element(s): ['S', 'Zn'] AFLOW prototype label: AB_hP48_156_9a8b7c_9a8b7c Parameter names: ['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10', 'z11', 'z12', 'z13', 'z14', 'z15', 'z16', 'z17', 'z18', 'z19', 'z20', 'z21', 'z22', 'z23', 'z24', 'z25', 'z26', 'z27', 'z28', 'z29', 'z30', 'z31', 'z32', 'z33', 'z34', 'z35', 'z36', 'z37', 'z38', 'z39', 'z40', 'z41', 'z42', 'z43', 'z44', 'z45', 'z46', 'z47', 'z48'] model type (only 'standard' supported at this time): standard number of parameter sets: 7 Parameter values for parameter set 0: ['3.7978', '19.615541', '0.07289522', '0.82289728', '0.69791606', '0.90622884', '0.98955928', '0.53127236', '0.3645816', '0.23957804', '0.15622664', '0.50000013', '0.66667006', '0.3333345', '0.20833788', '0.12499742', '0.04166543', '0.79166501', '0.87499603', '0.95833108', '0.78125005', '0.40623079', '0.28124943', '0.48955945', '0.57289442', '0.11460217', '0.94794117', '0.65624705', '0.083333155', '0.74999902', '0.91666991', '0.25000038', '0.62500206', '0.3749958', '0.5416667', '0.45833339', '0.19793876', '0.031272695', '0.32291822', '0.44794191', '0.61460127', '0.86460371', '0.73957995', '0.41667521', '0.58333096', '0.29167503', '0.7083297', '0.16667606', '0.99999928', '0.83332943'] Parameter values for parameter set 1: ['3.7981', '19.611148', '0.031246702', '0.94789525', '0.8645589', '0.78123023', '0.65624929', '0.53127042', '0.40627163', '0.28127267', '0.15624998', '0.83332824', '0.25000049', '0.37500054', '0.12500031', '0.50000094', '3.2889655e-06', '0.62499979', '0.91667273', '0.74999609', '0.69791746', '0.82293944', '0.11457997', '0.98960072', '0.5729147', '0.23956145', '0.4895593', '0.32291674', '0.66666877', '0.95833683', '0.54167003', '0.45833036', '0.79166973', '0.20833093', '0.083335903', '0.29166911', '0.90627187', '0.072916226', '0.19791845', '0.36456055', '0.44791573', '0.61457945', '0.73958093', '0.70833367', '0.58333412', '0.041670877', '0.16666912', '0.87500081', '0.41666979', '0.33332947'] Parameter values for parameter set 2: ['3.7986', '19.608092', '0.072916061', '0.7812496', '0.69790364', '0.90623607', '0.98956427', '0.57291698', '0.44791571', '0.32293364', '0.19791794', '0.41667189', '0.29167061', '0.54167149', '0.16666908', '0.041669162', '0.66666819', '0.75000033', '0.87499746', '0.95833282', '0.73959735', '0.2812349', '0.36457788', '0.4895782', '0.15624984', '0.6145802', '0.031266232', '0.86458192', '0', '0.83332895', '0.12500002', '0.7083312', '0.249998', '0.33333308', '0.58333162', '0.45833309', '0.11457949', '0.23958047', '0.82291893', '0.40624794', '0.5312483', '0.94793601', '0.65625064', '0.50000232', '0.37500146', '0.62500063', '0.2083327', '0.083333318', '0.79166967', '0.91667016'] Parameter values for parameter set 3: ['3.7978', '19.615093', '0.031270821', '0.90627098', '0.78127105', '0.65624741', '0.5728958', '0.48955933', '0.40623138', '0.28127264', '0.15627204', '0.54167242', '0.45832792', '0.37499583', '0.62500212', '0.25000094', '0.75000059', '0.12500085', '0', '0.87500007', '0.98956063', '0.07291622', '0.82291634', '0.73956085', '0.23956237', '0.61460023', '0.32291762', '0.44793887', '0.95833054', '0.79166901', '0.70833161', '0.58333631', '0.41666921', '0.29166928', '0.20833076', '0.041669459', '0.86456094', '0.11456132', '0.9479161', '0.19791765', '0.69791702', '0.3645818', '0.53127073', '0.083330239', '0.66666974', '0.16667014', '0.50000045', '0.83332937', '0.91666953', '0.33333272'] Parameter