e-05] [-7.58624201e-05 -3.80913758e-04 1.91735710e-05] [-9.75361667e-05 -7.43993224e-04 -2.10727010e-04] [ 1.31701378e-04 2.23649080e-04 2.31241155e-04] [-6.64420188e-04 -1.85767040e-04 2.84327400e-04] [-6.59070669e-04 1.77043163e-04 -2.72509330e-04] [ 1.40295211e-04 -2.34354552e-04 -2.45443439e-04]] Final stress: [ 5.56893996e-05 -1.34621845e-05 -2.60580304e-05 -9.47487388e-04 -3.50586611e-09 -8.20904876e-10] Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-4.61357637e-04 -1.79103871e-04 -8.23552121e-05] [ 7.11395538e-04 8.70307037e-04 -6.39301559e-04] [ 4.65025484e-04 -1.82946752e-04 8.57441083e-05] [-7.25420257e-04 8.84620094e-04 6.53435766e-04] [-5.01526300e-05 -5.62002723e-04 -2.24041740e-04] [-2.50243595e-04 -6.93333147e-04 6.76686755e-04] [ 4.89369549e-05 -5.60040093e-04 2.22414627e-04] [ 2.52059419e-04 -6.96090084e-04 -6.78942824e-04] [-4.95779898e-05 -2.76071139e-05 -1.45937369e-04] [-8.22920790e-05 -7.89442365e-06 -1.54129322e-04] [ 8.19601712e-05 -7.60420736e-06 1.53734379e-04] [ 5.21489433e-05 -2.90703685e-05 1.48273217e-04] [-6.05342885e-05 1.65870090e-04 2.21852056e-04] [ 5.93551669e-05 1.67203506e-04 -2.22664090e-04] [-5.87844462e-05 -2.69269788e-04 -2.46715161e-04] [ 5.88661703e-05 -2.69615028e-04 2.46569165e-04] [-1.56182452e-05 7.21291931e-05 -3.81984225e-04] [-2.02959989e-04 1.09671111e-04 7.15676863e-04] [ 1.50589550e-05 7.56428776e-05 3.82382097e-04] [ 2.06330245e-04 1.03761760e-04 -7.20787032e-04] [ 2.70345869e-04 6.47132305e-04 1.82507882e-04] [-2.25415531e-04 -1.25542853e-04 2.22941522e-04] [-2.74057269e-04 6.46795760e-04 -1.85317296e-04] [ 2.34931040e-04 -1.33013283e-04 -2.30042607e-04]] Final stress: [-2.54642511e-05 5.64107884e-05 -1.29840125e-05 1.21492729e-09 9.47505423e-04 -1.74034787e-09] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.20345464e-04 -8.79144877e-04 -6.48355097e-04] [ 4.63210957e-04 1.81511941e-04 -8.43738374e-05] [ 7.15666866e-04 -8.74376941e-04 6.43618652e-04] [-4.62939641e-04 1.81199513e-04 8.42058930e-05] [ 2.51272602e-04 6.94094265e-04 6.77694440e-04] [ 4.95222431e-05 5.60461408e-04 -2.22982842e-04] [-2.50714059e-04 6.93250926e-04 -6.77008271e-04] [-4.98034024e-05 5.60921642e-04 2.23372048e-04] [-8.16558937e-05 7.85318555e-06 1.54055280e-04] [-5.08385169e-05 2.80955083e-05 1.47169897e-04] [ 5.17071069e-05 2.86226705e-05 -1.47999930e-04] [ 8.17120306e-05 7.65618111e-06 -1.53770708e-04] [-5.79266261e-05 2.69449578e-04 2.46764656e-04] [ 5.78347489e-05 2.69693024e-04 -2.46790382e-04] [-6.10460933e-05 -1.66187214e-04 -2.21867173e-04] [ 6.06045522e-05 -1.66706387e-04 2.22160271e-04] [ 2.04694721e-04 -1.05788500e-04 7.18542035e-04] [ 1.53444473e-05 -7.44114507e-05 -3.82199266e-04] [-2.03525614e-04 -1.07605906e-04 -7.16736176e-04] [-1.52778701e-05 -7.35997834e-05 3.81721916e-04] [ 2.31761572e-04 1.30392471e-04 2.27751752e-04] [-2.72258227e-04 -6.46211227e-04 1.83533589e-04] [-2.28664580e-04 1.27714870e-04 -2.25443411e-04] [ 2.71664141e-04 -6.46884898e-04 -1.83063337e-04]] Final stress: [-2.54530755e-05 5.64046344e-05 -1.29762500e-05 5.57512848e-10 -9.47506646e-04 4.94966072e-10] Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-8.57861200e-05 -4.64690879e-04 -1.83120005e-04] [ 8.09993787e-05 4.59834107e-04 -1.78137612e-04] [ 6.41071778e-04 -7.14198841e-04 8.72203428e-04] [-6.46485806e-04 7.19651000e-04 8.77794481e-04] [ 2.22904583e-04 -5.75692763e-05 1.66294277e-04] [-2.22618328e-04 5.79475706e-05 1.65977611e-04] [-2.45670373e-04 -5.97138853e-05 -2.70871610e-04] [ 2.45947066e-04 5.93420658e-05 -2.71136691e-04] [-2.21238183e-04 -4.91499364e-05 -5.58943890e-04] [ 6.77179069e-04 -2.50467464e-04 -6.94490274e-04] [ 2.22357905e-04 5.00208448e-05 -5.60311208e-04] [-6.76018175e-04 2.49558549e-04 -6.93081270e-04] [-1.47313946e-04 -5.10441398e-05 -2.85294056e-05] [-1.53200163e-04 -8.34246343e-05 -5.30641267e-06] [ 1.52675366e-04 8.42390218e-05 -4.99411015e-06] [ 1.46669827e-04 5.01339600e-05 -2.81398391e-05] [-3.80557523e-04 -1.52453446e-05 7.54157879e-05] [ 3.81776527e-04 1.62898645e-05 7.27657217e-05] [-7.18353217e-04 2.03747669e-04 