Model name? LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Stoichiometric species (literal list of strings)? ['B', 'O'] Prototype label? A2B3_hP15_152_c_ac 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': 2.4295e-10, 'parameter-names.source-value': ['c/a', 'x1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'], 'parameter-values.source-value': [2.8251492, 0.72721032, 0.33420583, 0.21384702, 0.21511525, 0.99406851, 0.55017076, 0.074094872], 'meta.uuid': 'TE_676157938443_002-and-MO_959249795837_003-1711123877-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'O', 'O'] representative atom coordinates = [[0.33420583 0.21384702 0.21511525] [0.72721032 0. 0.33333333] [0.99406851 0.55017076 0.07409487]] spacegroup = 152 cell = [[2.4295, 0, 0], [-1.21475, 2.1040087184943, 0], [0, 0, 6.8637]] ========================================= 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 22 steps. Minimization converged after 22 steps. Minimization converged after 7 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.06707555 -0.03093406 0.03836779] [-0.04059388 0.00974481 0.01076818] [-0.06913785 0.05127483 0.03252849] [-0.06990251 0.04312543 -0.05428898] [-0.05180191 0.04067626 0.02992003] [-0.04104648 -0.00765445 0.01965531] [ 0.01067329 -0.04648066 0.04372066] [ 0.08584744 0.02405611 0.03207711] [ 0.04730751 -0.01675454 -0.0688093 ] [ 0.03267621 0.00187913 -0.01061383] [ 0.05171045 0.01313838 0.00632917] [ 0.03866956 -0.03260636 -0.04542131] [ 0.01833527 0.06656087 -0.03517117] [ 0.07130406 -0.09657851 -0.00829438] [-0.0169656 -0.01944723 0.00923224]] Final stress: [-0.03852034 0.05361084 0.00530119 -0.02242522 -0.02845997 -0.05315213] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.05179842 -0.04067716 -0.0299192 ] [-0.04104563 0.0076552 -0.01965284] [-0.06990191 -0.04312649 0.05429001] [-0.0691367 -0.0512733 -0.03252708] [-0.06707465 0.03093452 -0.03836608] [-0.04059287 -0.00974364 -0.01076829] [ 0.01067219 0.04648065 -0.04372048] [ 0.0473077 0.01675435 0.06880739] [ 0.08584623 -0.02405625 -0.03207713] [ 0.07130248 0.09657796 0.00829377] [-0.01696596 0.01944597 -0.00923145] [ 0.01833489 -0.06656083 0.03516852] [ 0.03866933 0.03260674 0.04542095] [ 0.03267501 -0.00187978 0.01061218] [ 0.05170832 -0.01313794 -0.00633027]] Final stress: [-0.03852039 0.05361085 0.00530122 -0.02242525 0.02845994 0.05315213] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.01612514 -0.00102159 -0.01245597] [-0.04504371 -0.00160546 -0.02120781] [-0.018809 -0.04474323 0.0112659 ] [-0.04840328 -0.00360154 -0.03447854] [-0.01598961 -0.00441685 0.01088888] [-0.04486989 -0.01731777 0.00417376] [-0.00104181 0.01086593 0.04762211] [ 0.03173763 0.00268301 -0.00834743] [ 0.03526446 0.02860509 -0.01255865] [ 0.00148666 0.02308899 0.01982259] [ 0.02767364 -0.02777515 0.00619288] [ 0.01445832 0.01414883 -0.01198915] [ 0.0460607 -0.03564844 -0.04193766] [-0.03868209 0.02536125 0.02167323] [ 0.07228313 0.03137694 0.02133586]] Final stress: [ 0.03518759 -0.0670371 -0.00827097 0.02543732 -0.02433219 -0.04725933] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.01599331 0.00441242 -0.01088936] [-0.04486712 0.01731888 -0.00417215] [-0.04840479 0.00359535 0.03447691] [-0.01880344 0.04474758 -0.01126588] [-0.01613203 0.00101619 0.01245698] [-0.04503963 0.00161251 0.02121035] [-0.00104098 -0.01086223 -0.04762647] [ 0.03526255 -0.02860514 0.01255711] [ 0.03174369 -0.0026865 0.00834342] [-0.03868536 -0.02536301 -0.02167039] [ 0.0722861 -0.0313745 -0.02133616] [ 0.04605763 0.03564623 0.04193582] [ 0.0144527 -0.01414312 0.01199168] [ 0.00148896 -0.02308755 -0.01981995] [ 0.02767502 0.0277729 -0.00619191]] Final stress: [ 0.03518763 -0.067037 -0.00827105 0.02543732 0.02433216 0.04725934] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-0.01653547 0.0106428 0.00717922] [-0.02871532 0.00487371 -0.01408352] [-0.00294197 -0.00450659 0.00565211] [ 0.00275449 -0.02622925 0.0085765 ] [ 0.01913133 0.01139105 -0.00543142] [ 0.01997218 -0.00545374 0.00291681] [ 0.02397957 -0.01630305 0.01742564] [-0.00899919 -0.00818914 -0.00337683] [-0.01207283 0.0375019 0.01830896] [ 0.00968781 -0.00340649 -0.01878706] [-0.01497163 0.01189835 -0.00136414] [ 0.00889239 -0.0296922 0.0131938 ] [ 0.01382444 -0.01218917 -0.01805277] [-0.0250437 0.02034044 -0.00930133] [ 0.01103788 0.00932138 -0.00285597]] Final stress: [-0.06679271 0.07932152 0.00543936 -0.03678974 -0.04263315 -0.08787497] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 0.01914092 -0.01138833 0.00543281] [ 0.01998314 0.00543397 -0.00291978] [ 0.00275688 0.02623154 -0.00857559] [-0.00296496 0.00451331 -0.00565809] [-0.01653261 -0.0106274 -0.00718687] [-0.02872061 -0.00487184 0.01409919] [ 0.02396986 0.01629083 -0.01742393] [-0.01207116 -0.03749442 -0.01829901] [-0.00899729 0.00818744 0.0033756 ] [-0.02504363 -0.02034621 0.00929983] [ 0.01103382 -0.00932054 0.00284697] [ 0.01384007 0.01219132 0.0180706 ] [ 0.00890377 0.02969393 -0.01320935] [ 0.00968219 0.00341089 0.01878594] [-0.01498038 -0.01190449 0.00136169]] Final stress: [-0.06680126 0.07933003 0.00543943 -0.03679408 0.04263033 0.08786951] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.36314106 0.21575791 -0.15402775] [ 0.23559029 -0.32458363 0.35806314] [-0.39896985 -0.48610035 0.57786053] [-0.26251832 -0.07447107 0.14756274] [-0.69397969 0.2721765 -0.74060805] [ 0.97724752 -0.07430452 -0.07643266] [-0.42090196 0.91917446 -0.85871772] [ 0.04242688 -0.18289519 0.52064644] [-0.122213 0.40635811 0.08077775] [ 0.23835516 0.14058138 -0.29721116] [-0.28708206 -0.44400325 0.42910703] [ 0.26085 -1.1050418 -1.62406917] [ 0.31865096 0.45839176 1.95597269] [ 0.06692482 -0.07339664 -0.00614304] [ 0.4087603 0.35235632 -0.31278076]] Final stress: [ 0.12851817 -0.20741379 0.03141786 0.07378523 -0.13032627 -0.28758674] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.69398471 -0.27218038 0.7406273 ] [ 0.97725208 0.07427978 0.0764145 ] [-0.26250976 0.07447783 -0.14755946] [-0.39897875 0.48610989 -0.57786378] [-0.36314695 -0.21575642 0.15403258] [ 0.23559506 0.32460985 -0.35805621] [-0.42089861 -0.91918329 0.85870991] [-0.12221263 -0.40636935 -0.08078645] [ 0.04242873 0.18288406 -0.52063702] [ 0.06694189 0.073372 0.0061446 ] [ 0.40875904 -0.3523663 0.31275694] [ 0.31865916 -0.45839637 -1.95597323] [ 0.26082419 1.10504965 1.62409068] [ 0.238363 -0.14055981 0.29720934] [-0.28709172 0.44402887 -0.42910971]] Final stress: [ 0.1285179 -0.20741393 0.03141816 0.07378601 0.13032724 0.28758844] Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-4.33164172e-02 -4.58868214e-02 -1.86604932e-02] [-2.89111682e-02 1.58244918e-02 -2.76766568e-02] [-5.53017148e-02 -4.15754902e-02 4.95901939e-02] [-6.68359987e-02 -4.47910243e-02 -3.59180185e-02] [-5.24917343e-02 3.13263827e-02 -1.02103626e-02] [-2.84553988e-02 -1.80754235e-03 -8.25504944e-03] [ 1.91433106e-02 3.62151457e-02 1.10008778e-02] [ 3.86042191e-02 2.21318014e-02 3.18284704e-02] [ 7.35709749e-02 -1.97043713e-03 -4.42317517e-02] [ 5.42232151e-02 7.44270324e-02 2.22784584e-02] [-2.55997051e-02 7.44314477e-03 9.05328608e-04] [ 7.25256758e-05 -6.98037189e-02 2.21143919e-02] [ 4.21248958e-02 3.06125098e-02 -2.39651718e-02] [ 3.28672251e-02 6.06362573e-04 2.36368058e-02] [ 4.03057705e-02 -1.27518368e-02 7.56297731e-03]] Final stress: [ 0.05817224 -0.04288506 0.00437238 0.02509304 -0.02106108 -0.04334639] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-5.24915407e-02 -3.13274376e-02 1.02106539e-02] [-2.84498136e-02 1.81232256e-03 8.25373550e-03] [-6.68355352e-02 4.47881303e-02 3.59182640e-02] [-5.52984095e-02 4.15757968e-02 -4.95919237e-02] [-4.33193395e-02 4.58792230e-02 1.86588425e-02] [-2.89080869e-02 -1.58229366e-02 2.76756931e-02] [ 1.91434134e-02 -3.62087636e-02 -1.10021681e-02] [ 7.35672126e-02 1.96493978e-03 4.42278119e-02] [ 3.86062061e-02 -2.21324923e-02 -3.18317446e-02] [ 3.28637212e-02 -6.03796177e-04 -2.36342318e-02] [ 4.03041627e-02 1.27521874e-02 -7.56078740e-03] [ 4.21263618e-02 -3.06102440e-02 2.39675060e-02] [ 7.20074772e-05 6.98066522e-02 -2.21145741e-02] [ 5.42214140e-02 -7.44274765e-02 -2.22747676e-02] [-2.56017741e-02 -7.44610516e-03 -9.02309410e-04]] Final stress: [ 0.05817201 -0.04288523 0.00437272 0.02509301 0.02106103 0.0433464 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.01386525 -0.01133599 0.01960349] [-0.03683188 0.0107411 -0.00861899] [-0.02760268 -0.0065705 0.00651471] [-0.02538633 0.04455575 -0.02021892] [-0.01962608 -0.00066325 0.02230681] [-0.04140344 0.00774317 0.02620604] [-0.01072081 0.00421299 0.03721521] [ 0.02676332 -0.00693874 -0.00305339] [ 0.01925011 0.01269771 -0.0573586 ] [-0.02218936 -0.02474841 -0.01097804] [ 0.0636465 -0.04139299 0.02169522] [ 0.02843106 0.04135522 -0.01382492] [ 0.02840765 -0.01308938 -0.05825567] [ 0.00406998 -0.01903292 0.01150913] [ 0.02705721 0.00246623 0.02725791]] Final stress: [-0.06566394 0.03485702 -0.00822693 -0.02450419 -0.02817313 -0.05305141] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.01961878 0.0006548 -0.02230476] [-0.04140697 -0.00774049 -0.02620415] [-0.02539043 -0.0445546 0.02021964] [-0.02760487 0.00656833 -0.00651258] [-0.01386107 0.01133897 -0.01960524] [-0.03683761 -0.01073413 0.00861665] [-0.0107219 -0.00421097 -0.03721737] [ 0.01924606 -0.01270059 0.05735597] [ 0.02676551 0.00693729 0.00305043] [ 0.00407014 0.01903161 -0.01150848] [ 0.02705526 -0.00247086 -0.02725432] [ 0.0284126 0.01309207 0.05825552] [ 0.02843355 -0.04135579 0.01382918] [-0.02218525 0.02474788 0.01097483] [ 0.06364377 0.04139648 -0.02169532]] Final stress: [-0.06566388 0.034857 -0.00822695 -0.02450414 0.02817315 0.05305135] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 0.06467227 0.09628703 0.00350262] [-0.02484242 0.03623372 -0.01251774] [ 0.05554105 0.0504345 0.0235297 ] [-0.04745375 -0.10719174 0.00878064] [-0.0460012 0.01638894 -0.00954131] [-0.06151317 -0.05144814 0.00953125] [ 0.09046096 0.03164994 -0.00965936] [ 0.02461531 -0.06389887 0.00387474] [-0.11744548 0.06242295 0.0937395 ] [ 0.07093264 -0.02842253 -0.08032277] [-0.0841517 0.03044666 -0.0037709 ] [ 0.0449281 -0.05062487 0.01020548] [ 0.05452718 -0.02967247 -0.04363434] [-0.08410623 0.0179574 0.00342935] [ 0.05983644 -0.01056253 0.00285317]] Final stress: [-0.01263254 0.02306833 0.00753939 -0.01312905 -0.07256399 -0.14409926] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-0.04597365 -0.0164119 0.00947366] [-0.06143365 0.05138976 -0.00945461] [-0.04749849 0.10709631 -0.00877355] [ 0.0554956 -0.0503522 -0.02345671] [ 0.06458361 -0.09623901 -0.00350963] [-0.02482994 -0.03620156 0.01245098] [ 0.09048025 -0.03164426 0.00962613] [-0.11755021 -0.06248413 -0.09381935] [ 0.02461178 0.06392582 -0.00383439] [-0.08414383 -0.0179292 -0.00342817] [ 0.05985724 0.01063217 -0.00286304] [ 0.05460716 0.02966548 0.04369259] [ 0.04499203 0.05063319 -0.01019894] [ 0.07095483 0.02845363 0.0803321 ] [-0.08415272 -0.03053408 0.00376294]] Final stress: [-0.01261361 0.02305257 0.0075374 -0.01312128 0.07255795 0.14408489] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.20872118 -0.20680329 -0.1816236 ] [ 0.32075153 -0.1351684 -0.05465694] [ 0.45545789 -0.52737509 -0.10467242] [-0.0248914 0.21940559 0.0998011 ] [-0.36299632 0.59014848 -0.23057091] [-0.30652493 0.27996339 -0.27642679] [-0.02794736 0.50413953 -0.22706968] [ 0.41851353 0.21948067 0.3707493 ] [ 0.39529065 -0.16924121 -0.12980252] [ 0.07643217 0.08449665 -0.02277653] [-0.01839175 -0.38377188 0.4343638 ] [-0.20560306 -0.48272641 -0.19131279] [-0.34016831 0.07235457 0.55038183] [-0.64166359 0.04678175 -0.32374709] [ 0.05301978 -0.11168434 0.28736324]] Final stress: [-3.07574743e-01 2.67637754e-01 -6.84130146e-05 -1.45219124e-01 3.42751132e-02 4.97444177e-02] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.36312985 -0.58996427 0.23057843] [-0.30658559 -0.28019447 0.27640959] [-0.02475861 -0.21931319 -0.09984142] [ 0.45523005 0.52740306 0.10463851] [ 0.20888522 0.20694553 0.18159797] [ 0.32072285 0.1350407 0.05464432] [-0.0279573 -0.50442123 0.22729868] [ 0.39557663 0.16940205 0.13002953] [ 0.41830144 -0.21936473 -0.37058793] [-0.6415224 -0.04684689 0.32362875] [ 0.05295629 0.11186005 -0.28749636] [-0.34017108 -0.07241506 -0.5504273 ] [-0.20547791 0.4826368 0.19119354] [ 0.07625469 -0.08454035 0.02269408] [-0.01832444 0.38377201 -0.43436036]] Final stress: [-3.07605607e-01 2.67666212e-01 -6.68691952e-05 -1.45234619e-01 -3.42897840e-02 -4.97697993e-02] Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.02483324 0.00697338 0.01083728] [ 0.01310773 0.01983591 0.00853013] [ 0.01638294 -0.0122375 0.00294143] [-0.00987719 -0.01346599 -0.01156146] [-0.01856395 0.01952749 0.04593649] [-0.01971797 0.01070538 0.02820944] [-0.00442904 -0.00169373 -0.00570663] [ 0.00625159 -0.01134367 -0.0141208 ] [ 0.00048794 0.00350313 0.00104548] [ 0.02216532 -0.00436327 0.03277169] [-0.01568652 0.02965815 0.01888022] [ 0.00340324 -0.01559251 0.00782178] [-0.02122563 -0.00995841 -0.04371667] [-0.00899956 -0.00488219 -0.00885707] [ 0.01186786 -0.01666617 -0.0730113 ]] Final stress: [ 0.00132654 0.00601866 0.01433981 -0.00203088 -0.01973712 -0.03890358] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.0185263 -0.01962261 -0.04588317] [-0.01967332 -0.01068335 -0.02821468] [-0.00982775 0.01325026 0.01164113] [ 0.01634893 0.01243907 -0.00293875] [ 0.0249506 -0.00676229 -0.0108552 ] [ 0.01321401 -0.01988895 -0.00858668] [-0.0044321 0.00170091 0.00574863] [ 0.00059459 -0.00348888 -0.0010125 ] [ 0.00635752 0.01122001 0.01401173] [-0.00920476 0.0050247 0.00884172] [ 0.0117951 0.016469 0.07304852] [-0.02127742 0.00988398 0.04373516] [ 0.00335304 0.01570777 -0.00772767] [ 0.02204255 0.00429078 -0.03286349] [-0.0157147 -0.02954041 -0.01894474]] Final stress: [ 0.00132689 0.00601811 0.01433939 -0.00202963 0.01973709 0.03889682] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 1.09833693e-02 1.04858807e-02 -3.66779300e-03] [-3.86522469e-02 -1.11256486e-03 9.49541899e-03] [-1.06409612e-02 -1.00289133e-02 3.15198863e-03] [ 2.08736523e-02 1.60207520e-02 1.66965548e-02] [ 3.58520380e-04 -4.68204125e-03 -1.05723525e-02] [ 1.45875225e-02 -9.06279519e-03 8.37074296e-03] [-6.52118945e-03 1.37298370e-03 -2.62491603e-03] [ 1.92709451e-03 2.92754970e-03 1.11120197e-03] [ 2.41081085e-03 3.31304108e-03 1.05574240e-03] [ 2.29692484e-02 1.51173672e-02 -1.75390664e-02] [-8.23031161e-03 2.34423013e-03 9.91746476e-03] [-1.55364796e-02 -2.12935070e-02 9.39724962e-03] [ 6.43511186e-03 -5.63249687e-03 -3.82930547e-03] [-9.19532550e-04 1.31307768e-02 -2.60517228e-02] [-4.46088816e-05 -1.29002627e-02 5.08879204e-03]] Final stress: [-0.01423158 -0.00855696 -0.01840718 -0.00160401 -0.03163952 -0.06510259] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.00039213 0.00462399 0.01061453] [ 0.01453891 0.00902125 -0.00835005] [ 0.02092079 -0.01609637 -0.01667943] [-0.01068192 0.01012187 -0.00316358] [ 0.01105326 -0.01036669 0.00360675] [-0.03854952 0.00100384 -0.00945682] [-0.0065772 -0.00128345 0.00275959] [ 0.00259301 -0.00342617 -0.00107801] [ 0.00192772 -0.00302314 -0.00123333] [-0.00098907 -0.01297044 0.02611641] [-0.00012083 0.01271562 -0.00506798] [ 0.00647429 0.00562804 0.00380605] [-0.0155538 0.02142834 -0.00944324] [ 0.02286874 -0.01515914 0.01752003] [-0.00829651 -0.00221755 -0.00995093]] Final stress: [-0.01425127 -0.00855112 -0.0183965 -0.00160902 0.03163481 0.06509261] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-0.11441333 0.0716162 0.00893071] [-0.20731713 0.00375872 -0.0844644 ] [ 0.2615903 -0.18527126 0.23014078] [ 0.09490991 -0.09729763 0.07408658] [ 0.03996877 -0.02892998 0.03161501] [ 0.02016014 0.050581 -0.23551273] [-0.10290155 -0.20129155 0.09063116] [-0.01554975 -0.03623412 0.06589148] [ 0.03858252 0.06712191 0.01730572] [ 0.09505339 0.062063 -0.18346594] [-0.0980691 0.23648672 -0.18340081] [-0.0520852 -0.17996403 -0.10951709] [-0.0467113 -0.06506091 0.12956293] [ 0.00329816 0.18497835 0.01936174] [ 0.08348417 0.11744358 0.12883486]] Final stress: [-0.16823859 0.15782354 0.02974311 -0.08239328 0.00791482 0.00631164] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 0.03996526 0.02885495 -0.03165034] [ 0.02023266 -0.05053761 0.23558077] [ 0.09495797 0.09721736 -0.07416578] [ 0.2616325 0.18537523 -0.2301239 ] [-0.11450045 -0.07159203 -0.00890856] [-0.20736641 -0.0037937 0.0843669 ] [-0.10288408 0.20129214 -0.09052926] [ 0.03866071 -0.06719211 -0.01732035] [-0.01576155 0.03631376 -0.06579894] [ 0.00342569 -0.18498341 -0.0194346 ] [ 0.08353822 -0.11741623 -0.12883836] [-0.04683459 0.06505829 -0.12954258] [-0.05204583 0.17992552 0.10941184] [ 0.09496072 -0.06208734 0.1835117 ] [-0.09798082 -0.23643484 0.18344146]] Final stress: [-0.1681864 0.15777796 0.02973792 -0.08236834 -0.00792258 -0.00632509] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 0.64544246 0.36735423 0.32686099] [ 0.0563902 -0.51495884 0.08871425] [-0.82406436 -0.75353982 -0.02163558] [-0.35227827 -0.39786644 -0.43588289] [ 0.53814335 -0.32597942 0.1212919 ] [ 0.84004677 0.4378256 0.26875895] [-0.39820879 0.03282968 -0.24407615] [-0.34732278 0.32009657 0.14865842] [ 0.72760586 0.49690308 0.06900276] [-0.09496636 0.2675545 0.22053538] [-1.07062522 0.60906477 0.40923132] [ 0.77481235 -0.34993723 -0.7160097 ] [ 0.49288156 0.23557042 0.29743197] [-0.57037096 0.16202222 -0.74699413] [-0.41748581 -0.58693933 0.21411251]] Final stress: [-0.02719967 -0.04400528 0.02874058 -0.00289653 -0.13434495 -0.23642968] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 0.53814462 0.32598353 -0.12129152] [ 0.84004321 -0.43782765 -0.26875825] [-0.35227617 0.39786639 0.4358847 ] [-0.82406832 0.75353962 0.02163567] [ 0.64544752 -0.36734819 -0.32686105] [ 0.05639227 0.514958 -0.08871353] [-0.39820912 -0.03282978 0.24407632] [ 0.72760241 -0.49690249 -0.06900422] [-0.34731856 -0.32009788 -0.14866058] [-0.57037512 -0.16202279 0.74699332] [-0.41748746 0.58693339 -0.21411164] [ 0.49288517 -0.2355693 -0.29743121] [ 0.77480966 0.34993622 0.71600914] [-0.09496499 -0.26755304 -0.22053615] [-1.07062512 -0.60906605 -0.40923101]] Final stress: [-0.02719968 -0.04400518 0.02874049 -0.00289653 0.13434479 0.23642938] Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.20330635 -0.20051096 0.01359398] [ 0.02807155 -0.07691375 -0.06275794] [-0.06813388 -0.02005039 0.14804169] [ 0.05115909 0.21322212 -0.05169049] [ 0.06906476 -0.02778082 -0.12613997] [ 0.13125283 0.11962968 0.06461204] [-0.12920724 -0.08626343 -0.04972544] [ 0.04060285 -0.02340433 -0.03623014] [ 0.18836127 0.02640421 -0.00108417] [-0.07843097 0.0559388 -0.04431097] [ 0.18846391 -0.10450628 0.11501389] [-0.10979917 0.15882514 0.0795655 ] [-0.06822311 -0.03584037 -0.01584794] [ 0.15720065 -0.02116313 -0.03914673] [-0.19707619 0.02241352 0.00610671]] Final stress: [ 0.12611316 -0.13845409 0.00448131 0.07093902 0.03218169 0.05311108] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.06900854 0.02790974 0.12607656] [ 0.13133121 -0.11894246 -0.06451259] [ 0.05076183 -0.21312498 0.05166533] [-0.06839591 0.0202895 -0.14816064] [-0.20346185 0.2003963 -0.01360684] [ 0.02772946 0.07717245 0.06265062] [-0.12926603 0.08612672 0.04978353] [ 0.18850185 -0.02657647 0.00116912] [ 0.0406334 0.02351194 0.03619363] [ 0.15737384 0.0209675 0.03922156] [-0.19683511 -0.02251431 -0.00605719] [-0.06786281 0.03586963 0.01591198] [-0.1094034 -0.15922759 -0.07949228] [-0.07873166 -0.05635994 0.04426044] [ 0.18861663 0.10450197 -0.11510323]] Final stress: [ 0.12617848 -0.13853096 0.00448744 0.0709731 -0.0321323 -0.05301214] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-0.00339396 -0.01578396 0.01018347] [ 0.02728483 -0.00777718 -0.00962135] [ 0.02301036 0.03145068 -0.01518044] [-0.02386838 -0.00462173 -0.00322496] [-0.0004995 0.02204093 0.01122238] [-0.0175165 -0.00276585 0.01971413] [ 0.00414603 -0.00139981 0.007941 ] [ 0.01514201 -0.00112975 -0.00463205] [-0.03178024 0.00595445 0.01478773] [-0.00019217 -0.01325621 0.01622195] [-0.00225182 0.00380696 0.00543861] [-0.00414259 0.03371969 0.02125724] [-0.0005846 -0.0180203 -0.04474354] [ 0.01188787 -0.02786097 -0.0193599 ] [ 0.00275864 -0.00435695 -0.01000428]] Final stress: [ 0.05998956 -0.06707369 -0.00293082 0.03205911 -0.02855765 -0.05686121] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-0.00049309 -0.0220763 -0.01122123] [-0.01756961 0.00281971 -0.01969221] [-0.02397795 0.00460446 0.0032426 ] [ 0.02302235 -0.03145344 0.01515615] [-0.00336293 0.01570664 -0.01021156] [ 0.02726917 0.00772188 0.00959318] [ 0.00418667 0.00137608 -0.00791859] [-0.03177592 -0.00596055 -0.01478107] [ 0.01511806 0.00112862 0.00462977] [ 0.01187882 0.02786325 0.01935606] [ 0.0027764 0.00442252 0.00998742] [-0.000586 0.01806158 0.04471833] [-0.00408107 -0.03374546 -0.02122438] [-0.00018581 0.01328057 -0.01622161] [-0.0022191 -0.00374954 -0.00541286]] Final stress: [ 0.05998999 -0.06706671 -0.00293699 0.0320576 0.02855706 0.05685836] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.77891837 -0.9727102 0.04610789] [-0.55665512 0.60387523 -1.21111122] [-0.88690642 -0.2378375 0.09718456] [ 0.72026598 0.81886629 0.14625659] [ 0.4889856 -0.73164631 0.40556404] [-1.61076497 -0.11083661 1.089729 ] [-0.27942447 0.41655775 0.34924915] [-1.22851343 