values for parameter set 4: ['3.7986', '19.607461', '0.031268918', '0.9062485', '0.78124739', '0.69789905', '0.57291647', '0.48956022', '0.36457782', '0.2812314', '0.1562503', '0.54167438', '0.45832735', '0.33333264', '0.66666992', '0.24999629', '0.75000147', '0.12500003', '2.7897206e-06', '0.87500122', '0.98956008', '0.072915013', '0.73960044', '0.1979183', '0.61458054', '0.32293717', '0.86457893', '0.44791588', '0.41666973', '0.95833316', '0.83333584', '0.70833559', '0.58333298', '0.2916701', '0.16666832', '0.04167108', '0.53127013', '0.82291626', '0.11457988', '0.94791647', '0.65625066', '0.23958128', '0.40624819', '0.62499845', '0.083333889', '0.50000115', '0.79167084', '0.20833239', '0.9166712', '0.37499988'] Parameter values for parameter set 5: ['3.7986', '19.607724', '0.072915703', '0.82290415', '0.69793468', '0.90623453', '0.98956372', '0.57291733', '0.44791636', '0.32291668', '0.1979169', '0.41667048', '0.29167014', '0.54166996', '0.16667009', '0.041669534', '0.66667036', '0.79166696', '0.87499769', '0.95833256', '0.73957994', '0.031265959', '0.15624898', '0.28124904', '0.40624856', '0.53124914', '0.8645985', '0.65623478', '0', '0.12500089', '0.83332928', '0.2500008', '0.70833086', '0.37500105', '0.6249985', '0.50000092', '0.78125131', '0.11457899', '0.23957923', '0.3645788', '0.94793551', '0.4895788', '0.61458003', '0.45833515', '0.58333413', '0.33333493', '0.74999894', '0.20833474', '0.083334203', '0.91666947'] Parameter values for parameter set 6: ['3.7982', '19.615686', '0.11456021', '0.197918', '0.94791426', '0.36460256', '0.86455764', '0.48955902', '0.7395785', '0.57289498', '0.65622712', '0.33333662', '0.16666837', '0.45833054', '0.083330164', '0.54166504', '0.62499641', '0.70833801', '0.83333197', '0.91667123', '0.69794089', '0.53127441', '0.82291637', '0.40624729', '0.32289336', '0.98955751', '0.23956045', '0.072916433', '0.66667129', '0.79167014', '0.49999956', '0.37500197', '0.95833105', '0.20832892', '0.041671306', '0.29166647', '0.90627195', '0.031272897', '0.15627556', '0.28127392', '0.44791724', '0.61460471', '0.78124864', '0.58332714', '0.74999974', '2.4190176e-06', '0.12500004', '0.87500222', '0.41667554', '0.24999992'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.07289522] [0. 0. 0.82289728] [0. 0. 0.69791606] [0. 0. 0.90622884] [0. 0. 0.98955928] [0. 0. 0.53127236] [0. 0. 0.3645816 ] [0. 0. 0.23957804] [0. 0. 0.15622664] [0.33333333 0.66666667 0.78125005] [0.33333333 0.66666667 0.40623079] [0.33333333 0.66666667 0.28124943] [0.33333333 0.66666667 0.48955945] [0.33333333 0.66666667 0.57289442] [0.33333333 0.66666667 0.11460217] [0.33333333 0.66666667 0.94794117] [0.33333333 0.66666667 0.65624705] [0.66666667 0.33333333 0.19793876] [0.66666667 0.33333333 0.0312727 ] [0.66666667 0.33333333 0.32291822] [0.66666667 0.33333333 0.44794191] [0.66666667 0.33333333 0.61460127] [0.66666667 0.33333333 0.86460371] [0.66666667 0.33333333 0.73957995] [0. 0. 0.50000013] [0. 0. 0.66667006] [0. 0. 0.3333345 ] [0. 0. 0.20833788] [0. 0. 0.12499742] [0. 0. 0.04166543] [0. 0. 0.79166501] [0. 0. 