1.07441878e-04] [ 7.19878658e-04 -2.04961837e-04 1.04605317e-04] [ 1.84355484e-04 2.74538288e-04 6.48174042e-04] [-1.81609506e-04 -2.70817039e-04 6.46313312e-04] [-2.25009557e-04 2.28517515e-04 -1.28824994e-04] [ 2.28045254e-04 -2.32537177e-04 -1.31098533e-04]] Final stress: [-1.30139746e-05 -2.54957113e-05 5.63045112e-05 9.90912353e-10 -1.53818800e-10 9.47507296e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-6.45601743e-04 -7.17424730e-04 -8.76462236e-04] [ 6.45531926e-04 7.17097554e-04 -8.76042811e-04] [ 7.87352085e-05 -4.57791027e-04 1.75773135e-04] [-9.00185192e-05 4.68956434e-04 1.87128834e-04] [ 2.47443555e-04 -5.77849183e-05 2.71037980e-04] [-2.46710939e-04 5.89209336e-05 2.69730429e-04] [-2.21886899e-04 -5.96745090e-05 -1.66905101e-04] [ 2.21820173e-04 5.98864951e-05 -1.66298772e-04] [ 6.77382130e-04 2.50939538e-04 6.93811428e-04] [-2.21137570e-04 4.85798354e-05 5.59053704e-04] [-6.76423507e-04 -2.50250013e-04 6.92675333e-04] [ 2.22740601e-04 -4.98884972e-05 5.61037929e-04] [ 1.52405548e-04 -8.27291528e-05 6.57434335e-06] [ 1.47444993e-04 -5.06706245e-05 2.80953663e-05] [-1.46666628e-04 5.04549917e-05 2.75606236e-05] [-1.54586230e-04 8.05086692e-05 7.94027301e-06] [ 7.16333796e-04 2.03928944e-04 -1.05565441e-04] [-7.17690562e-04 -2.04160387e-04 -1.07420977e-04] [ 3.83369504e-04 -1.67514415e-05 -7.19182386e-05] [-3.78944714e-04 1.40500628e-05 -7.61197584e-05] [ 2.27067334e-04 2.30923167e-04 1.28604882e-04] [-2.26016841e-04 -2.29657670e-04 1.30457593e-04] [-1.80864850e-04 2.68645021e-04 -6.43157760e-04] [ 1.86274235e-04 -2.76108675e-04 -6.49590758e-04]] Final stress: [-1.29645257e-05 -2.54425208e-05 5.64165063e-05 1.13090129e-09 -1.00942702e-09 -9.47508749e-04] Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.01516796 0.00525449 0.00933439] [-0.01516796 -0.00525449 0.00933439] [-0.01516795 0.00525449 -0.00933439] [ 0.01516795 -0.00525448 -0.00933438] [ 0.02068276 0.03540329 0.04098618] [-0.02068276 -0.03540329 0.04098618] [-0.02068276 0.0354033 -0.04098618] [ 0.02068276 -0.03540329 -0.04098618] [ 0.0164068 0.01575774 0.02247886] [ 0.0164068 -0.01575774 -0.02247886] [-0.0164068 -0.01575774 0.02247886] [-0.0164068 0.01575774 -0.02247886] [ 0.00871865 0.01566703 0.00839761] [-0.00871865 0.01566703 -0.00839762] [ 0.00871865 -0.01566703 -0.00839762] [-0.00871865 -0.01566703 0.00839761] [ 0.00545932 -0.01987662 0.01765538] [-0.00545932 0.01987662 0.01765538] [-0.00545932 -0.01987661 -0.01765538] [ 0.00545932 0.01987661 -0.01765538] [-0.00219275 0.03030745 0.01238513] [ 0.00219275 -0.03030745 0.01238513] [ 0.00219275 0.03030746 -0.01238513] [-0.00219274 -0.03030746 -0.01238513]] Final stress: [ 1.77186202e-03 -6.98887359e-04 -3.41880011e-04 1.30604096e-12 -8.84795195e-13 -2.29417082e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00677332 0.00850735 0.01364049] [ 0.00677332 -0.00850736 0.01364049] [ 0.00677333 0.00850735 -0.01364048] [-0.00677333 -0.00850735 -0.01364048] [ 0.0077909 0.01904225 0.01888665] [-0.0077909 -0.01904224 0.01888665] [-0.0077909 0.01904225 -0.01888665] [ 0.0077909 -0.01904225 -0.01888665] [ 0.03374795 0.00469187 -0.00579377] [ 0.03374795 -0.00469187 0.00579377] [-0.03374795 -0.00469187 -0.00579377] [-0.03374795 0.00469187 0.00579377] [-0.01290989 0.02819116 -0.00481073] [ 0.01290989 0.02819116 0.00481073] [-0.0129099 -0.02819116 0.00481073] [ 0.0129099 -0.02819116 -0.00481073] [ 0.0007958 0.00331209 -0.0137211 ] [-0.0007958 -0.00331209 -0.01372111] [-0.0007958 0.00331209 0.0137211 ] [ 0.0007958 -0.00331209 0.0137211 ] [ 0.01600468 0.01168928 -0.00448508] [-0.01600467 -0.01168927 -0.00448508] [-0.01600468 0.01168928 0.00448508] [ 0.01600468 -0.01168928 0.00448508]] Final stress: [ 3.65966599e-04 -6.93478244e-05 4.20046563e-03 1.75238539e-12 -4.49549202e-12 -1.30830829e-12] Minimization converged after 48 steps. Minimization converged after 54 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00850759 0.01365274 -0.00676486] [-0.00850759 -0.01365274 -0.00676486] [-0.00850759 0.01365274 0.00676486] [ 0.0085076 -0.01365275 0.00676486] [ 