0.24968602 -0.74288295] [ 0.92913553 0.17181346 -1.20920566] [ 0.67962024 0.88628992 0.13927883] [-0.48596839 0.49896792 0.76810218] [-0.51776451 -0.96233126 0.09106657] [ 0.49372549 -0.83831278 -1.02479743] [ 0.44106257 0.26810473 0.0250594 ] [ 1.03428354 -0.06048664 1.03039905]] Final stress: [-0.04212136 0.05912936 -0.03689963 -0.02138245 -0.23919039 -0.42595303] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.48898578 0.73164578 -0.40556436] [-1.61076241 0.11083351 -1.08973722] [ 0.72026687 -0.81887078 -0.14625112] [-0.88690154 0.23783407 -0.09718315] [ 0.77890357 0.97271335 -0.04610369] [-0.55665688 -0.60386926 1.21110949] [-0.27942236 -0.41656006 -0.34924885] [ 0.92913233 -0.17181526 1.20920148] [-1.22850991 -0.24968349 0.74288396] [ 0.44106348 -0.26810568 -0.025062 ] [ 1.03428976 0.0604864 -1.03040228] [ 0.4937258 0.83831433 1.02480232] [-0.51776783 0.96233584 -0.09106208] [ 0.67962271 -0.88628996 -0.13927743] [-0.48596937 -0.49896879 -0.76810508]] Final stress: [-0.04212101 0.05912862 -0.0368993 -0.02138207 0.23918983 0.42595177] Minimization converged after 59 steps. Minimization converged after 59 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 1.81726607 0.07334063 -0.10154122] [-0.57401619 -0.60312222 -1.41993777] [-0.21225523 -0.23241158 0.91854559] [-2.29750098 -3.22576781 -1.47546723] [-1.45403979 -0.28818507 -0.51288242] [ 2.20630739 1.37382127 1.84228713] [ 0.41986108 0.53846748 -0.17088851] [ 1.29871235 2.56534031 2.5506757 ] [ 1.46153787 -0.3318829 -0.44155433] [-3.03747528 0.57643502 -0.96018171] [ 0.18919974 0.32500374 -2.11296535] [-0.62091327 0.46085729 -1.41718616] [ 1.4705097 -0.97109068 0.38853312] [-1.00924774 0.96437836 1.30103079] [ 0.34205428 -1.22518383 1.61153237]] Final stress: [-0.06983758 0.10089269 -0.084459 -0.06585755 -0.33536528 -0.67584109] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[-1.45404345 0.28817864 0.51288083] [ 2.20631539 -1.373825 -1.84228676] [-2.2975006 3.22576339 1.47546696] [-0.21225263 0.23241714 -0.91854733] [ 1.81726177 -0.07333558 0.10154178] [-0.57401361 0.6031284 1.41993879] [ 0.41986199 -0.53846925 0.17088565] [ 1.46154078 0.33188624 0.44155879] [ 1.29871662 -2.56534312 -2.55067693] [-1.00925098 -0.96438031 -1.30103173] [ 0.34205531 1.22518277 -1.61153072] [ 1.47050425 0.97108585 -0.38853317] [-0.6209174 -0.46085462 1.41719072] [-3.03747852 -0.57643477 0.96018052] [ 0.18920106 -0.32499977 2.1129626 ]] Final stress: [-0.06983756 0.10089285 -0.08445915 -0.06585763 0.33536554 0.67584142] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-1.74224852e+00 8.41754706e-01 -1.72985324e-01] [ 2.48009263e-01 -1.17741647e+00 6.67077675e-01] [-9.68640582e-01 8.89745838e-02 1.34539345e-03] [-8.87075225e-03 -1.06559920e+00 6.96217271e-01] [-3.02917803e-01 9.69777235e-01 -7.55222983e-01] [ 7.06456013e-01 2.37989350e+00 -3.11186565e-02] [ 6.21872067e-01 -3.70708043e-01 1.15528380e-01] [ 3.52433159e-02 8.55947135e-01 6.07393600e-01] [-3.98939589e-01 -2.26099783e-01 1.00285145e-01] [ 6.87836471e-01 -1.63272199e+00 -4.15517625e-01] [-8.36626357e-02 7.74718796e-01 4.60036368e-02] [-3.45444326e-01 3.35878568e-03 4.91848429e-01] [ 6.64807545e-01 -8.20389254e-01 2.69379984e-02] [-6.67630642e-01 1.00510793e+00 -1.54559944e+00] [ 1.55413017e+00 -1.62659794e+00 1.67806500e-01]] Final stress: [-0.01177692 0.09675323 -0.05595935 -0.02946708 -0.0939964 -0.24715343] Minimization converged after 32 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-3.02917327e-01 -9.69779273e-01 7.55222446e-01] [ 7.06458829e-01 -2.37989302e+00 3.11170671e-02] [-8.87200934e-03 1.06559916e+00 -6.96218127e-01] [-9.68639944e-01 -8.89768034e-02 -1.34515908e-03] [-1.74224973e+00 -8.41756050e-01 1.72986257e-01] [ 2.48008185e-01 1.17741582e+00 -6.67077432e-01] [ 6.21872113e-01 3.70708884e-01 -1.15528905e-01] [-3.98939088e-01 2.26100804e-01 -1.00284648e-01] [ 3.52416848e-02 -8.55945451e-01 -6.07392202e-01] [-6.67628981e-01 -1.00510790e+00 1.54559916e+00] [ 1.55413032e+00 1.62659842e+00 -1.67805653e-01] [ 6.64807014e-01 8.20390281e-01 -2.69365567e-02] [-3.45442771e-01 -3.35886244e-03 -4.91849714e-01] [ 6.87834426e-01 1.63272155e+00 4.15517027e-01] [-8.36627193e-02 -7.74717556e-01 -4.60035624e-02]] Final stress: [-0.01177691 0.09675324 -0.05595939 -0.02946708 0.0939964 0.24715344] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 2.27123999 0.45884221 -1.36521351] [-0.31332137 -0.87507073 1.90619418] [ 0.15541389 -0.3300648 -0.95306929] [ 1.02362207 0.0493442 1.51109707] [-0.08492956 1.04944628 -0.47062986] [-0.2145158 -0.41394417 -0.57943943] [-0.1596708 -0.07855407 -0.50204966] [-0.12570372 -0.09851853 0.23905842] [-0.05180003 0.24303487 -0.08620223] [-0.77777448 0.6049836 -0.32357201] [-0.09829064 1.71126357 -0.30194939] [-0.55771759 -0.49224021 -0.14241591] [-0.35032179 -0.91423587 -0.30324862] [-0.75216174 -0.01871627 0.65472515] [ 0.03593157 -0.89557008 0.71671507]] Final stress: [ 0.29372568 -0.2687451 -0.03757079 0.10866488 -0.12554745 -0.25235417] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.08492063 -1.04944181 0.47063591] [-0.21453219 0.41396732 0.57943094] [ 1.0236253 -0.04933851 -1.51109879] [ 0.15539836 0.33005919 0.95306545] [ 2.27126826 -0.45884722 1.36522611] [-0.31333159 0.87506498 -1.90619517] [-0.15967074 0.07855707 0.50206084] [-0.05179369 -0.24303381 0.08620117] [-0.12570206 0.0985089 -0.23907013] [-0.7521554 0.01871519 -0.65472808] [ 0.03592548 0.89555373 -0.71671327] [-0.35032157 0.9142451 0.30324009] [-0.5577203 0.49224224 0.14242026] [-0.77777665 -0.6049869 0.32357202] [-0.09829258 -1.71126547 0.30195266]] Final stress: [ 0.29372679 -0.26874522 -0.03757188 0.10866518 0.12554743 0.25235456] Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.03254829 -0.01147161 0.02309464] [-0.02400867 0.00368424 0.0116221 ] [-0.03276807 0.02452855 0.02010679] [-0.03470436 0.02415677 -0.02805066] [-0.02777125 0.01923712 0.01562726] [-0.02486802 -0.00438307 0.01005267] [ 0.0044855 -0.02495764 0.01460461] [ 0.04896767 0.00936003 0.02052574] [ 0.02888166 -0.0089945 -0.03524386] [ 0.01846525 -0.00049205 -0.00587062] [ 0.02795354 0.00840336 -0.0008969 ] [ 0.0196437 -0.0174091 -0.01793494] [ 0.0036492 0.03697738 -0.0165722 ] [ 0.03385974 -0.04769591 -0.0089415 ] [-0.0092376 -0.01094358 -0.00212314]] Final stress: [-0.02685027 0.03247727 0.0026633 -0.01455355 -0.01717344 -0.03315796] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.02776932 -0.019238 -0.01562708] [-0.02486988 0.00438481 -0.01005318] [-0.03470587 -0.02415588 0.02805037] [-0.0327688 -0.02453056 -0.02010668] [-0.03254707 0.01147139 -0.02309476] [-0.02401012 -0.00368472 -0.01161995] [ 0.00448763 0.02495833 -0.01460827] [ 0.02887719 0.00899393 0.03524399] [ 0.04896842 -0.00935887 -0.02052575] [ 0.03385913 0.04769471 0.00894159] [-0.00923752 0.0109443 0.00212345] [ 0.00365112 -0.03697498 0.01657569] [ 0.01964325 0.01740693 0.01793455] [ 0.01846846 0.0004931 0.00587051] [ 0.02795336 -0.00840446 0.00089552]] Final stress: [-0.02685002 0.03247737 0.00266302 -0.01455352 0.01717346 0.0331579 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.04384534 0.03179024 0.00569546] [-0.03658405 0.02345968 0.02669192] [ 0.01885118 -0.0278712 -0.00995973] [-0.01002354 -0.02889518 0.02497513] [ 0.01000743 -0.02249699 0.03364534] [ 0.01701841 0.00809419 -0.01325811] [-0.04563239 0.00592564 0.08615993] [ 0.03214759 -0.01958773 -0.05895841] [ 0.02185744 0.05658794 -0.01042759] [-0.0362018 0.00227228 0.02372108] [ 0.01852047 -0.0262964 0.01518941] [-0.03793152 0.01460777 -0.08626038] [ 0.02236799 -0.07964169 -0.04509838] [-0.0857065 0.0542388 -0.020566 ] [ 0.06746394 0.00781265 0.02845035]] Final stress: [ 0.02127906 -0.04449517 -0.00632138 0.01626997 -0.01503672 -0.02693488] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.00998266 0.02249205 -0.03365451] [ 0.01703615 -0.00809139 0.01328265] [-0.01002615 0.02888215 -0.02499336] [ 0.01888082 0.02787831 0.0099631 ] [ 0.04380618 -0.03180949 -0.0056946 ] [-0.03656899 -0.02341467 -0.02667564] [-0.04563963 -0.00591684 -0.08618602] [ 0.02183325 -0.05658061 0.01041225] [ 0.03218128 0.01957444 0.05895085] [-0.08570639 -0.05425981 0.0205767 ] [ 0.06747656 -0.00779858 -0.02845286] [ 0.02235262 0.07962093 0.04509427] [-0.03796628 -0.0145803 0.08626501] [-0.03617201 -0.00226809 -0.02370745] [ 0.01852992 0.02627189 -0.0151804 ]] Final stress: [ 0.02127934 -0.04449484 -0.00632144 0.01626996 0.01503648 0.0269349 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-4.55199875e-03 -1.17856454e-02 1.23872843e-02] [-1.67367447e-02 -6.63247638e-03 -1.26207543e-02] [ 1.62123085e-04 -2.95495473e-02 4.99886408e-03] [ 1.22985587e-02 1.44491106e-02 -8.59231185e-03] [-2.59897560e-02 1.40786969e-02 -1.87770532e-02] [-6.09412319e-03 -1.20854489e-02 -9.25611172e-03] [ 3.77877892e-03 3.12112084e-03 1.06346082e-02] [-1.23457909e-02 -9.49134013e-04 -2.04151616e-03] [-6.34544731e-03 -9.28820195e-03 -7.54567282e-03] [ 2.78588598e-02 2.14253530e-02 -2.12364021e-02] [-1.97788591e-03 4.66889506e-06 -1.13939585e-02] [ 6.55315781e-03 -2.28851625e-02 1.52365547e-02] [ 5.72030293e-03 9.09414108e-05 -9.37758418e-03] [ 1.97063537e-02 1.37406670e-02 2.10175447e-02] [-2.03638811e-03 2.62650577e-02 3.65665088e-02]] Final stress: [-0.04131899 0.04552987 0.00316605 -0.02113499 -0.02429779 -0.05021885] Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[ 0.04967339 -0.0150926 0.04392696] [-0.01713492 0.02308696 0.04021721] [ 0.00556531 -0.00167231 -0.00635833] [ 0.00811822 -0.01114635 0.03164929] [-0.0484264 0.01449293 0.03513671] [-0.01783264 0.01380134 0.00359631] [-0.00069678 0.00338689 -0.01808771] [-0.01490005 -0.01004262 -0.01796065] [-0.00423895 0.00102833 -0.01200419] [ 0.01359475 0.00682809 -0.04683281] [ 0.00832586 0.02219416 -0.034926 ] [ 0.02105519 -0.00343357 0.02660403] [ 0.00311069 -0.01581528 -0.04568837] [-0.00917939 -0.00029892 -0.00900541] [ 0.00296572 -0.02731703 0.00973294]] Final stress: [ 0.00085689 -0.02182731 -0.0069285 0.00441691 -0.03635886 -0.07322085] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[-1.11446908 -0.11218142 -0.30116772] [-0.468451 -1.13854411 -1.95845482] [ 0.50540428 -0.45180063 -0.38319042] [ 0.9778232 -0.27550898 0.40257305] [-0.74945199 -0.01974323 -0.20739695] [-0.11683942 1.78029799 -1.57365647] [ 0.19820259 0.81898649 0.40053526] [ 0.51870785 0.51635519 0.43380375] [ 0.29359144 -0.44963213 -0.03156555] [-0.57559916 -1.21080927 -0.25498033] [ 1.16767365 0.65001077 0.18041675] [-1.21330399 0.18172624 0.48473985] [-0.54951032 1.09019723 0.88766518] [ 1.16124971 0.50940523 0.40196255] [-0.03502776 -1.88875937 1.51871586]] Final