0.87499603] [0. 0. 0.95833108] [0.33333333 0.66666667 0.08333316] [0.33333333 0.66666667 0.74999902] [0.33333333 0.66666667 0.91666991] [0.33333333 0.66666667 0.25000038] [0.33333333 0.66666667 0.62500206] [0.33333333 0.66666667 0.3749958 ] [0.33333333 0.66666667 0.5416667 ] [0.33333333 0.66666667 0.45833339] [0.66666667 0.33333333 0.41667521] [0.66666667 0.33333333 0.58333096] [0.66666667 0.33333333 0.29167503] [0.66666667 0.33333333 0.7083297 ] [0.66666667 0.33333333 0.16667606] [0.66666667 0.33333333 0.99999928] [0.66666667 0.33333333 0.83332943]] spacegroup = 156 cell = [[3.7978, 0, 0], [-1.8989, 3.2889912784925, 0], [0, 0, 74.4959]] ========================================= Step Time Energy fmax BFGS: 0 16:28:50 -139.473829 3.2434 BFGS: 1 16:28:50 -139.916637 3.2320 BFGS: 2 16:28:50 -140.392915 3.2195 BFGS: 3 16:28:50 -140.867457 3.2067 BFGS: 4 16:28:50 -141.340158 3.1935 BFGS: 5 16:28:50 -141.810914 3.1798 BFGS: 6 16:28:50 -142.279623 3.1656 BFGS: 7 16:28:50 -142.746182 3.1508 BFGS: 8 16:28:50 -143.210489 3.1355 BFGS: 9 16:28:51 -143.672442 3.1195 BFGS: 10 16:28:51 -144.131939 3.1029 BFGS: 11 16:28:51 -144.588877 3.0857 BFGS: 12 16:28:51 -145.043151 3.0678 BFGS: 13 16:28:51 -145.494654 3.0492 BFGS: 14 16:28:51 -145.943280 3.0299 BFGS: 15 16:28:51 -146.390138 3.0218 BFGS: 16 16:28:51 -146.836693 3.0066 BFGS: 17 16:28:51 -147.279835 2.9851 BFGS: 18 16:28:51 -147.719669 2.9629 BFGS: 19 16:28:52 -148.156251 2.9438 BFGS: 20 16:28:52 -148.589139 2.9204 BFGS: 21 16:28:52 -149.018316 2.8960 BFGS: 22 16:28:52 -149.443675 2.8707 BFGS: 23 16:28:52 -149.865099 2.8445 BFGS: 24 16:28:52 -150.282465 2.8173 BFGS: 25 16:28:52 -150.695642 2.7893 BFGS: 26 16:28:52 -151.104498 2.7603 BFGS: 27 16:28:52 -151.508894 2.7304 BFGS: 28 16:28:52 -151.908691 2.6995 BFGS: 29 16:28:52 -152.303744 2.6677 BFGS: 30 16:28:52 -152.693906 2.6349 BFGS: 31 16:28:53 -153.079027 2.6010 BFGS: 32 16:28:53 -153.458955 2.5661 BFGS: 33 16:28:53 -153.833534 2.5302 BFGS: 34 16:28:53 -154.202604 2.4932 BFGS: 35 16:28:53 -154.566003 2.4552 BFGS: 36 16:28:53 -154.923566 2.4160 BFGS: 37 16:28:53 -155.275127 2.3759 BFGS: 38 16:28:53 -155.620547 2.3347 BFGS: 39 16:28:53 -155.959622 2.2921 BFGS: 40 16:28:54 -156.292167 2.2482 BFGS: 41 16:28:54 -156.618003 2.2032 BFGS: 42 16:28:54 -156.936942 2.1569 BFGS: 43 16:28:54 -157.248798 2.1093 BFGS: 44 16:28:54 -157.553377 2.0604 BFGS: 45 16:28:54 -157.850485 2.0103 BFGS: 46 16:28:54 -158.139922 1.9587 BFGS: 47 16:28:55 -158.421487 1.9058 BFGS: 48 16:28:55 -158.694973 1.8516 BFGS: 49 16:28:55 -158.960170 1.7959 BFGS: 50 16:28:55 -159.216932 1.7398 BFGS: 51 16:28:55 -159.465219 1.6824 BFGS: 52 16:28:55 -159.704589 1.6225 BFGS: 53 16:28:55 -159.934787 1.5610 BFGS: 54 16:28:55 -160.155595 1.4979 BFGS: 55 16:28:56 -160.366785 1.4333 BFGS: 56 16:28:56 -160.568122 1.3670 BFGS: 57 16:28:56 -160.759370 1.2992 BFGS: 58 16:28:56 -160.940289 1.2297 BFGS: 59 16:28:56 -161.110635 1.1585 BFGS: 60 16:28:56 -161.270162 1.0857 BFGS: 61 16:28:57 -161.418622 1.0112 BFGS: 62 16:28:57 -161.555765 0.9349 BFGS: 63 16:28:57 -161.681339 0.8569 BFGS: 64 16:28:57 -161.795108 0.7774 BFGS: 65 16:28:57 -161.896889 0.6960 BFGS: 66 16:28:57 -161.986354 0.6129 BFGS: 67 16:28:57 -162.063251 0.5279 BFGS: 68 16:28:57 -162.127340 