0.00469265 -0.00578492 0.03375852] [-0.00469266 0.00578492 0.03375852] [-0.00469265 -0.00578492 -0.03375852] [ 0.00469265 0.00578492 -0.03375852] [ 0.02818039 -0.00482397 -0.01291029] [ 0.02818039 0.00482397 0.01291029] [-0.02818039 0.00482397 -0.01291029] [-0.02818039 -0.00482397 0.01291029] [ 0.01905116 0.01890433 0.00779896] [-0.01905116 0.01890433 -0.00779896] [ 0.01905116 -0.01890433 -0.00779896] [-0.01905116 -0.01890433 0.00779896] [ 0.00330468 -0.01374211 0.00079634] [-0.00330468 0.01374211 0.00079634] [-0.00330468 -0.01374211 -0.00079634] [ 0.00330468 0.01374211 -0.00079634] [ 0.01169334 -0.00447619 0.01600643] [-0.01169334 0.00447619 0.01600643] [-0.01169334 -0.00447619 -0.01600643] [ 0.01169334 0.0044762 -0.01600643]] Final stress: [-6.94806547e-05 4.20109816e-03 3.66128996e-04 -2.18639999e-12 -4.04370252e-13 1.10980544e-12] Minimization converged after 53 steps. Minimization converged after 48 steps. Minimization converged after 56 steps. Minimization converged after 99 steps. Minimization converged after 95 steps. Minimization converged after 74 steps. Minimization converged after 75 steps. Minimization converged after 93 steps. Minimization converged after 94 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. Minimization converged after 94 steps. Minimization converged after 91 steps. Minimization converged after 73 steps. Minimization converged after 72 steps. Minimization converged after 55 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00932119 0.0151494 0.00523982] [-0.0093212 -0.01514941 0.00523983] [-0.00932119 0.0151494 -0.00523982] [ 0.0093212 -0.0151494 -0.00523982] [ 0.00840366 0.00874191 0.01568131] [-0.00840366 -0.00874191 0.01568131] [-0.00840366 0.00874191 -0.01568131] [ 0.00840366 -0.00874191 -0.01568131] [ 0.04098128 0.0206806 0.03540157] [ 0.04098128 -0.0206806 -0.03540157] [-0.04098128 -0.0206806 0.03540157] [-0.04098128 0.0206806 -0.03540157] [ 0.02249247 0.01640946 0.01575718] [-0.02249247 0.01640946 -0.01575718] [ 0.02249247 -0.01640946 -0.01575718] [-0.02249247 -0.01640946 0.01575718] [ 0.01764768 0.00545979 -0.01985721] [-0.01764768 -0.00545979 -0.01985721] [-0.01764768 0.00545979 0.01985721] [ 0.01764768 -0.00545979 0.01985721] [ 0.01240043 -0.00216758 0.03031385] [-0.01240043 0.00216758 0.03031385] [-0.01240043 -0.00216758 -0.03031386] [ 0.01240043 0.00216758 -0.03031385]] Final stress: [-3.42004481e-04 1.77154686e-03 -6.98679838e-04 -1.18088420e-12 7.55468500e-13 1.84540816e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.01362221 -0.00677738 0.0084968 ] [-0.01362221 0.00677738 0.0084968 ] [-0.0136222 -0.00677738 -0.00849679] [ 0.01362221 0.00677737 -0.0084968 ] [-0.00480197 -0.01289922 0.02818504] [ 0.00480197 0.01289921 0.02818504] [ 0.00480197 -0.01289922 -0.02818504] [-0.00480197 0.01289922 -0.02818504] [ 0.01886239 0.00777826 0.01902262] [ 0.01886239 -0.00777826 -0.01902262] [-0.01886239 -0.00777826 0.01902263] [-0.01886239 0.00777826 -0.01902263] [-0.00579536 0.03371536 0.00468523] [ 0.00579536 0.03371536 -0.00468523] [-0.00579536 -0.03371536 -0.00468523] [ 0.00579537 -0.03371535 0.00468523] [-0.0136859 0.00079706 0.00332996] [ 0.0136859 -0.00079706 0.00332996] [ 0.0136859 0.00079706 -0.00332996] [-0.0136859 -0.00079706 -0.00332996] [-0.00449824 0.01598983 0.01166384] [ 0.00449823 -0.01598983 0.01166384] [ 0.00449823 0.01598983 -0.01166384] [-0.00449824 -0.01598983 -0.01166384]] Final stress: [ 4.19795106e-03 3.65202476e-04 -6.94981606e-05 -1.29819867e-12 1.04892428e-12 -2.38362562e-12] Minimization converged after 48 steps. Minimization converged after 54 steps. Minimization converged after 57 steps. Minimization converged after 100 steps. Minimization converged after 99 steps. Minimization converged after 72 steps. Minimization converged after 74 steps. Minimization converged after 105 steps. Minimization converged after 94 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 93 steps. Minimization converged after 94 steps. Minimization converged after 72 steps. Minimization converged after 75 steps. Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00527314 0.00934442 0.01517873] [-0.00527313 -0.00934441 0.01517872] [-0.00527314 0.00934442 -0.01517873] [ 0.00527314 -0.00934442 -0.01517873] [ 0.01575572 0.02246249 0.01640407] [-0.01575572 -0.02246249 0.01640407] [-0.01575572 0.02246249 -0.01640407] [ 0.01575571 -0.02246249 -0.01640407] [ 0.01565024 0.00838545 0.0087014 ] [ 0.01565024 -0.00838545 -0.00870141] [-0.01565024 -0.00838545 0.0087014 ] [-0.01565024 0.00838545 -0.00870141] [ 0.03541693 0.0409848 0.02068729] [-0.03541693 0.04098479 -0.02068729] [ 0.03541693 -0.04098479 -0.02068729] [-0.03541693 -0.04098479 0.02068729] [-0.01989311 0.01766193 0.00546307] [ 0.01989311 -0.01766193 0.00546307] [ 0.01989311 0.01766193 -0.00546307] [-0.01989311 -0.01766193 -0.00546307] [ 0.0302912 0.01236873 -0.00221783] [-0.0302912 -0.01236873 -0.00221783] [-0.0302912 0.01236873 0.00221783] [ 0.0302912 -0.01236872 0.00221783]] Final stress: [-6.99254107e-04 -3.41843407e-04 1.77158784e-03 -3.26099638e-13 -3.20978412e-12 5.31418362e-12] Minimization converged after 95 steps. Minimization converged after 93 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. Minimization converged after 99 steps. Minimization converged after 93 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. Minimization converged after 106 steps. Minimization converged after 104 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 57 steps. Minimization converged after 44 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.0039062 0.00308722 0.00605337] [ 0.00390621 -0.0030872 0.00605335] [ 0.0039062 0.00308721 -0.00605337] [-0.0039062 -0.00308721 -0.00605336] [ 0.00387729 0.01179389 0.00746478] [-0.00387729 -0.01179388 0.00746478] [-0.00387729 0.01179388 -0.00746478] [ 0.00387729 -0.01179388 -0.00746478] [ 0.01200495 0.00265701 -0.00161414] [ 0.01200495 -0.00265701 0.00161414] [-0.01200495 -0.00265701 -0.00161414] [-0.01200495 0.00265701 0.00161414] [-0.00648591 0.00994599 -0.00382445] [ 0.00648591 0.00994599 0.00382445] [-0.0064859 -0.00994599 0.00382445] [ 0.0064859 -0.00994599 -0.00382445] [ 0.00137699 0.00096215 -0.00587804] [-0.001377 -0.00096215 -0.00587804] [-0.00137699 0.00096214 0.00587804] [ 0.001377 -0.00096215 0.00587804] [ 0.00855273 0.00337091 -0.00430781] [-0.00855273 -0.00337092 -0.0043078 ] [-0.00855273 0.00337092 0.00430781] [ 0.00855273 -0.00337092 0.0043078 ]] Final stress: [-1.77607441e-04 -3.45152434e-04 2.15180346e-03 1.24425175e-12 -3.15787158e-12 -7.49805289e-13] Minimization converged after 50 steps. Minimization converged after 51 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00228079 0.00530823 -0.00440567] [-0.00228079 -0.00530823 -0.00440567] [-0.00228078 0.00530822 0.00440568] [ 0.00228077 -0.00530821 0.00440568] [ 0.00217986 -0.00144506 0.01248873] [-0.00217986 0.00144506 0.01248873] [-0.00217986 -0.00144506 -0.01248873] [ 0.00217986 0.00144506 -0.01248873] [ 0.01066801 -0.00373845 -0.00634875] [ 0.01066801 0.00373845 0.00634875] [-0.01066801 0.00373845 -0.00634875] [-0.01066801 -0.00373845 0.00634875] [ 0.01119066 0.00729063 0.00361387] [-0.01119066 0.00729063 -0.00361387] [ 0.01119066 -0.00729063 -0.00361387] [-0.01119066 -0.00729063 0.00361387] [ 0.00212083 -0.00430418 0.00208764] [-0.00212083 0.00430418 0.00208764] [-0.00212083 -0.00430417 -0.00208764] [ 0.00212084 0.00430417 -0.00208765] [ 0.00265913 -0.00452546 0.00771947] [-0.00265913 0.00452546 0.00771947] [-0.00265914 -0.00452546 -0.00771948] [ 0.00265914 0.00452546 -0.00771948]] Final stress: [-3.28190852e-04 2.13721933e-03 -1.64456660e-04 5.71921367e-13 -8.39002158e-13 -7.30163227e-13] Minimization converged after 53 steps. Minimization converged after 49 steps. Minimization converged after 58 steps. Minimization converged after 88 steps. Minimization converged after 89 steps. Minimization converged after 75 steps. Minimization converged after 73 steps. Minimization converged after 97 steps. Minimization converged after 98 steps. Minimization converged after 74 steps. Minimization converged after 73 steps. Minimization converged