stress: [-0.46558278 0.44861958 -0.0058009 -0.2396079 0.17307589 0.3358245 ] Minimization converged after 21 steps. Minimization converged after 21 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 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-2.84039201e-02 -2.36538918e-02 -1.45194173e-02] [-2.23876343e-02 8.09483083e-03 -1.20843984e-02] [-3.28922770e-02 -2.52892613e-02 2.99788692e-02] [-3.52957613e-02 -2.65232507e-02 -2.08130503e-02] [-3.02764257e-02 1.57681969e-02 -1.54691184e-02] [-2.02147870e-02 -2.79530148e-03 -1.01542299e-02] [ 8.06777984e-03 2.24788049e-02 -1.17131899e-03] [ 2.72727006e-02 1.14306396e-02 2.74655517e-02] [ 4.91337303e-02 -2.47750598e-03 -2.53516293e-02] [ 3.05259974e-02 4.70852808e-02 1.51275007e-02] [-1.31633569e-02 6.42910735e-03 4.20959943e-03] [-1.46985822e-03 -4.01956975e-02 1.24675053e-02] [ 2.31323641e-02 1.77060072e-02 4.26332670e-04] [ 1.93099569e-02 -8.98428188e-05 8.72918495e-03] [ 2.66614915e-02 -7.96811595e-03 1.15861880e-03]] Final stress: [ 0.0352034 -0.02927988 0.0024461 0.01593091 -0.01319904 -0.02776858] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-3.02808429e-02 -1.57694835e-02 1.54720249e-02] [-2.02032203e-02 2.81296794e-03 1.01529334e-02] [-3.52992830e-02 2.65173891e-02 2.08182213e-02] [-3.28885545e-02 2.52918590e-02 -2.99800446e-02] [-2.84172864e-02 2.36386461e-02 1.45188152e-02] [-2.23783839e-02 -8.09308583e-03 1.20877969e-02] [ 8.07136280e-03 -2.24719227e-02 1.16627203e-03] [ 4.91288546e-02 2.47498665e-03 2.53458304e-02] [ 2.72817520e-02 -1.14379078e-02 -2.74744852e-02] [ 1.93004787e-02 9.16696492e-05 -8.73105339e-03] [ 2.66675418e-02 7.97278962e-03 -1.15969722e-03] [ 2.31323305e-02 -1.77040144e-02 -4.21553948e-04] [-1.47712110e-03 4.02014726e-02 -1.24688235e-02] [ 3.05239507e-02 -4.70892929e-02 -1.51229787e-02] [-1.31615790e-02 -6.43607345e-03 -4.20325753e-03]] Final stress: [ 0.03520385 -0.0292797 0.00244562 0.01593093 0.01319905 0.02776866] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.00636805 -0.01278622 0.0217745 ] [ 0.02454845 0.02027531 -0.01143674] [ 0.01854558 0.0117067 -0.06809959] [-0.00685563 0.03164186 -0.00387777] [ 0.04331436 -0.06598242 0.0318896 ] [-0.04874772 -0.02712597 -0.03836643] [-0.07641276 0.02776287 0.10259419] [ 0.01295969 -0.03205259 -0.03513522] [ 0.03813405 0.04967142 -0.10425794] [-0.07605058 -0.04032004 0.07146913] [ 0.07724906 -0.05117436 0.07539106] [-0.01042452 0.14500914 -0.0762483 ] [ 0.01928215 -0.03751839 -0.02193576] [-0.04096531 0.01089958 0.02847541] [ 0.01905513 -0.03000688 0.02776387]] Final stress: [-0.04150428 0.01911623 -0.00653278 -0.01547461 -0.02306742 -0.03870917] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.04337436 0.06590346 -0.031869 ] [-0.04875694 0.02714602 0.03837623] [-0.00688343 -0.03164911 0.00388073] [ 0.01852328 -0.0117046 0.06811685] [ 0.00639499 0.01283106 -0.02179087] [ 0.02450478 -0.02021914 0.01141638] [-0.07642316 -0.0277418 -0.10260719] [ 0.03812124 -0.04968294 0.10424306] [ 0.01297644 0.0320222 0.03510902] [-0.04096474 -0.01090695 -0.02847219] [ 0.01904257 0.02995885 -0.02772146] [ 0.01930351 0.03752952 0.0219296 ] [-0.01041335 -0.145003 0.07629195] [-0.07603148 0.04031179 -0.07150493] [ 0.07723194 0.05120463 -0.07539818]] Final stress: [-0.04150195 0.01911607 -0.00653443 -0.01547386 0.02306733 0.03870806] Minimization converged after 24 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[-0.07938989 0.00626655 -0.03869462] [-0.06972546 0.0353257 0.03077503] [-0.0385436 0.03927967 0.00848463] [ 0.01461623 -0.04727703 0.0273846 ] [ 0.01117066 -0.04901425 0.00691821] [-0.02459287 -0.08704553 -0.05056723] [ 0.01495649 -0.01921264 0.01186414] [ 0.01611688 -0.00599677 0.00165533] [ 0.02100195 0.02665707 -0.00023143] [-0.02308687 0.04441143 -0.00276083] [ 0.04117815 0.05442742 0.02979993] [ 0.00348936 0.03359031 -0.0439201 ] [ 0.04895302 -0.00265161 0.04773165] [ 0.05155054 -0.00739358 -0.02528454] [ 0.01230542 -0.02136674 -0.00315476]] Final stress: [ 0.01323045 -0.00846543 0.00261114 0.00295403 0.04090451 0.08013066] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[-0.00286004 0.00427092 0.02867337] [-0.00711717 0.00696405 0.01799033] [ 0.00618908 -0.01565577 0.01430948] [ 0.00642885 -0.01131602 0.02605957] [-0.01735263 0.00582497 0.01443417] [-0.00235741 0.00098663 0.02329965] [-0.00132908 -0.00810467 -0.00225396] [ 0.01291691 0.00774851 -0.00526066] [-0.00511991 0.00373931 -0.00678949] [ 0.02267509 -0.00192059 -0.01595782] [-0.00095357 -0.00029137 -0.02216057] [-0.00186643 -0.01410301 -0.02020929] [-0.00713881 -0.00520318 -0.02378429] [-0.01020879 0.01172821 -0.01793159] [ 0.0080939 0.01533203 -0.01041888]] Final stress: [-0.0561615 0.03415492 -0.00616671 -0.02238132 -0.0254216 -0.05177652] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[-0.01013507 -0.00300974 -0.02323941] [-0.00805469 -0.00597303 0.00746155] [ 0.00708099 0.0174202 -0.0031488 ] [ 0.00225175 0.01211688 -0.02375718] [ 0.00145125 0.00652143 -0.00258761] [-0.0146205 -0.0153582 0.00511003] [-0.00087389 -0.00466785 -0.00136582] [ 0.00786788 0.00324393 0.00611885] [-0.00150799 0.00094844 0.01370682] [-0.0024426 -0.00860771 -0.0081992 ] [ 0.00771762 0.00038121 0.00850554] [ 0.00586457 0.01015862 0.00863593] [ 0.00443294 0.00643531 -0.00776727] [ 0.00304347 -0.01066312 0.01353419] [-0.00207573 -0.00894638 0.00699237]] Final stress: [-0.05610486 0.03398044 -0.00609875 -0.02294162 0.02521184 0.05210711] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[-0.00802693 -0.00319662 -0.00653026] [ 0.01784098 -0.00766466 0.00419772] [-0.05112022 0.02075628 0.05851964] [ 0.00690857 0.01792262 0.02364339] [ 0.0268365 -0.0584467 0.03429539] [ 0.00839093 0.00475909 0.04299606] [-0.02568446 0.01096715 -0.03580082] [ 0.00184929 0.01546647 -0.03754524] [ 0.02862799 -0.02134514 -0.02037199] [ 0.00093284 -0.02702973 -0.00466233] [-0.0006716 -0.01616058 0.03740912] [-0.01322386 -0.00174207 0.01850023] [ 0.00193936 0.02373165 -0.02386444] [ 0.0292403 0.04028826 -0.05699135] [-0.0238397 0.00169398 -0.03379511]] Final stress: [-0.00367716 0.00581981 0.00778213 -0.00256493 0.01251133 0.02413797] Minimization converged after 28 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.00109453 0.01203896 0.0101411 ] [-0.00315466 0.00166241 -0.01917482] [ 0.01729057 -0.00981017 0.00271309] [ 0.00276896 -0.01122755 0.00897358] [-0.01588705 -0.00766117 -0.01322304] [-0.00552126 0.01524127 -0.01794418] [-0.00235941 0.00134962 -0.0039024 ] [-0.01126828 -0.00994611 0.00788098] [ 0.01067973 0.0001267 -0.00584888] [ 0.01534319 0.00025507 -0.00105359] [-0.00402974 0.01054746 -0.00879085] [-0.00223291 -0.02209663 0.00613817] [-0.00920874 -0.0048677 0.0166567 ] [ 0.00182623 0.02526227 -0.00580617] [ 0.00465885 -0.00087442 0.02324031]] Final stress: [-0.01346318 0.01307164 0.00945778 -0.00637481 -0.0251505 -0.05204233] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.01589129 0.00764538 0.01321372] [-0.00550792 -0.01524511 0.01795725] [ 0.00274225 0.01119128 -0.00897408] [ 0.01729476 0.00985193 -0.00272256] [ 0.00107711 -0.01203974 -0.01015125] [-0.00314964 -0.00164093 0.01918517] [-0.00235675 -0.00134679 0.00389178] [ 0.01068943 -0.0001199 0.00586096] [-0.01124567 0.00994135 -0.0078935 ] [ 0.00181209 -0.02526238 0.00581667] [ 0.0046663 0.00087702 -0.02324037] [-0.00919803 0.00485291 -0.01665795] [-0.00222674 0.02211079 -0.00613661] [ 0.01532296 -0.00026892 0.00105725] [-0.00402887 -0.0105469 0.00879352]] Final stress: [-0.01346183 0.01306935 0.00945848 -0.00637378 0.02514961 0.05204075] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.00034789 0.0070979 -0.0078386 ] [-0.04303579 0.00552584 0.0162254 ] [-0.00590097 -0.02831895 -0.02535413] [ 0.03076787 -0.0007117 0.0026834 ] [ 0.01697217 0.00745471 -0.00155347] [-0.01440461 0.00550428 -0.0126402 ] [ 0.0189057 0.01478117 -0.00337907] [-0.00972269 -0.00431828 0.00736558] [ 0.00528989 -0.00152617 -0.00853461] [ 0.01952305 0.00883718 -0.01107854] [-0.01856962 0.00515494 0.02026537] [ 0.0087042 -0.01577342 0.02686555] [-0.00153988 0.01191855 -0.00085653] [-0.02066415 -0.00064302 -0.02780137] [ 0.01402272 -0.01498301 0.02563122]] Final stress: [-0.02416775 0.00537542 -0.01111135 -0.00766594 -0.03125782 -0.06433119] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.0169772 -0.0074535 0.00155847] [-0.01441278 -0.00550461 0.01264893] [ 0.03078762 0.00070021 -0.00267953] [-0.00591167 0.02833134 0.02536039] [-0.00032432 -0.0070675 0.00784097] [-0.04302473 -0.00554541 -0.01623371] [ 0.01891886 -0.01478539 0.00338735] [ 0.00527961 0.00153825 0.0085299 ] [-0.00971942 0.00431493 -0.00737036] [-0.02068886 0.00064968 0.02780137] [ 0.01402031 0.01495778 -0.02562516] [-0.00154095 -0.01191943 0.00084414] [ 0.00868868 0.01577215 -0.02686648] [ 0.01951766 -0.0088404 0.01107642] [-0.01856721 -0.00514811 -0.0202727 ]] Final stress: [-0.02416566 0.00537494 -0.01111281 -0.0076653 0.03125757 0.06433112] Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.00189035 -0.03646963 0.00979752] [ 0.01964426 -0.00356745 0.00211764] [ 0.003106 -0.01398583 -0.01346989] [ 0.01273082 0.0040074 0.01346496] [-0.04587739 0.02960254 0.03247709] [ 0.02246861 0.02697997 0.0038751 ] [-0.00426294 0.02302662 -0.01609899] [ 0.00742565 0.00824403 -0.0044321 ] [ 0.02489931 -0.01758242 -0.01915141] [-0.00453533 0.01474237 0.01591776] [-0.0057954 -0.0255601 0.03214035] [-0.01309202 -0.01585795 0.01550596] [-0.02245227 -0.01171362 -0.01298811] [-0.0121404 -0.00545686 -0.03146066] [ 0.01599074 0.02359092 -0.02769523]] Final stress: [-0.02270376 0.01391881 -0.00155565 -0.00857291 0.01198253 0.02471082] Minimization converged after 29 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.10858642 0.46926534 -0.47959267] [-0.18364066 -0.41536009 -0.41799937] [-0.19093173 -0.03973567 -0.61728891] [ 0.08707136 0.07252314 -0.33948738] [ 0.40979592 -0.26719634 -0.42788835] [-0.11949282 0.31787513 -0.45964922] [-0.12533182 0.22892091 0.27312011] [-0.37318587 -0.16976149 0.23446781] [ 0.46239956 -0.19350745 -0.3023511 ] [-0.12879304 -0.20800936 0.25984084] [-0.21650121 0.24230414 0.25383677] [ 0.22464249 0.1000615 0.40925197] [ 0.0338994 -0.50067933 0.40449678] [-0.41089557 0.5724859 0.68869779] [ 0.63955041 -0.20918634 0.52054493]] Final stress: [-0.03131596 0.00902111 0.00441006 -0.01928558 -0.06594461 -0.1283423 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.40983053 0.2671721 0.42791764] [-0.11946267 -0.31782842 0.45967507] [ 0.0870418 -0.07253551 0.33946921] [-0.19087976 0.03971316 0.61727788] [-0.10861407 -0.46929669 0.47959495] [-0.18364255 0.41539885 0.41799419] [-0.12532941 -0.22886495 -0.27320065] [ 0.46231986 0.19346978 0.30235111] [-0.37312241 0.16977171 -0.23452586] [-0.41091709 -0.57249119 -0.68870999] [ 0.63951953 0.20917133 -0.52049932] [ 0.03390872 0.50068056 -0.40445791] [ 0.22462006 -0.10003367 -0.40923227] [-0.12873112 0.20801232 -0.25981431] [-0.21654142 -0.24233938 -0.25383973]] Final stress: [-0.03131606 0.00902057 0.00441149 -0.01928651 0.06594371 0.12834013] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.11062017 0.07959516 0.18941211] [-0.06609316 -0.23372098 0.13813482] [ 0.02105916 0.00780489 0.14830093] [ 0.00457662 -0.10120161 0.26207992] [-0.13204689 -0.17663275 0.36136393] [ 0.004467 0.20691428 0.38700782] [-0.00882637 -0.06047517 -0.07662475] [ 0.31471286 0.19057077 -0.0327127 ] [-0.20458337 0.18941532 0.05457504] [-0.31687037 -0.27512165 -0.10384499] [ 0.44111198 0.06322051 -0.27457708] [-0.10845776 0.36421976 -0.22294707] [ 0.13644825 -0.07905094 -0.46041474] [-0.13951678 0.04037749 -0.26446329] [-0.05660134 -0.21591508 -0.10528995]] Final stress: [ 0.03916161 -0.05351564 0.00044149 0.02520099 -0.01908008 -0.03408234] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.13206473 0.17663466 -0.36140163] [ 0.00449212 -0.20688168 -0.38702026] [ 0.00468263 0.1011632 -0.26206601] [ 0.02101503 -0.0077744 -0.14827806] [ 0.11062351 -0.0796637 -0.1894457 ] [-0.06606855 0.23372782 -0.13813007] [-0.00883108 0.06045652 0.07665456] [-0.20457253 -0.18942709 -0.05455829] [ 0.31472188 -0.19057779 0.0326893 ] [-0.13953806 -0.04037302 0.26441185] [-0.0566103 0.21595383 0.10531646] [ 0.13646828 0.07905213 0.46041198] [-0.10851572 -0.36420113 0.22295129] [-0.31691373 0.2751068 0.10384624] [ 0.44111126 -0.06319614 0.27461833]] Final stress: [ 0.03916048 -0.05351808 0.00044381 0.02520072 0.01908039 0.03408361] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[ 0.03827344 0.03277881 0.01804987] [-0.01971437 0.03495106 0.01405033] [ 0.00921308 -0.03330926 0.02047778] [ 0.0013729 0.00694344 -0.02912956] [-0.00480747 -0.04168838 -0.02835527] [-0.02613082 0.04274571 -0.00718241] [-0.01363646 0.03453816 -0.01855728] [-0.025287 0.00030591 -0.01292454] [ 0.01705716 -0.02208707 -0.01188224] [ 0.02131777 -0.00463975 -0.01651303] [-0.0134401 -0.01408083 -0.00512373] [ 0.0115593 -0.0115348 -0.02074823] [ 0.00226403 -0.01101778 0.02201649] [ 0.00590018 0.01327418 0.02327315] [-0.00394163 -0.0271794 0.05254866]] Final stress: [-9.45989359e-03 -1.19217496e-03 9.41492558e-05 -1.97514320e-03 -2.67192547e-02 -5.39476571e-02] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-0.00479524 0.04169071 0.02837277] [-0.0261674 -0.04271627 0.00720862] [ 0.00134461 -0.00694612 0.02913289] [ 0.00914155 0.03331688 -0.02044874] [ 0.03829432 -0.03277252 -0.01803885] [-0.01967992 -0.03505009 -0.01410703] [-0.01361279 -0.034481 0.01862157] [ 0.01714012 0.02210582 0.01188291] [-0.02527286 -0.0003894 0.01284325] [ 0.00587919 -0.01321167 -0.02320841] [-0.00393011 0.02714519 -0.05251326] [ 0.00228377 0.01104395 -0.0221586 ] [ 0.01154209 0.01156286 0.02083148] [ 0.02127484 0.00462828 0.0164736 ] [-0.01344215 0.01407337 0.00510781]] Final stress: [-9.45071930e-03 -1.19437567e-03 8.80904227e-05 -1.97275208e-03 2.67179879e-02 5.39469059e-02] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-0.54445057 0.2155668 -0.1265355 ] [-0.06643834 0.4184832 0.22923641] [-0.29231154 -0.33029813 0.39399828] [ 0.41878729 -0.47094324 0.01084303] [ 0.334948 0.16037627 -0.3546339 ] [ 0.12169135 0.41080455 -0.02680689] [-0.10028183 0.2025337 -0.31269175] [-0.20274637 -0.13816868 0.07118354] [ 0.18984846 0.17272781 -0.07018904] [ 0.30535031 -0.36075358 0.0293198 ] [-0.30970339 -0.20491222 -0.13414153] [ 0.00910537 0.10705438 -0.3115355 ] [-0.11943834 0.09953026 0.11755293] [-0.2599772 -0.01923309 0.20991287] [ 0.51561681 -0.26276804 0.27448726]] Final stress: [-0.16176649 0.15849679 -0.00152016 -0.07972582 -0.04802501 -0.0816405 ] Minimization converged after 29 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[ 0.33492384 -0.16023636 0.35461117] [ 0.12170947 -0.41052907 0.02707522] [ 0.41893801 0.4708987 -0.01101068] [-0.29230202 0.33016114 -0.39368206] [-0.54412124 -0.2154493 0.12656699] [-0.06620604 -0.41886791 -0.22944951] [-0.10024204 -0.20234192 0.31269617] [ 0.18970855 -0.17282637 0.06995651] [-0.20287182 0.13808464 -0.07114716] [-0.26011431 0.01918704 -0.20966685] [ 0.51554288 0.26258486 -0.27425888] [-0.11951066 -0.0992492 -0.11801617] [ 0.0088654 -0.10700519 0.311831 ] [ 0.30528993 0.36086099 -0.02945416] [-0.30960996 0.20472796 0.1339484 ]] Final stress: [-0.16182781 0.15860256 -0.00155715 -0.07977425 0.04801586 0.08163047] Minimization converged after 57 steps. Minimization converged after 56 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 7 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 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.02475255 0.00303964 0.01138241] [-0.04060647 0.00445241 -0.00019664] [-0.02655373 0.00753002 0.01471977] [-0.02619704 0.03792119 -0.01480135] [-0.02614228 0.0060881 0.02566298] [-0.0441454 0.00055009 0.02686477] [ 0.00736909 -0.02333603 0.00874411] [ 0.04962181 0.00901919 0.02255087] [ 0.02903147 -0.01054203 -0.03625345] [-0.01616756 -0.02204604 -0.01125482] [ 0.06496076 -0.01779076 -0.00556366] [ 0.021749 0.02306128 -0.01257352] [ 0.00623037 -0.00090065 -0.0174558 ] [ 0.00010201 -0.02835712 -0.01009746] [ 0.02550053 0.01131071 -0.00172821]] Final stress: [-0.01873939 0.01828281 0.0005577 -0.00898954 -0.01160615 -0.02220598] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.02615533 -0.00607373 -0.02566638] [-0.04413814 -0.00055959 -0.02686722] [-0.02618795 -0.03793056 0.0147979 ] [-0.02655941 -0.00751152 -0.01471959] [-0.02475164 -0.00303063 -0.01138366] [-0.04059442 -0.0044701 0.00019612] [ 0.00737556 0.02331896 -0.00873064] [ 0.0290473 0.01055696 0.03626697] [ 0.04960746 -0.0090218 -0.02254063] [ 0.00010808 0.02835217 0.01009472] [ 0.02550491 -0.01129505 0.00172589] [ 0.00620992 0.00088737 0.01744844] [ 0.02174037 -0.02306135 0.01257276] [-0.01617739 0.02205166 0.0112479 ] [ 0.06497067 0.01778723 0.00555743]] Final stress: [-0.01873806 0.01828407 0.00055574 -0.00898956 0.0116062 0.02220598] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.05833538 0.02936478 0.0102687 ] [ 0.0019125 0.0364672 0.05644244] [ 0.0222717 0.0177469 -0.016254 ] [ 0.02909234 -0.03003337 0.0584048 ] [ 0.02866174 -0.01383505 0.01111845] [ 0.06004124 0.01054195 -0.01818657] [-0.04719763 -0.00432183 0.01792556] [ 0.01052927 -0.02301603 -0.02778396] [-0.0004285 0.0296763 0.00173614] [-0.03694327 -0.00672696 0.00423268] [-0.00672885 0.00367273 0.01500564] [-0.04644268 -0.00402354 -0.07495117] [-0.0185103 -0.04210065 0.01921496] [-0.05127433 0.02127315 -0.05363001] [-0.0033186 -0.02468559 -0.00354365]] Final stress: [ 0.01247462 -0.02783251 -0.00595112 0.00944502 -0.00839694 -0.01695711] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.02866374 0.01382791 -0.01111638] [ 0.06003367 -0.01055267 0.01818464] [ 0.0290912 0.03002992 -0.05840514] [ 0.02227086 -0.01774572 0.01625412] [ 0.05833742 -0.02936094 -0.01026643] [ 0.0019124 -0.03646692 -0.05644187] [-0.04719179 0.00432802 -0.01792644] [-0.00042484 -0.02967975 -0.00173317] [ 0.01052582 0.02301414 0.02778009] [-0.05127523 -0.02127206 0.05363387] [-0.00331798 0.02468317 0.00354326] [-0.01851093 0.04210533 -0.01922118] [-0.04644171 0.00402459 0.0749548 ] [-0.036943 0.00673583 -0.00423244] [-0.00672963 -0.00367084 -0.01500774]] Final stress: [ 0.01247454 -0.02783218 -0.00595138 0.00944503 0.00839694 0.01695708] Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 22 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. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.02466456 -0.00300779 -0.027262 ] [-0.04496384 0.00738181 -0.02049338] [-0.02534041 -0.03896264 0.01925149] [-0.03156907 -0.01469932 -0.01107151] [-0.02008864 -0.00354291 -0.01256638] [-0.04700219 -0.00952756 -0.00259703] [ 0.008974 0.02183479 -0.00422637] [ 0.02965501 0.01256157 0.03290866] [ 0.04884061 -0.00186389 -0.0214884 ] [-0.0017673 0.03262887 0.01235139] [ 0.02248426 -0.01377021 -0.00046424] [ 0.00604084 0.00526184 0.01061323] [ 0.03118545 -0.02667815 0.01005352] [-0.0184368 0.01704778 0.01047411] [ 0.06665266 0.01533581 0.00451691]] Final stress: [ 0.02090607 -0.02158256 0.0006956 0.01048666 -0.00774204 -0.01693436] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-0.02009114 0.00353941 0.01256656] [-0.04699661 0.00953344 0.0025958 ] [-0.0315718 0.01469345 0.01107105] [-0.02533571 0.0389642 -0.01925072] [-0.0246746 0.00299645 0.02726556] [-0.04495976 -0.00737689 0.02049665] [ 0.00897406 -0.0218283 0.00421924] [ 0.04883755 0.00186529 0.02148636] [ 0.02966284 -0.01256495 -0.03291369] [-0.01844195 -0.01704803 -0.01047422] [ 0.06665761 -0.01533216 -0.00451928] [ 0.03118394 0.02667693 -0.01005372] [ 0.0060354 -0.00525608 -0.01060913] [-0.00176549 -0.03262921 -0.01234864] [ 0.02248564 0.01376645 0.00046817]] Final stress: [ 0.02090615 -0.02158247 0.00069542 0.01048667 0.00774209 0.01693441] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.01848774 0.0038782 -0.00501397] [ 0.0598294 0.00950902 0.00984456] [ 0.03608905 0.02384789 -0.05806157] [ 0.01028731 -0.01807657 0.01685879] [ 0.05319718 -0.04502767 0.00022554] [ 0.00912757 -0.03757355 -0.06041001] [-0.0518304 0.00379347 0.02528908] [-0.00387424 -0.01650437 -0.01148442] [ 0.02388998 0.02091394 -0.01301947] [-0.03617951 -0.00174821 0.07067884] [-0.00319006 0.01243857 0.02241452] [-0.03285186 0.06341282 -0.04281245] [-0.02359487 -0.01087958 0.06573745] [-0.03789874 0.01843814 -0.00259555] [-0.02148855 -0.02642208 -0.01765133]] Final stress: [-0.02629906 0.01131369 -0.00625807 -0.0098551 -0.01128867 -0.02174386] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.05317712 0.04505996 -0.00022163] [ 0.00913002 0.03758275 0.06040724] [ 0.01028435 0.01808987 -0.01685728] [ 0.03609138 -0.02385921 0.05804787] [ 0.01848515 -0.00388974 0.00500727] [ 0.05984389 -0.00952784 -0.00982592] [-0.05181791 -0.00380848 -0.02529219] [ 0.02387299 -0.02091778 0.01302423] [-0.00386834 0.01652499 0.01148706] [-0.03790407 -0.01843792 0.00259157] [-0.02149833 0.02644953 0.01763723] [-0.02359252 0.01087764 -0.06572694] [-0.03285062 -0.0634237 0.04280137] [-0.03616318 0.0017436 -0.07066703] [-0.00318995 -0.01246367 -0.02241286]] Final stress: [-0.0262986 0.01131365 -0.00625816 -0.0098551 0.01128859 0.0217436 ] Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.00154656 0.04644937 0.01536791] [ 0.01854762 -0.01572113 -0.01678566] [ 0.06843356 0.0059005 -0.033749 ] [-0.0361186 -0.01569233 