0.4413 BFGS: 69 16:28:57 -162.178395 0.3529 BFGS: 70 16:28:58 -162.216213 0.2630 BFGS: 71 16:28:58 -162.240632 0.1718 BFGS: 72 16:28:58 -162.251598 0.0799 BFGS: 73 16:28:58 -162.252344 0.0502 BFGS: 74 16:28:58 -162.252413 0.0497 BFGS: 75 16:28:58 -162.255479 0.0674 BFGS: 76 16:28:58 -162.258602 0.1047 BFGS: 77 16:28:58 -162.262023 0.1415 BFGS: 78 16:28:58 -162.266111 0.1769 BFGS: 79 16:28:58 -162.271340 0.2104 BFGS: 80 16:28:58 -162.278205 0.2415 BFGS: 81 16:28:59 -162.287172 0.2700 BFGS: 82 16:28:59 -162.298553 0.2960 BFGS: 83 16:28:59 -162.312579 0.3195 BFGS: 84 16:28:59 -162.329362 0.3410 BFGS: 85 16:28:59 -162.349001 0.3606 BFGS: 86 16:28:59 -162.371536 0.3785 BFGS: 87 16:28:59 -162.397004 0.3949 BFGS: 88 16:29:00 -162.425419 0.4099 BFGS: 89 16:29:00 -162.456749 0.4235 BFGS: 90 16:29:00 -162.490963 0.4364 BFGS: 91 16:29:00 -162.528021 0.4483 BFGS: 92 16:29:00 -162.567893 0.4594 BFGS: 93 16:29:00 -162.610540 0.4697 BFGS: 94 16:29:00 -162.655928 0.4795 BFGS: 95 16:29:00 -162.704017 0.4889 BFGS: 96 16:29:01 -162.754781 0.5074 BFGS: 97 16:29:01 -162.808165 0.5464 BFGS: 98 16:29:01 -162.864155 0.5859 BFGS: 99 16:29:01 -162.922721 0.6258 BFGS: 100 16:29:01 -162.983841 0.6660 BFGS: 101 16:29:01 -163.047494 0.7065 BFGS: 102 16:29:01 -163.113665 0.7472 BFGS: 103 16:29:02 -163.182341 0.7880 BFGS: 104 16:29:02 -163.253519 0.8290 BFGS: 105 16:29:02 -163.327231 0.8710 BFGS: 106 16:29:02 -163.403477 0.9126 BFGS: 107 16:29:02 -163.482211 0.9541 BFGS: 108 16:29:02 -163.563444 0.9957 BFGS: 109 16:29:02 -163.647192 1.0374 BFGS: 110 16:29:02 -163.733456 1.0793 BFGS: 111 16:29:03 -163.822255 1.1214 BFGS: 112 16:29:03 -163.913613 1.1635 BFGS: 113 16:29:03 -164.007562 1.2059 BFGS: 114 16:29:03 -164.104168 1.2496 BFGS: 115 16:29:03 -164.203498 1.2930 BFGS: 116 16:29:03 -164.305536 1.3369 BFGS: 117 16:29:03 -164.410370 1.3802 BFGS: 118 16:29:03 -164.518032 1.4236 BFGS: 119 16:29:03 -164.628609 1.4673 BFGS: 120 16:29:03 -164.742192 1.5112 BFGS: 121 16:29:04 -164.858901 1.5564 BFGS: 122 16:29:04 -164.978896 1.6021 BFGS: 123 16:29:04 -165.102277 1.6474 BFGS: 124 16:29:04 -165.229227 1.6930 BFGS: 125 16:29:04 -165.359968 1.7391 BFGS: 126 16:29:04 -165.494766 1.7858 BFGS: 127 16:29:04 -165.633944 1.8331 BFGS: 128 16:29:05 -165.777955 1.8819 BFGS: 129 16:29:05 -165.927282 1.9307 BFGS: 130 16:29:05 -166.082557 1.9806 BFGS: 131 16:29:05 -166.244616 2.0316 BFGS: 132 16:29:05 -166.414573 2.0839 BFGS: 133 16:29:05 -166.593947 2.1377 BFGS: 134 16:29:05 -166.784878 2.1931 BFGS: 135 16:29:05 -166.990481 2.2505 BFGS: 136 16:29:05 -167.215469 2.3102 BFGS: 137 16:29:05 -167.467313 2.3724 BFGS: 138 16:29:05 -167.758215 2.4370 BFGS: 139 16:29:06 -168.108647 2.6440 BFGS: 140 16:29:06 -168.527537 3.1514 BFGS: 141 16:29:06 -168.959778 3.6163 BFGS: 142 16:29:06 -169.413006 3.9895 BFGS: 143 16:29:06 -169.895202 4.2243 BFGS: 144 16:29:06 -170.417341 4.2934 BFGS: 145 16:29:06 -171.001177 4.2247 BFGS: 146 16:29:06 -171.661339 4.0465 BFGS: 147 16:29:06 -172.314590 4.1169 BFGS: 148 16:29:06 -172.849692 4.4067 BFGS: 149 16:29:06 -173.423087 4.3469 BFGS: 150 16:29:06 -174.040917 4.3921 BFGS: 151 16:29:06 -174.640147 4.2270 BFGS: 152 16:29:06 -175.241561 4.0432 BFGS: 153 16:29:06 -175.851322 3.8094 BFGS: 154 16:29:06 -176.471883 3.5474 BFGS: 