after 92 steps. Minimization converged after 95 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. Minimization converged after 55 steps. Minimization converged after 45 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00595515 -0.00397852 0.00385343] [-0.00595515 0.00397853 0.00385342] [-0.00595515 -0.00397852 -0.00385342] [ 0.00595514 0.00397853 -0.00385341] [-0.00312649 -0.00696026 0.01035184] [ 0.00312649 0.00696026 0.01035184] [ 0.00312649 -0.00696026 -0.01035184] [-0.00312649 0.00696026 -0.01035184] [ 0.00670185 0.00361375 0.01189881] [ 0.00670185 -0.00361376 -0.01189881] [-0.00670185 -0.00361375 0.01189881] [-0.00670184 0.00361375 -0.0118988 ] [-0.00165077 0.01172501 0.00326266] [ 0.00165077 0.01172501 -0.00326266] [-0.00165077 -0.01172501 -0.00326266] [ 0.00165077 -0.01172501 0.00326266] [-0.00549116 0.00139876 0.00065239] [ 0.00549116 -0.00139877 0.00065239] [ 0.00549116 0.00139876 -0.00065239] [-0.00549116 -0.00139877 -0.00065239] [-0.00435869 0.00851288 0.00332083] [ 0.00435869 -0.00851288 0.00332084] [ 0.00435869 0.00851288 -0.00332083] [-0.00435868 -0.00851288 -0.00332084]] Final stress: [ 2.12669012e-03 -1.79553599e-04 -3.44319664e-04 -2.28988937e-12 -2.37605033e-12 1.00060322e-12] Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 56 steps. Minimization converged after 89 steps. Minimization converged after 89 steps. Minimization converged after 73 steps. Minimization converged after 72 steps. Minimization converged after 88 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-4.42041332e-03 -1.03952386e-02 1.14437013e-03] [ 1.23461817e-02 1.11866184e-02 -2.08623353e-02] [-5.47260322e-05 -5.66932596e-03 -5.48932711e-03] [-1.64879886e-03 6.43150428e-05 9.99448507e-03] [-6.69016185e-03 -1.89992541e-02 -8.94813679e-03] [ 5.23074938e-03 2.00776547e-02 1.74337803e-03] [ 7.75107002e-03 -2.07123013e-02 1.03412795e-02] [-6.64902134e-03 2.23050364e-02 2.45654696e-05] [-2.23095899e-03 -1.57910473e-02 -2.36033416e-03] [-1.72895060e-03 -3.92754202e-03 -4.09093694e-03] [ 2.34869983e-03 -3.90295674e-03 4.01504156e-03] [ 2.20084485e-04 -1.47046233e-02 6.76395458e-04] [-2.02538686e-02 -6.40607244e-03 -3.35312702e-03] [ 2.12141432e-02 -7.40565141e-03 4.02113338e-03] [-4.48628366e-03 1.79856461e-02 2.48398113e-03] [ 4.29443197e-03 1.80957999e-02 -2.28494568e-03] [ 1.05625215e-02 7.57791735e-03 -1.55765594e-02] [-7.35258219e-03 -4.13456123e-03 -1.00234846e-02] [-9.75453422e-03 4.26712602e-03 1.60806077e-02] [ 4.83187460e-03 5.16068994e-04 1.39066088e-02] [-1.11748321e-02 -3.91875094e-03 5.06789730e-03] [-1.90323926e-03 6.48122569e-03 9.86690788e-03] [ 1.51178444e-02 -4.71118474e-03 -2.05483717e-03] [-5.56922993e-03 1.21211015e-02 -4.32262705e-03]] Final stress: [ 1.16364768e-04 -1.31206693e-03 1.42168839e-03 -5.69502065e-07 -1.60528705e-04 2.50972874e-06] Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 96 steps. Minimization converged after 98 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 55 steps. Minimization converged after 45 steps. Minimization converged after 89 steps. Minimization converged after 90 steps. Minimization converged after 74 steps. Minimization converged after 74 steps. Minimization converged after 104 steps. Minimization converged after 99 steps. Minimization converged after 72 steps. Minimization converged after 73 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 45 steps. Final forces: [[-1.78842921e-02 -9.43073823e-03 -8.11965361e-03] [ 1.34735049e-02 4.92756786e-03 -3.38407944e-03] [-7.87305170e-03 2.28788425e-03 3.57721135e-03] [-1.15055865e-03 6.59940422e-03 1.28356739e-02] [-2.25555920e-03 -4.18202663e-03 -1.80556256e-02] [ 2.79551676e-03 4.94472659e-03 -1.88238560e-02] [ 3.94170909e-03 -2.14093156e-02 7.05377458e-03] [-3.72086888e-03 2.11647787e-02 7.04501711e-03] [ 1.42161600e-03 -5.59800177e-03 -2.10275455e-02] [-9.16504562e-03 6.81959598e-03 1.94622988e-02] [-1.63672843e-04 6.56109266e-03 -2.25797534e-02] [ 1.06879171e-02 -8.03531598e-03 2.13733893e-02] [ 3.45111578e-03 -2.80615164e-03 3.63443894e-03] [ 1.43454191e-03 -9.03678504e-04 1.55603333e-02] [-1.64536861e-03 1.57715609e-03 1.56784953e-02] [-4.77448286e-03 1.17283874e-03 4.49153858e-03] [-1.19715726e-02 6.65861324e-03 3.34305719e-03] [ 1.27238076e-02 -5.78984556e-03 3.11308800e-04] [ 1.77854672e-02 9.34992149e-03 -4.09602553e-03] [-1.46637655e-02 -1.14258906e-02 -8.09454350e-03] [ 8.71322367e-03 -4.41284699e-05 -9.00446442e-03] [-5.84284043e-03 3.83322331e-03 -1.01473477e-02] [-1.32190488e-03 -1.65446368e-02 6.75869483e-03] [ 6.00456384e-03 1.02729265e-02 2.20766254e-03]] Final stress: [ 1.43467800e-03 1.10048816e-04 -1.30865905e-03 2.25257767e-06 -4.54345167e-07 1.59979651e-04] Minimization converged after 88 steps. Minimization converged after 73 steps. Minimization converged after 74 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00598921 -0.00601803 0.00241519] [-0.00598921 0.00601803 0.00241518] [-0.00598921 -0.00601803 -0.00241519] [ 0.00598921 0.00601803 -0.00241518] [-0.00665443 -0.02319193 0.00894589] [ 0.00665443 0.02319193 0.00894588] [ 0.00665443 -0.02319193 -0.00894589] [-0.00665443 0.02319193 -0.00894588] [ 0.00453204 0.00393499 0.00445079] [ 0.00453204 -0.003935 -0.00445079] [-0.00453204 -0.003935 0.00445079] [-0.00453203 0.00393499 -0.00445079] [-0.00230854 0.01996948 0.00482223] [ 0.00230854 0.01996948 -0.00482223] [-0.00230854 -0.01996948 -0.00482223] [ 0.00230854 -0.01996948 0.00482223] [-0.01261141 0.00133489 -0.00601449] [ 0.01261141 -0.00133489 -0.00601449] [ 0.01261141 0.00133489 0.00601449] [-0.01261141 -0.00133489 0.00601449] [ 0.0097482 0.00992769 0.00840919] [-0.00974821 -0.00992769 0.00840919] [-0.00974821 0.00992769 -0.00840919] [ 0.00974821 -0.00992769 -0.00840919]] Final stress: [ 2.54744537e-03 -1.89989521e-05 -4.18630809e-04 2.00254916e-13 -3.43691691e-12 -2.80912470e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-0.03099272 -0.02400838 -0.02562053] [ 0.03099271 0.02400837 -0.02562052] [ 0.03099272 -0.02400838 0.02562053] [-0.03099271 0.02400837 0.02562051] [-0.00555423 -0.02260904 0.00014204] [ 0.00555422 0.02260902 0.00014205] [ 0.00555423 -0.02260903 -0.00014204] [-0.00555422 0.02260902 -0.00014204] [-0.00638101 -0.00867521 -0.03981572] [-0.00638103 0.00867522 0.03981574] [ 0.00638102 0.00867522 -0.03981574] [ 0.00638102 -0.00867521 0.03981572] [ 0.00086982 0.03227028 0.01030299] [-0.00086981 0.03227027 -0.01030299] [ 0.00086981 -0.03227028 -0.01030299] [-0.00086982 -0.03227028 0.01030299] [-0.00668197 0.0410628 0.02782463] [ 0.00668196 -0.0410628 0.02782462] [ 0.00668197 0.04106281 -0.02782463] [-0.00668197 -0.0410628 -0.02782462] [ 0.02070965 0.00509087 -0.01688297] [-0.02070965 -0.00509087 -0.01688298] [-0.02070965 0.00509087 0.01688297] [ 0.02070964 -0.00509086 0.01688298]] Final stress: [-1.90845186e-04 3.33563421e-04 2.50130298e-03 -6.78586895e-12 2.81347365e-11 1.62698162e-11] Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 55 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-0.02394419 -0.02552308 -0.03088481] [ 0.02394418 0.02552307 -0.0308848 ] [ 0.02394421 -0.02552309 0.03088482] [-0.02394421 0.0255231 0.03088483] [-0.00863061 -0.03961429 -0.00633471] [ 0.00863061 0.0396143 -0.00633472] [ 0.00863061 -0.03961429 0.00633471] [-0.0086306 0.03961428 0.0063347 ] [ 0.03212801 0.01022041 0.00085995] [ 0.032128 -0.01022041 -0.00085995] [-0.03212801 -0.01022041 0.00085995] [-0.03212801 0.01022041 -0.00085995] [-0.02247792 0.00017892 -0.00552251] [ 0.02247791 0.00017893 0.0055225 ] [-0.02247792 -0.00017893 0.00552251] [ 0.02247791 -0.00017893 -0.0055225 ] [ 0.04090321 0.02769513 -0.00662561] [-0.0409032 -0.02769513 -0.00662561] [-0.04090321 0.02769514 0.0066256 ] [ 0.04090321 -0.02769514 0.00662561] [ 0.00506719 -0.01679566 0.02063951] [-0.00506718 0.01679567 0.0206395 ] [-0.0050672 -0.01679566 -0.02063951] [ 0.00506721 0.01679565 -0.02063952]] Final stress: [ 3.31755309e-04 2.49260379e-03 -1.90311865e-04 2.30455864e-11 3.54619013e-12 -1.90176835e-12] Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 57 steps. Minimization converged after 104 steps. Minimization converged