0.03548894] [-0.02317925 0.02817608 -0.03762685] [-0.03196269 -0.01976534 -0.0283206 ] [ 0.01024292 -0.00265785 0.01349103] [ 0.02154531 0.0072169 0.04162013] [-0.05297794 0.038566 0.0353902 ] [ 0.06409331 -0.00552244 -0.02387043] [-0.00489209 0.00326721 -0.00249376] [-0.01056658 -0.0347433 0.0128445 ] [ 0.00077387 -0.02888481 -0.01430135] [-0.03808953 0.00734514 -0.04319624] [ 0.01569664 -0.013934 0.04614118]] Final stress: [-0.012968 0.00943013 0.00537693 -0.00509276 -0.0148396 -0.0303641 ] Minimization converged after 32 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.02215709 0.02679376 -0.01181885] [-0.0157117 0.01338607 0.00122074] [ 0.00069529 -0.02433589 -0.00871957] [-0.00890361 0.0077746 0.01026566] [ 0.01299241 -0.01319026 0.00667544] [ 0.00017705 -0.007654 -0.01119857] [-0.02394097 0.00391336 0.02779573] [ 0.00386315 -0.01287952 0.03172457] [ 0.00794873 0.01879485 -0.04686528] [-0.02495418 -0.01258779 -0.02207132] [ 0.00084697 -0.03277728 0.03826913] [ 0.01570825 0.02154612 0.00165985] [ 0.02141576 -0.05531449 -0.01734055] [-0.0530896 0.03028823 0.02094856] [ 0.04079536 0.03624224 -0.02054553]] Final stress: [-0.02432293 0.01358734 -0.0011518 -0.01073559 -0.0223958 -0.04470019] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.01299497 0.01316797 -0.00667313] [ 0.00017861 0.00765623 0.01120494] [-0.00889553 -0.00777542 -0.01027199] [ 0.00069402 0.02432719 0.00872452] [ 0.02215365 -0.02680027 0.01181955] [-0.01570936 -0.01336599 -0.00121971] [-0.0239397 -0.00391417 -0.02780789] [ 0.00793263 -0.01880148 0.04686888] [ 0.00387827 0.01288586 -0.03173697] [-0.05309386 -0.03029424 -0.02095151] [ 0.04078658 -0.03623547 0.02056022] [ 0.02142088 0.05531405 0.01734358] [ 0.01569648 -0.021539 -0.00165439] [-0.02493463 0.01259115 0.02206768] [ 0.00083699 0.03278358 -0.0382738 ]] Final stress: [-0.02432302 0.01358717 -0.00115138 -0.01073574 0.02239572 0.04470001] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.00884462 -0.01037539 0.00902153] [-0.02652242 -0.00050497 -0.01935127] [-0.00607851 -0.01915716 0.01395985] [ 0.0026981 0.02724187 0.00163985] [ 0.0262371 -0.02335555 0.00553532] [-0.024448 -0.00327905 0.00693618] [-0.01505746 0.01005199 0.01595979] [ 0.02540142 -0.00715708 -0.04707508] [ 0.01790753 0.02195495 0.01684768] [-0.06572227 -0.00368715 0.03269824] [ 0.05417874 -0.03556255 -0.0045745 ] [ 0.00170667 0.05651055 -0.0225157 ] [ 0.01828376 -0.02066701 -0.00445634] [-0.03341933 -0.00781295 -0.03574656] [ 0.01599004 0.0157995 0.03112099]] Final stress: [ 0.0156244 -0.02704711 -0.00064233 0.01187109 -0.01785496 -0.0358393 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 0.02623357 0.02335888 -0.00553727] [-0.02444816 0.0032774 -0.00693819] [ 0.00269966 -0.02723624 -0.0016422 ] [-0.00608129 0.01915373 -0.01395824] [ 0.00884767 0.0103767 -0.00902017] [-0.02651862 0.00050133 0.01935134] [-0.01505453 -0.01005691 -0.01595393] [ 0.01790754 -0.02195497 -0.01684683] [ 0.02539364 0.00715743 0.04707763] [-0.03341728 0.00781027 0.03574675] [ 0.01598937 -0.01579497 -0.03112303] [ 0.01828269 0.02066946 0.00445861] [ 0.00170786 -0.056515 0.02251272] [-0.06572306 0.00369031 -0.03269776] [ 0.05418094 0.03556256 0.00457057]] Final stress: [ 0.01562468 -0.02704679 -0.00064284 0.01187103 0.01785493 0.03583917] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.00961744 0.0183858 0.01955667] [ 0.00510566 -0.00711124 -0.03496893] [-0.02366271 -0.0062678 0.03483595] [-0.00821964 -0.02081208 -0.01954516] [ 0.00035276 -0.0299844 0.003825 ] [ 0.03217406 0.04253409 0.06039048] [ 0.0069607 0.00026948 -0.00078456] [-0.0152855 0.00947094 -0.01378899] [ 0.01204037 -0.02340027 -0.02052336] [-0.00922593 -0.0104368 0.03455339] [-0.03018177 -0.000847 0.01532786] [ 0.01630795 -0.0142037 -0.02305606] [ 0.0127417 -0.01172388 -0.0055251 ] [-0.00739954 0.03345616 -0.02156938] [-0.00132553 0.0206707 -0.02872781]] Final stress: [-0.0096765 -0.00024374 -0.00074425 -0.00183059 -0.01560423 -0.03140875] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[ 0.0410138 0.10478665 -0.0647938 ] [-0.1292572 0.0823337 0.29355053] [ 0.00802494 -0.15815992 0.13417691] [ 0.26643481 -0.05653825 -0.22747076] [-0.07896627 -0.15332934 -0.13372482] [-0.0310073 0.16737354 0.07180628] [-0.08668685 0.11986213 -0.21227458] [-0.19099696 -0.0921253 0.04119689] [ 0.1211414 -0.00049944 -0.10382322] [ 0.15023707 -0.01777978 -0.05973799] [ 0.0230334 0.02009171 -0.1820302 ] [-0.07344638 -0.08152256 -0.36336393] [-0.09780373 0.01620552 0.16343482] [ 0.0535232 0.2011787 0.27012779] [ 0.02475607 -0.15187736 0.37292607]] Final stress: [-0.07766223 0.06503172 0.00415016 -0.03120261 0.01365539 0.03339924] Minimization converged after 23 steps. Minimization converged after 34 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[-0.07926922 0.15326842 0.13364972] [-0.03088746 -0.16774374 -0.07183625] [ 0.26676806 0.05597286 0.22772473] [ 0.00808031 0.15911827 -0.13439116] [ 0.04077557 -0.10405638 0.06467477] [-0.12890684 -0.08192137 -0.29319691] [-0.08666444 -0.1200281 0.21213381] [ 0.12142392 0.00058227 0.10412796] [-0.19035397 0.09181942 -0.04150498] [ 0.05304494 -0.20123839 -0.27025383] [ 0.02486572 0.15152142 -0.37294274] [-0.09803654 -0.0168123 -0.16334331] [-0.07408809 0.08187829 0.36345318] [ 0.15012375 0.01767777 0.05972866] [ 0.0231243 -0.02003844 0.18197634]] Final stress: [-0.0776669 0.0650267 0.00415994 -0.03119553 -0.01365532 -0.03340694] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.1177534 0.12785022 0.21326088] [ 0.29751335 0.33816181 -0.2118293 ] [ 0.18006965 -0.54218888 0.88015159] [ 0.05974929 -0.88772422 0.17197664] [ 0.0417429 0.35591857 -0.08880653] [-0.50726968 0.3712551 -0.90558419] [-0.23161074 0.3272206 -0.34609004] [-0.16476687 -0.22843248 0.2588257 ] [ 0.2293675 0.37616116 -0.20574626] [ 0.59793647 -0.30151123 -0.62615912] [-0.27791259 -0.09558332 -0.52684571] [ 0.32277613 0.13237686 -0.05613328] [-0.24968662 0.10394177 0.83454658] [-0.68236005 0.11587643 -0.04449058] [ 0.50220466 -0.19332239 0.65292361]] Final stress: [-0.39181809 0.37495558 0.00803063 -0.1879071 0.00596181 -0.00064786] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.04212494 -0.35631036 0.08885747] [-0.50674396 -0.3702264 0.90541637] [ 0.05892382 0.88828695 -0.17210052] [ 0.18061341 0.54179381 -0.88041171] [-0.11796704 -0.12886103 -0.21347374] [ 0.29692088 -0.33811749 0.21164191] [-0.2314724 -0.32730128 0.34624475] [ 0.22944235 -0.37612091 0.20574802] [-0.1654724 0.22854982 -0.25852566] [-0.68167745 -0.11632984 0.04432391] [ 0.50241785 0.19404906 -0.65305232] [-0.25021568 -0.10373023 -0.83422222] [ 0.32327523 -0.13275225 0.05592643] [ 0.59765639 0.30134931 0.62641814] [-0.27782596 0.09572085 0.52720917]] Final stress: [-0.39182881 0.37504182 0.00797236 -0.1879349 -0.00597326 0.00063029] Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 0.00791764 0.05129965 0.00552225] [-0.03812864 -0.06894053 -0.00726897] [ 0.01215087 0.1112323 0.00370695] [-0.01283829 -0.08409154 0.03203309] [ 0.01853201 0.01120231 0.0218065 ] [-0.08375147 0.01961516 -0.00075957] [-0.02008615 -0.00596597 -0.00310498] [-0.02962699 -0.01834658 -0.02435582] [-0.0995001 0.06639876 0.06568364] [ 0.10459915 -0.08752137 -0.06357759] [ 0.02505974 0.01596711 -0.03927033] [-0.01053691 0.05349948 0.0152862 ] [ 0.03812422 -0.05370852 -0.02642407] [ 0.09083753 0.0620992 0.00174491] [-0.00275263 -0.07273948 0.01897779]] Final stress: [-0.01174535 0.011801 -0.00240787 -0.00569293 -0.00708457 -0.01522697] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.04862031 0.02104913 -0.00728722] [ 0.01649025 0.02967715 0.030133 ] [ 0.0205393 -0.01100639 -0.01264998] [ 0.08637612 -0.00723224 0.04453967] [-0.01514317 -0.01236331 0.01146063] [ 0.0438362 0.04180814 0.02096971] [-0.03886478 0.02983705 -0.0567137 ] [-0.00566803 -0.02711117 0.0011551 ] [ 0.0338369 -0.01054677 -0.01741667] [-0.05591896 -0.02584927 -0.00019798] [ 0.01291064 -0.01076899 0.01491314] [-0.04124459 0.01691741 -0.01891456] [-0.07162338 -0.03842042 0.03789731] [-0.04508266 0.01976251 -0.03282149] [ 0.01093585 -0.01575284 -0.01506695]] Final stress: [-0.01302944 0.00975808 -0.00070059 -0.00581164 0.00827862 0.01522631] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 0.0371694 0.00085484 0.00651544] [ 0.00477608 0.01018904 0.02139305] [ 0.0067113 -0.00496176 -0.00209119] [ 0.00428051 -0.00162107 0.01255597] [ 0.01404596 0.02028719 -0.00555267] [ 0.04848836 0.00597302 0.00067136] [-0.04843838 -0.02679587 0.00225975] [-0.01694497 -0.0537679 -0.01647797] [-0.0092672 0.05101607 0.02679912] [ 0.00608013 -0.00903678 -0.02278581] [ 0.01074277 0.00649982 -0.01608357] [-0.01365075 -0.01526721 0.00930031] [-0.01215879 -0.02322746 -0.00228692] [-0.0363467 0.03959162 0.00122091] [ 0.00451228 0.00026646 -0.01543779]] Final stress: [ 0.00653654 -0.01732032 -0.00577204 0.00567776 -0.00384451 -0.0090549 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 0.01317267 -0.01653291 0.00732989] [ 0.04896748 -0.01722945 -0.00011257] [ 0.02066025 0.00934008 -0.01866337] [ 0.00591901 -0.001322 0.00218431] [ 0.04555242 0.00345621 -0.0094489 ] [ 0.00808292 -0.0217962 -0.02097058] [-0.04840069 0.01125455 0.01677875] [ 0.00488959 -0.03699478 -0.0144296 ] [-0.02014936 0.05324966 0.01277417] [-0.03296096 -0.03349813 0.00366006] [-0.00266325 0.0096608 0.01347155] [-0.02843799 0.01693448 -0.01428251] [-0.021229 0.015873 -0.01178478] [-0.00131713 0.0085927 0.02164678] [ 0.00791404 -0.000988 0.01184679]] Final stress: [ 0.00677564 -0.01735868 -0.00585711 0.00574347 0.0036366 0.00916878] Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 26 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.06885711 0.02096294 0.01982167] [ 0.01040538 0.01980659 0.03446626] [ 0.03647492 -0.00172813 -0.0081336 ] [ 0.04375991 -0.00996362 0.04624847] [ 0.01678156 -0.00498337 0.02305924] [ 0.05332139 0.0362348 0.00100825] [-0.04355913 -0.00373007 0.01600833] [-0.01417269 -0.02954414 -0.04561577] [-0.01676509 0.02528744 0.00751686] [-0.03591611 -0.02781586 -0.01025162] [-0.00703694 -0.00672694 -0.00909908] [-0.03703453 0.00581023 -0.03377455] [-0.0294853 -0.04783433 -0.01721694] [-0.04114646 0.03033631 -0.02101886] [-0.00448402 -0.00611185 -0.00301865]] Final stress: [ 0.01220266 -0.01507695 -0.00082839 0.00675412 -0.00511709 -0.00990064] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.01677961 0.00500759 -0.02307897] [ 0.05331069 -0.03620503 -0.00095728] [ 0.04375539 0.0099868 -0.04624377] [ 0.03648474 0.00173924 0.00813937] [ 0.06888627 -0.02088862 -0.01983513] [ 0.01038975 -0.01978682 -0.03448539] [-0.04355623 0.00368725 -0.01599948] [-0.01679511 -0.02530845 -0.00754069] [-0.01416513 0.02952405 0.04562482] [-0.04113085 -0.03036676 0.02102005] [-0.00449809 0.00608129 0.00302146] [-0.02949028 0.04781707 0.01723518] [-0.03705815 -0.00581271 0.03379059] [-0.03588432 0.02780221 0.01022783] [-0.00702829 0.00672289 0.00908139]] Final stress: [ 0.012203 -0.01507394 -0.0008303 0.00675369 0.00511727 0.00989967] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 0.0005906 -0.02158714 -0.01312836] [ 0.04028978 -0.00827751 0.00655342] [ 0.01877304 0.00770634 -0.00806989] [ 0.00550145 0.01110942 0.00416799] [ 0.04704754 -0.0031666 -0.01341058] [ 0.025309 -0.02268011 -0.02007525] [-0.05315383 -0.0119299 -0.01370903] [ 0.00439697 -0.02802239 -0.00324834] [ 0.00409071 0.03977663 0.03305993] [-0.00447839 -0.01397514 -0.00055123] [ 0.00406581 0.00058583 -0.00993254] [-0.03551976 0.03996184 0.01870268] [-0.01720803 -0.00681366 0.02707042] [-0.00944325 0.02915297 -0.00652212] [-0.03026163 -0.0118406 -0.00090709]] Final stress: [-0.01664138 0.0064239 -0.00614442 -0.00543883 -0.00576128 -0.01351791] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[ 0.04704671 0.00316823 0.0134265 ] [ 0.02531862 0.02269282 0.02007473] [ 0.00549125 -0.01110591 -0.00416842] [ 0.0187565 -0.00770221 0.00806 ] [ 0.00059914 0.02161919 0.01310463] [ 0.04028266 0.00829643 -0.00653252] [-0.05314253 0.01191019 0.01371586] [ 0.00407718 -0.0397779 -0.03305994] [ 0.00441088 0.02801818 0.00323698] [-0.00944407 -0.02916405 0.00651316] [-0.03028263 0.0118499 0.00092118] [-0.01720613 0.00680686 -0.02706959] [-0.03551715 -0.03996892 -0.01868793] [-0.00445545 0.01396243 0.00054139] [ 0.00406502 -0.00060524 0.00992398]] Final stress: [-0.01663788 0.00642316 -0.0061462 -0.00543809 0.00576084 0.01351642] Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 35 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 34 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 2.12529482e-02 2.69032997e-03 1.52499254e-02] [-1.55421034e-02 3.15057010e-02 2.27246613e-02] [ 9.84163484e-03 -1.82433908e-02 6.29505499e-04] [-1.71786897e-03 -1.58799303e-02 2.11892771e-02] [-2.85646577e-02 -3.53998226e-03 2.38651798e-02] [ 1.78641176e-02 -1.23494168e-02 6.14937828e-03] [-2.74002444e-02 3.30096307e-04 4.25554216e-03] [ 1.43228543e-02 -2.02412317e-02 9.31615092e-03] [ 5.60220565e-04 3.43703321e-02 -1.72541759e-02] [ 8.30508965e-03 -6.54191312e-03 -1.70768861e-02] [ 1.38936512e-02 -1.30619574e-02 -6.61736839e-04] [-1.72904510e-02 9.45185025e-03 -2.02405405e-02] [-6.74661494e-03 -3.20390444e-02 -1.61564796e-02] [-1.23840227e-02 2.56278528e-02 -9.64033473e-05] [ 2.36054469e-02 1.79207044e-02 -3.18933982e-02]] Final stress: [-0.01506549 0.00812315 -0.00331621 -0.00625131 -0.0146878 -0.02934757] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-0.02858776 0.0034531 -0.02387929] [ 0.01784101 0.01233795 -0.00615175] [-0.00167513 0.01587915 -0.02120058] [ 0.00982103 0.01821899 -0.00058982] [ 0.02123628 -0.0027151 -0.0152553 ] [-0.0155523 -0.03140211 -0.02271817] [-0.0273874 -0.00035677 -0.00426172] [ 0.000531 -0.03438149 0.01725745] [ 0.01438867 0.02025385 -0.00935707] [-0.01238793 -0.02566037 0.00010208] [ 0.02359594 -0.01789202 0.03192729] [-0.00672431 0.03203509 0.01614651] [-0.01734111 -0.00942927 0.02026662] [ 0.00835904 0.00655227 0.01704869] [ 0.01388297 0.01310672 0.00066506]] Final stress: [-0.01506737 0.00812206 -0.00331363 -0.00625114 0.01468805 0.02934857] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-0.01918299 -0.01712071 -0.01484441] [ 0.01613141 0.00209827 -0.02146104] [ 0.01635936 0.01089328 -0.0136022 ] [ 0.00128343 0.02804817 -0.02046536] [ 0.01634259 0.01093665 -0.00812223] [-0.03388936 -0.01402055 -0.01402716] [-0.02298565 -0.00540942 0.02073542] [-0.00421297 -0.03658264 -0.03339981] [ 0.02174716 0.02679451 0.01435128] [-0.00626216 -0.01195467 0.02744017] [ 0.04147683 -0.02275405 -0.00211277] [-0.00752676 0.02907909 0.02289021] [-0.02226466 -0.00112883 0.00665049] [-0.01399948 -0.00091913 0.02362226] [ 0.01698326 0.00204003 0.01234514]] Final stress: [ 0.01009126 -0.01768593 -0.00281214 0.00742727 -0.01076173 -0.02138055] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.01633451 -0.01092806 0.00810731] [-0.03388679 0.01402017 0.01401492] [ 0.00132837 -0.02806123 0.02047379] [ 0.01636716 -0.01087801 0.0136272 ] [-0.01918595 0.01709419 0.01483315] [ 0.01613545 -0.00208454 0.02146057] [-0.02300261 0.00539884 -0.02072447] [ 0.02175124 -0.02679461 -0.01434418] [-0.0042091 0.03659495 0.03339446] [-0.01400656 0.00092314 -0.02362992] [ 0.01698656 -0.00203971 -0.01233376] [-0.02225288 0.00113192 -0.00666548] [-0.00753834 -0.02908507 -0.02289239] [-0.00629104 0.01194042 -0.02743628] [ 0.04146999 0.02276759 0.00211509]] Final stress: [ 0.010089 -0.01768965 -0.00280785 0.00742733 0.01076244 0.02138289] Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 39 steps. Minimization converged after 21 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 0.0167289 0.02541834 0.00020045] [ 0.01702154 0.00436191 -0.02059221] [ 0.04058946 -0.00741133 0.00934249] [-0.02787994 -0.00883974 -0.0096828 ] [-0.01154468 0.01737719 -0.00293055] [-0.02371111 -0.0119184 -0.03380688] [-0.00052598 -0.0039173 0.00952314] [ 0.0012011 -0.0021508 0.02074337] [-0.01555304 0.01764264 0.01331927] [ 0.03417232 0.00239567 -0.00918691] [-0.00810273 -0.00669292 -0.00763628] [ 0.00480599 -0.02511173 0.00201576] [ 0.00103602 -0.01689945 0.0195181 ] [-0.03324929 0.01220097 -0.01165356] [ 0.00501143 0.00354495 0.02082658]] Final stress: [-0.01786064 0.00906786 -0.00159147 -0.00633367 -0.01993661 -0.04081153] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-0.01375226 -0.00399098 0.00392548] [-0.01863268 -0.00622767 0.03507745] [-0.00891845 0.00795214 0.00644428] [ 0.01728958 0.01474005 -0.00724408] [ 0.01951652 -0.00823499 -0.0050975 ] [ 0.00399356 -0.01221891 0.01362616] [-0.00031736 -0.00433464 0.00143727] [ 0.01220455 -0.00327727 0.00902239] [-0.01538614 0.01421391 -0.00936648] [-0.01636374 -0.01584038 -0.00473267] [ 0.00413278 0.00107664 -0.02492658] [-0.00447144 0.00572346 -0.02460657] [ 0.0102553 0.01910525 -0.00956402] [ 0.01418234 -0.00737844 -0.00160321] [-0.00373256 -0.00130818 0.01760806]] Final stress: [-0.01750347 0.00880565 -0.00162778 -0.00618946 0.01981944 0.04080474] Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-2.68028373e-02 1.77731601e-02 -1.62808926e-02] [-3.09275102e-02 -2.07312262e-02 1.15373249e-02] [-2.04675467e-02 -2.89142468e-03 -3.77600751e-03] [-4.99701254e-02 -2.05172195e-03 -6.96308423e-03] [ 5.75320072e-05 1.72167248e-02 -2.07437441e-02] [ 2.55843422e-02 -4.22985199e-02 -4.49106320e-03] [-2.68568703e-02 -5.41879310e-02 9.84896480e-03] [ 1.97766892e-02 -3.23511093e-02 3.52767362e-02] [-9.30186764e-03 5.93201231e-02 4.04472820e-02] [ 4.23409259e-02 1.48398919e-02 -1.92541607e-02] [ 2.83202758e-02 3.98440555e-02 -6.71791053e-03] [ 1.47607500e-02 -2.60913442e-02 6.56468690e-04] [ 2.88210531e-02 -2.41403015e-02 2.08776945e-02] [-3.37156143e-02 4.20324393e-02 -1.51103423e-02] [ 3.83808038e-02 1.37171842e-02 -2.53072658e-02]] Final stress: [ 0.0024262 -0.01151018 -0.00488664 0.00287488 -0.00109207 -0.00439344] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-0.01771088 -0.00657491 -0.03088092] [-0.00292613 -0.00947807 -0.00658962] [-0.02726384 0.00013952 0.00860649] [ 0.01985566 0.04016588 -0.01160307] [ 0.01561532 -0.00467853 -0.01405036] [-0.00710544 0.00200695 -0.0020253 ] [-0.01070425 -0.01134262 -0.06725489] [ 0.01237508 -0.02991766 0.01613792] [ 0.03560775 -0.00539247 0.03942306] [-0.05455869 -0.02594667 -0.00787249] [ 0.03718639 0.00183736 -0.0244821 ] [ 0.01640502 0.01109935 0.06115543] [-0.02930581 0.01593275 0.04956419] [-0.00188195 -0.00931109 -0.00621961] [ 0.01441175 0.03146021 -0.00390872]] Final stress: [ 0.00050058 -0.01268582 -0.00299792 0.00354397 0.00459179 0.00552663] Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 0.01943509 0.04322695 0.01919857] [-0.10000746 -0.04879134 0.01239946] [-0.04889379 0.13501859 -0.00910749] [-0.05756071 -0.08852527 0.02610377] [ 0.01785351 0.04521328 0.03482971] [-0.12772303 0.00279896 -0.02694043] [ 0.00064902 -0.01828495 0.01455491] [ 0.00066146 -0.00014254 -0.00021042] [-0.03578144 0.02288439 0.00737253] [ 0.08214626 -0.04402375 0.00429618] [ 0.03473406 -0.02008417 -0.01557852] [ 0.05170993 0.0562136 -0.03759575] [ 0.0759066 -0.0572663 0.02932902] [ 0.09240946 0.01698904 -0.02921679] [-0.00553897 -0.04522648 -0.02943475]] Final stress: [-0.01268991 0.00169292 -0.00354646 -0.00391668 -0.00430838 -0.00900586] Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 24 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 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[ 0.02238668 -0.02702567 0.02741081] [-0.02041351 0.04637347 0.03407998] [ 0.00211427 -0.0164446 0.00853848] [ 0.00245531 -0.02103705 0.01407127] [-0.04381207 0.0149586 0.02699343] [ 0.02403819 -0.01380765 0.01653631] [-0.03788097 -0.00288703 -0.02216276] [ 0.02184048 -0.03727733 -0.02401107] [ 0.01804645 0.04355895 0.02389062] [ 0.02255147 0.0119615 0.00102369] [ 0.02736611 0.00235932 -0.03983507] [-0.03256952 0.01193812 -0.01692094] [-0.02267526 -0.02434438 -0.00423856] [ 0.00354819 0.01605085 -0.02762537] [ 0.01300416 -0.0043771 -0.01775081]] Final stress: [-0.00845005 0.0043476 -0.0050562 -0.00240048 -0.00930386 -0.01932663] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 24 steps. Final forces: [[-0.04381831 -0.01499086 -0.02700995] [ 0.02401459 0.01378648 -0.01653705] [ 0.00249001 0.02102958 -0.01406866] [ 0.00210627 0.01644842 -0.00851186] [ 0.02239286 0.02701705 -0.02741051] [-0.02040308 -0.04634836 -0.0340856 ] [-0.03788432 0.00287602 0.02217123] [ 0.01804754 -0.04356096 -0.02389408] [ 0.02185413 0.03727601 0.02400507] [ 0.00353504 -0.01605372 0.02763895] [ 0.01300983 0.00437444 0.01776119] [-0.02266787 0.02434581 0.00422372] [-0.03259399 -0.01193134 0.01692438] [ 0.02255387 -0.01194761 -0.00103337] [ 0.02736342 -0.00232096 0.03982656]] Final stress: [-0.0084519 0.00434693 -0.00505442 -0.00240052 0.00930442 0.01932813] Minimization converged after 65 steps. Minimization converged after 65 steps. Minimization converged after 33 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[-0.02474579 -0.02537242 0.01814964] [ 0.03907674 -0.01755033 0.04782493] [ 0.00435365 0.01352359 0.02582377] [ 0.01417898 0.04402034 0.03101097] [ 0.00725204 -0.01565564 0.04315172] [-0.03394989 0.00767053 0.01211632] [ 0.01440802 0.02888646 -0.02845726] [-0.02932351 -0.00589207 -0.04954455] [-0.00539165 -0.00666397 -0.02007335] [ 0.00090085 