155 16:29:06 -177.106930 3.2648 BFGS: 156 16:29:06 -177.745481 3.2957 BFGS: 157 16:29:06 -178.389965 3.3856 BFGS: 158 16:29:07 -179.042813 3.4784 BFGS: 159 16:29:07 -179.698522 3.7372 BFGS: 160 16:29:07 -180.263963 4.1253 BFGS: 161 16:29:07 -180.900032 4.5420 BFGS: 162 16:29:07 -181.696192 4.9858 BFGS: 163 16:29:07 -182.480128 5.3374 BFGS: 164 16:29:07 -183.252213 5.5784 BFGS: 165 16:29:07 -184.007486 5.6940 BFGS: 166 16:29:07 -184.741016 5.6888 BFGS: 167 16:29:07 -185.449785 5.8916 BFGS: 168 16:29:07 -186.134512 6.2563 BFGS: 169 16:29:07 -186.798388 6.5371 BFGS: 170 16:29:07 -187.446341 6.7422 BFGS: 171 16:29:07 -188.083277 6.8790 BFGS: 172 16:29:07 -188.713398 6.9534 BFGS: 173 16:29:07 -189.339715 6.9692 BFGS: 174 16:29:07 -189.964049 6.9302 BFGS: 175 16:29:07 -190.587726 6.8400 BFGS: 176 16:29:08 -191.211151 6.7046 BFGS: 177 16:29:08 -191.835327 6.5257 BFGS: 178 16:29:08 -192.458781 6.3148 BFGS: 179 16:29:08 -193.082430 6.0791 BFGS: 180 16:29:08 -193.706139 5.8252 BFGS: 181 16:29:08 -194.329743 5.5633 BFGS: 182 16:29:08 -194.953115 5.2942 BFGS: 183 16:29:08 -195.575609 5.0403 BFGS: 184 16:29:08 -196.196878 4.9720 BFGS: 185 16:29:08 -196.815702 5.2462 BFGS: 186 16:29:08 -197.430574 5.5159 BFGS: 187 16:29:08 -198.039145 6.3047 BFGS: 188 16:29:08 -198.638236 7.0822 BFGS: 189 16:29:08 -199.223701 7.8300 BFGS: 190 16:29:08 -199.790919 8.5527 BFGS: 191 16:29:08 -200.337078 9.2377 BFGS: 192 16:29:08 -200.860162 9.8698 BFGS: 193 16:29:08 -201.361156 10.4490 BFGS: 194 16:29:08 -201.841152 10.9716 BFGS: 195 16:29:09 -202.303667 11.4425 BFGS: 196 16:29:09 -202.752849 11.8658 BFGS: 197 16:29:09 -203.192638 12.2510 BFGS: 198 16:29:09 -203.626401 12.6053 BFGS: 199 16:29:09 -204.057678 12.9385 BFGS: 200 16:29:09 -204.488968 13.2556 BFGS: 201 16:29:09 -204.921652 13.5684 BFGS: 202 16:29:09 -205.341968 13.9439 BFGS: 203 16:29:09 -205.806701 14.1054 BFGS: 204 16:29:09 -206.315787 14.2159 BFGS: 205 16:29:09 -206.959528 14.2213 BFGS: 206 16:29:09 -207.651843 14.3493 BFGS: 207 16:29:09 -208.479595 14.2201 BFGS: 208 16:29:09 -209.468337 14.1824 BFGS: 209 16:29:09 -210.604402 13.9744 BFGS: 210 16:29:09 -211.973033 13.7924 BFGS: 211 16:29:09 -213.569021 13.4703 BFGS: 212 16:29:10 -215.253109 13.2063 BFGS: 213 16:29:10 -216.985843 12.8658 BFGS: 214 16:29:10 -218.751044 12.6090 BFGS: 215 16:29:10 -220.575380 12.2911 BFGS: 216 16:29:10 -222.461253 12.0627 BFGS: 217 16:29:10 -224.437029 11.7679 BFGS: 218 16:29:10 -226.522289 11.5683 BFGS: 219 16:29:10 -228.757671 11.2727 BFGS: 220 16:29:10 -231.178610 11.0944 BFGS: 221 16:29:10 -233.702531 10.7876 BFGS: 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16:37:26 -398.661698 0.0002 BFGS: 9860 16:37:26 -398.661698 0.0002 BFGS: 9861 16:37:26 -398.661698 0.0002 BFGS: 9862 16:37:26 -398.661698 0.0002 BFGS: 9863 16:37:26 -398.661698 0.0002 BFGS: 9864 16:37:26 -398.661698 0.0002 BFGS: 9865 16:37:26 -398.661698 0.0002 BFGS: 9866 16:37:26 -398.661698 0.0002 BFGS: 9867 16:37:26 -398.661698 0.0002 BFGS: 9868 16:37:27 -398.661698 0.0002 BFGS: 9869 16:37:27 -398.661698 0.0002 BFGS: 9870 16:37:27 -398.661698 0.0002 BFGS: 9871 16:37:27 -398.661698 0.0002 BFGS: 9872 16:37:27 -398.661698 0.0002 BFGS: 9873 16:37:27 -398.661698 0.0002 BFGS: 9874 16:37:27 -398.661698 0.0002 BFGS: 