after 105 steps. Minimization converged after 75 steps. Minimization converged after 76 steps. Minimization converged after 96 steps. Minimization converged after 97 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 105 steps. Minimization converged after 92 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00241511 0.00598935 -0.00601873] [-0.0024151 -0.00598935 -0.00601873] [-0.00241511 0.00598935 0.00601873] [ 0.0024151 -0.00598934 0.00601873] [ 0.0048234 -0.00230796 0.01997246] [-0.0048234 0.00230796 0.01997246] [-0.0048234 -0.00230796 -0.01997246] [ 0.0048234 0.00230796 -0.01997246] [ 0.00894556 -0.0066539 -0.0231922 ] [ 0.00894556 0.0066539 0.02319221] [-0.00894556 0.0066539 -0.02319221] [-0.00894556 -0.0066539 0.02319221] [ 0.00445182 0.00453236 0.00393618] [-0.00445182 0.00453236 -0.00393618] [ 0.00445182 -0.00453236 -0.00393618] [-0.00445182 -0.00453236 0.00393618] [-0.00601541 -0.01261396 0.00133718] [ 0.00601541 0.01261395 0.00133718] [ 0.00601541 -0.01261396 -0.00133718] [-0.00601541 0.01261395 -0.00133718] [ 0.00840981 0.0097468 0.00992826] [-0.00840981 -0.0097468 0.00992827] [-0.00840981 0.0097468 -0.00992826] [ 0.00840982 -0.0097468 -0.00992827]] Final stress: [-4.18631874e-04 2.54761504e-03 -1.89553826e-05 -3.76902206e-13 -2.28588093e-12 -3.29838538e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-2.58464258e-02 -3.12439929e-02 -2.42153995e-02] [ 2.58464368e-02 3.12440034e-02 -2.42154100e-02] [ 2.58464053e-02 -3.12439721e-02 2.42153786e-02] [-2.58464178e-02 3.12439837e-02 2.42153907e-02] [ 1.04487642e-02 9.41539702e-04 3.25673984e-02] [-1.04487649e-02 -9.41540975e-04 3.25673980e-02] [-1.04487618e-02 9.41536535e-04 -3.25673954e-02] [ 1.04487624e-02 -9.41537626e-04 -3.25673950e-02] [ 9.19537847e-05 -5.62284496e-03 -2.29371794e-02] [ 9.19541063e-05 5.62284569e-03 2.29371812e-02] [-9.19505489e-05 5.62284730e-03 -2.29371842e-02] [-9.19560974e-05 -5.62284436e-03 2.29371785e-02] [-4.03149273e-02 -6.51515376e-03 -8.83557827e-03] [ 4.03149403e-02 -6.51516342e-03 8.83558542e-03] [-4.03149266e-02 6.51515333e-03 8.83557794e-03] [ 4.03149206e-02 6.51514888e-03 -8.83557449e-03] [ 2.80965109e-02 -6.84898993e-03 4.14574341e-02] [-2.80965252e-02 6.84899305e-03 4.14574329e-02] [-2.80965041e-02 -6.84899675e-03 -4.14574278e-02] [ 2.80965151e-02 6.84899571e-03 -4.14574299e-02] [-1.71015875e-02 2.08977919e-02 5.15319087e-03] [ 1.71015853e-02 -2.08977973e-02 5.15319771e-03] [ 1.71016048e-02 2.08977818e-02 -5.15318100e-03] [-1.71016059e-02 -2.08977870e-02 -5.15318928e-03]] Final stress: [ 2.52193830e-03 -1.92641014e-04 3.37879620e-04 3.28052119e-12 1.75050184e-11 2.22893220e-11] Minimization converged after 51 steps. Minimization converged after 50 steps. Minimization converged after 56 steps. Minimization converged after 104 steps. Minimization converged after 102 steps. Minimization converged after 74 steps. Minimization converged after 74 steps. Minimization converged after 106 steps. Minimization converged after 104 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 93 steps. Minimization converged after 97 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 57 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00601702 0.0024138 0.00598692] [ 0.00601702 -0.0024138 0.00598691] [ 0.00601702 0.0024138 -0.00598692] [-0.00601701 -0.00241381 -0.00598692] [ 0.00393343 0.00444763 0.00452935] [-0.00393344 -0.00444763 0.00452936] [-0.00393343 0.00444763 -0.00452935] [ 0.00393343 -0.00444763 -0.00452935] [ 0.0199644 0.00481929 -0.00231013] [ 0.0199644 -0.00481929 0.00231013] [-0.0199644 -0.00481929 -0.00231013] [-0.0199644 0.00481929 0.00231013] [-0.02318743 0.00894304 -0.00665321] [ 0.02318743 0.00894303 0.00665321] [-0.02318743 -0.00894303 0.00665321] [ 0.02318743 -0.00894303 -0.00665321] [ 0.00133444 -0.00601302 -0.0126089 ] [-0.00133444 0.00601302 -0.0126089 ] [-0.00133444 -0.00601302 0.0126089 ] [ 0.00133444 0.00601302 0.0126089 ] [ 0.00992513 0.00840668 0.00974388] [-0.00992514 -0.00840668 0.00974389] [-0.00992513 0.00840668 -0.00974389] [ 0.00992513 -0.00840667 -0.00974388]] Final stress: [-1.91396516e-05 -4.18669757e-04 2.54709565e-03 -2.58517312e-12 -1.27546736e-12 1.05802417e-12] Minimization converged after 96 steps. Minimization converged after 98 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 109 steps. Minimization converged after 104 steps. Minimization converged after 75 steps. Minimization converged after 74 steps. Minimization converged after 100 steps. Minimization converged after 108 steps. Minimization converged after 75 steps. Minimization converged after 76 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 55 steps. Minimization converged after 47 steps. Minimization converged after 49 steps. Minimization converged after 52 steps. Minimization converged after 52 steps. Minimization converged after 56 steps. Minimization converged after 50 steps. Minimization converged after 53 steps. Minimization converged after 52 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-0.00303866 -0.00057538 0.01684123] [ 0.00299905 0.00053349 0.01688407] [ 0.00292913 -0.00046091 -0.01695411] [-0.00299974 0.00053335 -0.01688082] [ 0.02311815 0.02575034 0.00902315] [-0.02311447 -0.02574462 0.00901767] [-0.02310531 0.02572968 -0.00900731] [ 0.02310884 -0.02573508 -0.00900992] [ 0.0148282 -0.00119041 0.00191186] [ 0.01483728 0.00118643 -0.00191735] [-0.01481649 0.00119912 0.00189865] [-0.01482591 -0.0011953 -0.00190494] [ 0.00441397 0.01358654 -0.01065431] [-0.0044179 0.01359402 0.01065256] [ 0.00441703 -0.01358881 0.01065316] [-0.00442855 -0.01360206 -0.01064554] [ 0.00322882 0.00785836 -0.01744394] [-0.00322338 -0.0078486 -0.01746937] [-0.0032011 0.00781718 0.01748816] [ 0.0032275 -0.00783134 0.01745605] [ 0.01195315 0.00338144 0.00810266] [-0.01192625 -0.00334575 0.00809065] [-0.01188025 0.00331475 -0.00804917] [ 0.0119169 -0.00336643 -0.0080831 ]] Final stress: [ 1.38536624e-04 -1.92299771e-03 2.37571745e-03 1.37252107e-08 4.47165801e-09 2.05255831e-08] Minimization converged after 94 steps. Minimization converged after 107 steps. Minimization converged after 80 steps. Minimization converged after 79 steps. Minimization converged after 95 steps. Minimization converged after 95 steps. Minimization converged after 75 steps. Minimization converged after 77 steps. The following exception was caught during minimization: Exception('ERROR on proc 0: Non-numeric atom coords - simulation unstable (src/domain.cpp:551)\nLast command: r') Minimization stalled after 44 steps. Final forces: The following exception was caught during Hessian or Jacobian calculation: Exception('ERROR on proc 0: Non-numeric atom coords - simulation unstable (src/domain.cpp:551)\nLast command: c') Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.01,_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)) The following exception was caught during Hessian or Jacobian calculation: Exception('ERROR on proc 0: Non-numeric atom coords - simulation unstable (src/domain.cpp:551)\nLast command: c') R E S U L T S Elastic constants [GPa]: [[96.82162 42.59819 48.60206 0.20581 0.1358 0.06521] [42.59819 96.51274 42.55563 -1.01408 0.20852 -0.03138] [48.60206 42.55563 97.44357 0.23969 -0.08592 0.2202 ] [ 0.20581 -1.01408 0.23969 97.32904 0.00018 -0.00002] [ 0.1358 0.20852 -0.08592 0.00018 97.32905 0.00004] [ 0.06521 -0.03138 0.2202 -0.00002 0.00004 97.32905]] 95 %% Error estimate [GPa]: [[ 7.72135 24803004.28293 24420316.68015 0.8554 0.38573 1.09805] [24803004.28293 9.21049 24817478.14769 1.08347 1.36901 0.70277] [24420316.68015 24817478.14769 8.20196 3.02104 1.58598 1.55618] [ 0.8554 1.08347 3.02104 0.00515 0.00038 0.00014] [ 0.38573 1.36901 1.58598 0.00038 0.00545 0.00045] [ 1.09805 0.70277 1.55618 0.00014 0.00045 0.0052 ]] Maximum deviation from material symmetry [GPa] = 6.00387 Bulk modulus [GPa] = 61.97293 Unique elastic constants for space group 198 [GPa] ['c11', 'c12', 'c44'] [96.82161606883206, 42.59819184085324, 97.3290389448546] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 1.44653 Isotropic bulk modulus [GPa] = 62.01376 Isotropic shear modulus [GPa] = 57.48197