0.00072251 -0.03176244] [-0.00886134 -0.00054353 -0.01115867] [ 0.01729204 -0.00698806 -0.00970515] [ 0.00602444 0.00910968 -0.02607468] [-0.00028082 0.01102321 -0.00456202] [-0.00093376 -0.0362903 0.00326076]] Final stress: [-0.01811536 0.00932068 -0.00155567 -0.00754503 0.01374653 0.0284948 ] Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[-1.15169929e-04 -7.08619118e-02 -1.48735594e-02] [-1.97778066e-01 1.74889703e-02 2.55822097e-02] [-9.93692773e-02 1.44381097e-01 -6.14326276e-02] [ 6.58365192e-03 -1.57889725e-01 4.30100586e-02] [ 1.20511251e-01 -8.90023587e-02 -2.18443705e-02] [ 4.12825744e-02 5.39975052e-02 -4.68148867e-02] [-3.46998137e-02 -1.21711933e-01 6.24590363e-02] [-1.21980687e-01 -9.76239915e-02 -6.16732034e-02] [-2.34262286e-02 4.16574834e-02 3.06898014e-02] [ 3.94060155e-02 -1.02883335e-02 6.01673841e-02] [-1.97038566e-02 1.35656997e-01 -2.76293496e-02] [ 6.35342434e-02 5.19260786e-02 3.78864213e-03] [ 8.22624246e-02 -9.64943593e-02 4.08359322e-02] [ 1.13161395e-01 1.03954108e-01 1.76076887e-02] [ 3.03315441e-02 9.48103738e-02 -4.98727559e-02]] Final stress: [-0.00052049 -0.00765593 -0.00433709 0.00108756 0.00086122 -0.00142525] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 0.00213076 0.01965741 -0.01981459] [-0.00210205 -0.05628817 -0.024707 ] [-0.01212316 0.04613712 0.00066347] [-0.02805721 -0.01256644 -0.0151923 ] [ 0.04540945 0.03942251 -0.02966497] [-0.04639256 -0.01654987 0.00299004] [-0.02815417 0.01420444 -0.022785 ] [-0.00327419 -0.04681531 0.00111875] [-0.05586308 0.06310119 0.06930016] [ 0.00868448 -0.06456786 -0.04430222] [ 0.01502881 -0.00576917 -0.00210365] [ 0.02966533 0.01631143 0.06461178] [ 0.01525842 -0.01048204 -0.03965826] [ 0.02713065 0.01384361 0.01886369] [ 0.03265851 0.00036115 0.04068009]] Final stress: [-0.00188628 -0.00682691 -0.00400207 0.00143975 0.00097816 0.00147796] 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 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 0.04231472 -0.00302176 0.03402894] [-0.05146477 -0.03408062 0.05925877] [-0.01566854 0.07190232 0.00275355] [-0.00585492 -0.05475634 0.05740297] [ 0.04478177 0.02907527 0.04305357] [-0.03230501 0.0038511 -0.00793091] [-0.0345005 -0.00154958 -0.03666054] [-0.05443917 -0.03854325 -0.05773246] [-0.09083763 0.06918477 0.06633395] [ 0.06365119 -0.04591138 -0.02838944] [ 0.01221724 -0.04127161 -0.0408272 ] [ 0.02136807 0.07861122 -0.01519605] [ 0.06509642 -0.05742213 -0.01118497] [ 0.08785273 0.05511385 -0.02408161] [-0.0522116 -0.03118186 -0.04082856]] Final stress: [-0.00783745 -0.00093443 -0.00383642 -0.00159799 -0.0012281 -0.00433069] Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 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 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-0.08457075 -0.05297819 -0.05867652] [-0.09529807 -0.11578965 0.00142768] [ 0.14367286 0.03538521 0.05416684] [-0.09805306 0.0366962 0.00215421] [ 0.12346305 0.0092824 -0.02362357] [-0.00943411 -0.00244959 0.05333764] [-0.01164099 -0.08408484 0.11956257] [ 0.17782106 0.08127034 -0.06205662] [-0.04874593 0.06816501 0.15897619] [-0.0334132 -0.01777123 0.04245988] [ 0.06367577 0.04286283 0.03139909] [-0.06924457 0.0250691 -0.22309014] [-0.02242565 -0.01727374 0.0270483 ] [-0.06792508 -0.03497427 -0.22037879] [ 0.03211867 0.02659042 0.09729324]] Final stress: [ 0.00294081 -0.01317485 -0.00126559 0.00813482 -0.00300726 -0.00359424] Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 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 27 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 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 7 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 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 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 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 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 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. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 25 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 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 31 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 39 steps. Minimization converged after 34 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 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 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 35 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 42 steps. Final forces: [[-0.08614993 0.02774276 0.02612618] [-0.0782111 0.01021567 -0.01939094] [-0.02594344 -0.03673696 -0.00499562] [ 0.03765633 0.00883599 -0.00700693] [ 0.03521775 -0.02371592 0.03506273] [ 0.16085291 -0.03194991 -0.00933492] [ 0.01240878 -0.07148435 0.05110789] [-0.02856743 -0.01754176 -0.02413745] [ 0.10620314 -0.03078265 -0.05067392] [-0.13208388 0.07499727 0.05792395] [-0.00938146 0.03993448 -0.0524474 ] [-0.04306413 -0.04448857 0.00317048] [-0.02265938 0.02740606 0.00950732] [ 0.03249182 0.04878801 0.03266325] [ 0.04123001 0.01877991 -0.04757461]] Final stress: [-0.00530389 -0.0028179 -0.00272807 -0.00068259 0.00081698 -0.00029618] Minimization converged after 29 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 27 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 29 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 21 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. Minimization converged after 20 steps. Minimization converged after 26 steps. Minimization converged after 22 steps. Minimization converged after 28 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 21 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 28 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 41 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 21 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 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 37 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 26 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 30 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 11 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 27 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 11 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 31 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 24 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 24 steps. Minimization converged after 27 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 26 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 33 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 24 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 10 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 31 steps. Minimization converged after 18 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 20 steps. Minimization converged after 31 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 26 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 43 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 17 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 17 steps. Minimization converged after 7 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 9 steps. Minimization converged after 14 steps. Minimization converged after 17 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 39 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 12 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 9 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 14 steps. Minimization converged after 15 steps. Minimization converged after 14 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 21 steps. Minimization converged after 15 steps. Minimization converged after 23 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 32 steps. Minimization converged after 27 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 7 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 16 steps. Minimization converged after 9 steps. Minimization converged after 9 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 14 steps. Minimization converged after 14 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 9 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 9 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 7 steps. Minimization converged after 7 steps. Minimization converged after 14 steps. Minimization converged after 13 steps. Minimization converged after 14 steps. Minimization converged after 13 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 15 steps. Minimization converged after 14 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 34 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 24 steps. Minimization converged after 16 steps. Minimization converged after 22 steps. Minimization converged after 21 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]: [[-394.75732 609.20615 70.12438 -246.69983 0.00071 -0.00002] [ 609.20615 -394.75692 70.12429 246.69969 -0.00127 -0.00006] [ 70.12438 70.12429 169.42524 0.00001 0.00006 0.00012] [-246.69983 246.69969 0.00001 -121.1709 -0.00003 0.00254] [ 0.00071 -0.00127 0.00006 -0.00003 -121.1696 -246.69995] [ -0.00002 -0.00006 0.00012 0.00254 -246.69995 -501.98102]] 95%% Error estimate [ASE units]: [[0.00069 0.00087 0.00023 0.0002 0.66454 0.00045] [0.00087 0.00036 0.00012 0.00021 0.03699 0.0001 ] [0.00023 0.00012 0.0006 0.0001 0.0004 0.00094] [0.0002 0.00021 0.0001 0.00009 0.00047 0.00286] [0.66454 0.03699 0.0004 0.00047 0.00279 0.00029] [0.00045 0.0001 0.00094 0.00286 0.00029 0.01081]] Maximum deviation from material symmetry [ASE units]: 0.002542 R E S U L T S Elastic constants [GPa]: [[-63247.09506 97605.5856 11235.16494 -39525.66936 0.11388 -0.00362] [ 97605.5856 -63247.03004 11235.14981 39525.64762 -0.20306 -0.00941] [ 11235.16494 11235.14981 27144.91652 0.00168 0.01 0.01948] [-39525.66936 39525.64762 0.00168 -19413.71832 -0.0049 0.40727] [ 0.11388 -0.20306 0.01 -0.0049 -19413.51041 -39525.68845] [ -0.00362 -0.00941 0.01948 0.40727 -39525.68845 -80426.2261 ]] 95 %% Error estimate [GPa]: [[ 0.11077 0.13953 0.03713 0.03207 106.4716 0.0717 ] [ 0.13953 0.05823 0.01856 0.03341 5.92725 0.01591] [ 0.03713 0.01856 0.09625 0.01621 0.06354 0.15104] [ 0.03207 0.03341 0.01621 0.0147 0.07577 0.45814] [106.4716 5.92725 0.06354 0.07577 0.44641 0.04584] [ 0.0717 0.01591 0.15104 0.45814 0.04584 1.73182]] Maximum deviation from material symmetry [GPa] = 0.40727 Bulk modulus [GPa] = 15562.50501 Unique elastic constants for space group 152 [GPa] ['c11', 'c12', 'c13', 'c14', 'c33', 'c44'] [-63247.09506004278, 97605.58559993777, 11235.164937119893, -39525.66936148417, 27144.916516502595, -19413.71831592718] WARNING: Nearest isotropic state not computed.