9875 16:37:27 -398.661698 0.0002 BFGS: 9876 16:37:27 -398.661698 0.0002 BFGS: 9877 16:37:27 -398.661698 0.0002 BFGS: 9878 16:37:27 -398.661698 0.0002 BFGS: 9879 16:37:27 -398.661698 0.0002 BFGS: 9880 16:37:27 -398.661698 0.0002 BFGS: 9881 16:37:27 -398.661698 0.0002 BFGS: 9882 16:37:27 -398.661698 0.0002 BFGS: 9883 16:37:27 -398.661698 0.0002 BFGS: 9884 16:37:27 -398.661698 0.0002 BFGS: 9885 16:37:27 -398.661698 0.0002 BFGS: 9886 16:37:27 -398.661698 0.0002 BFGS: 9887 16:37:27 -398.661698 0.0002 BFGS: 9888 16:37:27 -398.661698 0.0002 BFGS: 9889 16:37:28 -398.661698 0.0002 BFGS: 9890 16:37:28 -398.661698 0.0002 BFGS: 9891 16:37:28 -398.661698 0.0002 BFGS: 9892 16:37:28 -398.661698 0.0002 BFGS: 9893 16:37:28 -398.661698 0.0002 BFGS: 9894 16:37:28 -398.661698 0.0002 BFGS: 9895 16:37:28 -398.661698 0.0002 BFGS: 9896 16:37:28 -398.661698 0.0002 BFGS: 9897 16:37:28 -398.661698 0.0002 BFGS: 9898 16:37:28 -398.661698 0.0002 BFGS: 9899 16:37:28 -398.661698 0.0002 BFGS: 9900 16:37:28 -398.661698 0.0002 BFGS: 9901 16:37:28 -398.661698 0.0002 BFGS: 9902 16:37:28 -398.661698 0.0002 BFGS: 9903 16:37:28 -398.661698 0.0002 BFGS: 9904 16:37:28 -398.661698 0.0002 BFGS: 9905 16:37:28 -398.661698 0.0002 BFGS: 9906 16:37:28 -398.661698 0.0002 BFGS: 9907 16:37:28 -398.661698 0.0002 BFGS: 9908 16:37:28 -398.661698 0.0002 BFGS: 9909 16:37:28 -398.661698 0.0002 BFGS: 9910 16:37:28 -398.661698 0.0002 BFGS: 9911 16:37:29 -398.661698 0.0002 BFGS: 9912 16:37:29 -398.661698 0.0002 BFGS: 9913 16:37:29 -398.661698 0.0002 BFGS: 9914 16:37:29 -398.661698 0.0002 BFGS: 9915 16:37:29 -398.661698 0.0002 BFGS: 9916 16:37:29 -398.661698 0.0002 BFGS: 9917 16:37:29 -398.661698 0.0002 BFGS: 9918 16:37:29 -398.661698 0.0002 BFGS: 9919 16:37:29 -398.661698 0.0002 BFGS: 9920 16:37:29 -398.661698 0.0002 BFGS: 9921 16:37:29 -398.661698 0.0002 BFGS: 9922 16:37:29 -398.661698 0.0002 BFGS: 9923 16:37:29 -398.661698 0.0002 BFGS: 9924 16:37:29 -398.661698 0.0002 BFGS: 9925 16:37:29 -398.661698 0.0002 BFGS: 9926 16:37:29 -398.661698 0.0002 BFGS: 9927 16:37:29 -398.661698 0.0002 BFGS: 9928 16:37:29 -398.661698 0.0002 BFGS: 9929 16:37:29 -398.661698 0.0002 BFGS: 9930 16:37:29 -398.661698 0.0002 BFGS: 9931 16:37:29 -398.661698 0.0002 BFGS: 9932 16:37:29 -398.661698 0.0002 BFGS: 9933 16:37:30 -398.661698 0.0002 BFGS: 9934 16:37:30 -398.661698 0.0002 BFGS: 9935 16:37:30 -398.661698 0.0002 BFGS: 9936 16:37:30 -398.661698 0.0002 BFGS: 9937 16:37:30 -398.661698 0.0002 BFGS: 9938 16:37:30 -398.661698 0.0002 BFGS: 9939 16:37:30 -398.661698 0.0002 BFGS: 9940 16:37:30 -398.661698 0.0002 BFGS: 9941 16:37:30 -398.661698 0.0002 BFGS: 9942 16:37:30 -398.661698 0.0002 BFGS: 9943 16:37:30 -398.661698 0.0002 BFGS: 9944 16:37:30 -398.661698 0.0002 BFGS: 9945 16:37:30 -398.661698 0.0002 BFGS: 9946 16:37:30 -398.661698 0.0002 BFGS: 9947 16:37:30 -398.661698 0.0002 BFGS: 9948 16:37:30 -398.661698 0.0002 BFGS: 9949 16:37:30 -398.661698 0.0002 BFGS: 9950 16:37:30 -398.661698 0.0002 BFGS: 9951 16:37:30 -398.661698 0.0002 BFGS: 9952 16:37:30 -398.661698 0.0002 BFGS: 9953 16:37:30 -398.661698 0.0002 BFGS: 9954 16:37:31 -398.661698 0.0002 BFGS: 9955 16:37:31 -398.661698 0.0002 BFGS: 9956 16:37:31 -398.661698 0.0002 BFGS: 9957 16:37:31 -398.661698 0.0002 BFGS: 9958 16:37:31 -398.661698 0.0002 BFGS: 9959 16:37:31 -398.661698 0.0002 BFGS: 9960 16:37:31 -398.661698 0.0002 BFGS: 9961 16:37:31 -398.661698 0.0002 BFGS: 9962 16:37:31 -398.661698 0.0002 BFGS: 9963 16:37:31 -398.661698 0.0002 BFGS: 9964 16:37:31 -398.661698 0.0002 BFGS: 9965 16:37:31 -398.661698 0.0002 BFGS: 9966 16:37:31 -398.661698 0.0002 BFGS: 9967 16:37:31 -398.661698 0.0002 BFGS: 9968 16:37:31 -398.661698 0.0002 BFGS: 9969 16:37:31 -398.661698 0.0002 BFGS: 9970 16:37:31 -398.661698 0.0002 BFGS: 9971 16:37:31 -398.661698 0.0002 BFGS: 9972 16:37:31 -398.661698 0.0002 BFGS: 9973 16:37:31 -398.661698 0.0002 BFGS: 9974 16:37:31 -398.661698 0.0002 BFGS: 9975 16:37:31 -398.661698 0.0002 BFGS: 9976 16:37:32 -398.661698 0.0002 BFGS: 9977 16:37:32 -398.661698 0.0002 BFGS: 9978 16:37:32 -398.661698 0.0002 BFGS: 9979 16:37:32 -398.661698 0.0002 BFGS: 9980 16:37:32 -398.661698 0.0002 BFGS: 9981 16:37:32 -398.661698 0.0002 BFGS: 9982 16:37:32 -398.661698 0.0002 BFGS: 9983 16:37:32 -398.661698 0.0002 BFGS: 9984 16:37:32 -398.661698 0.0002 BFGS: 9985 16:37:32 -398.661698 0.0002 BFGS: 9986 16:37:32 -398.661698 0.0002 BFGS: 9987 16:37:32 -398.661698 0.0002 BFGS: 9988 16:37:32 -398.661698 0.0002 BFGS: 9989 16:37:32 -398.661698 0.0002 BFGS: 9990 16:37:32 -398.661698 0.0002 BFGS: 9991 16:37:32 -398.661698 0.0002 BFGS: 9992 16:37:32 -398.661698 0.0002 BFGS: 9993 16:37:32 -398.661698 0.0002 BFGS: 9994 16:37:32 -398.661698 0.0002 BFGS: 9995 16:37:32 -398.661698 0.0002 BFGS: 9996 16:37:32 -398.661698 0.0002 BFGS: 9997 16:37:32 -398.661698 0.0002 BFGS: 9998 16:37:33 -398.661698 0.0002 BFGS: 9999 16:37:33 -398.661698 0.0002 BFGS: 10000 16:37:33 -398.661698 0.0002 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.00028799557738785295 eV/Angstrom Maximum stress component: 3.930982303624379e-06 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[6.08749763e-29 8.30215738e-29 8.32756865e-02] [9.61634501e-29 0.00000000e+00 8.14529348e-01] [3.69111709e-28 6.46694364e-28 6.72523296e-01] [0.00000000e+00 0.00000000e+00 9.04225614e-01] [9.43339577e-29 4.01999199e-28 9.93693319e-01] [0.00000000e+00 0.00000000e+00 4.97054465e-01] [1.35283747e-28 8.73911303e-29 3.52011932e-01] [3.20724566e-28 5.89890130e-28 2.63108323e-01] [0.00000000e+00 0.00000000e+00 1.73379515e-01] [3.33333333e-01 6.66666667e-01 7.82771760e-01] [3.33333333e-01 6.66666667e-01 4.16305060e-01] [3.33333333e-01 6.66666667e-01 3.26763647e-01] [3.33333333e-01 6.66666667e-01 5.07368489e-01] [3.33333333e-01 6.66666667e-01 5.97227107e-01] [3.33333333e-01 6.66666667e-01 1.02252041e-01] [3.33333333e-01 6.66666667e-01 9.23733966e-01] [3.33333333e-01 6.66666667e-01 6.88730637e-01] [6.66666667e-01 3.33333333e-01 2.46362008e-01] [6.66666667e-01 3.33333333e-01 1.33164672e-02] [6.66666667e-01 3.33333333e-01 3.39423777e-01] [6.66666667e-01 3.33333333e-01 5.22159910e-01] [6.66666667e-01 3.33333333e-01 6.13810702e-01] [6.66666667e-01 3.33333333e-01 8.38531841e-01] [6.66666667e-01 3.33333333e-01 7.53437920e-01] [3.65712136e-28 6.90389929e-28 4.39850760e-01] [3.23641338e-28 3.84520973e-28 6.27828439e-01] [0.00000000e+00 0.00000000e+00 3.08302281e-01] [1.42811737e-28 2.79651617e-28 2.19302340e-01] [0.00000000e+00 0.00000000e+00 1.28157497e-01] [2.92882322e-29 4.69727325e-29 3.76303325e-02] [3.64689382e-28 7.16607269e-28 7.67695935e-01] [3.88930587e-28 5.41825008e-28 8.59158519e-01] [7.14381911e-28 1.04869356e-27 9.48153433e-01] [3.33333333e-01 6.66666667e-01 5.72713465e-02] [3.33333333e-01 6.66666667e-01 7.33851589e-01] [3.33333333e-01 6.66666667e-01 8.78520072e-01] [3.33333333e-01 6.66666667e-01 2.79055979e-01] [3.33333333e-01 6.66666667e-01 6.44735124e-01] [3.33333333e-01 6.66666667e-01 3.71915635e-01] [3.33333333e-01 6.66666667e-01 5.50634418e-01] [3.33333333e-01 6.66666667e-01 4.61749692e-01] [6.66666667e-01 3.33333333e-01 4.77487182e-01] [6.66666667e-01 3.33333333e-01 5.69812370e-01] [6.66666667e-01 3.33333333e-01 2.93538323e-01] [6.66666667e-01 3.33333333e-01 7.07874283e-01] [6.66666667e-01 3.33333333e-01 1.96822441e-01] [6.66666667e-01 3.33333333e-01 9.68147817e-01] [6.66666667e-01 3.33333333e-01 7.96507350e-01]] cellpar = Cell([[3.3354345547912048, 6.916503444040115e-17, 1.9616507597330971e-16], [-1.6677172773956024, 2.8885710571111756, 1.8676549815608255e-14], [3.677023298554791e-15, 4.1843376573241596e-13, 48.05826950180348]]) forces = [[ 8.72764719e-22 9.93178845e-20 1.14069324e-05] [-4.86787984e-22 -5.53949520e-20 -6.36226268e-06] [ 1.17835199e-21 1.34092953e-19 1.54009445e-05] [ 8.07640532e-21 9.19069706e-19 1.05557685e-04] [-1.69612828e-20 -1.93014100e-18 -2.21682006e-04] [ 2.81618139e-21 3.20472259e-19 3.68071212e-05] [-8.26744246e-21 -9.40809128e-19 -1.08054517e-04] [ 6.09413164e-21 6.93493145e-19 7.96495961e-05] [-1.40484947e-20 -1.59867484e-18 -1.83612205e-04] [-4.37548318e-21 -4.97916319e-19 -5.71870595e-05] [-8.03793105e-21 -9.14691445e-19 -1.05054830e-04] [-6.33751376e-22 -7.21189270e-20 -8.28305723e-06] [ 9.87631328e-21 1.12389360e-18 1.29082273e-04] [ 2.20350516e-20 2.50752004e-18 2.87995577e-04] [ 1.12358516e-20 1.27860479e-18 1.46851279e-04] [-2.77161249e-21 -3.15400929e-19 -3.62246645e-05] [-8.04152568e-21 -9.15100710e-19 -1.05101835e-04] [-1.03717996e-20 -1.18027840e-18 -1.35558222e-04] [ 1.40578993e-22 1.59974502e-20 1.83735118e-06] [ 1.17085479e-20 1.33239618e-18 1.53029367e-04] [-3.46224509e-21 -3.93992676e-19 -4.52511431e-05] [-4.54918812e-21 -5.17683398e-19 -5.94573628e-05] [-9.76560199e-21 -1.11129500e-18 -1.27635289e-04] [ 3.26604685e-21 3.71665852e-19 4.26868460e-05] [ 7.56249600e-21 8.60588467e-19 9.88409537e-05] [ 2.88665756e-21 3.28492614e-19 3.77282807e-05] [-9.32118821e-21 -1.06072210e-18 -1.21826852e-04] [ 7.96823588e-21 9.06760354e-19 1.04143922e-04] [ 9.74721680e-21 1.10920283e-18 1.27394997e-04] [ 1.13358196e-20 1.28998086e-18 1.48157852e-04] [ 6.23757480e-21 7.09816528e-19 8.15243816e-05] [-8.63784995e-21 -9.82960342e-19 -1.12895700e-04] [-3.53399054e-21 -4.02157084e-19 -4.61888479e-05] [ 1.59281312e-20 1.81257163e-18 2.08178839e-04] [-2.06979709e-21 -2.35536444e-19 -2.70520088e-05] [ 1.08368039e-20 1.23319438e-18 1.41635768e-04] [ 5.99166761e-22 6.81835118e-20 7.83106379e-06] [-8.99065141e-21 -1.02310806e-18 -1.17506776e-04] [-4.49893280e-21 -5.11964587e-19 -5.88005416e-05] [-7.73070936e-22 -8.79730577e-20 -1.01039478e-05] [ 1.02558470e-21 1.16708336e-19 1.34042735e-05] [-7.98807825e-21 -9.09018353e-19 -1.04403259e-04] [-4.46979742e-21 -5.08648984e-19 -5.84197356e-05] [-2.10810653e-21 -2.39895938e-19 -2.75527087e-05] [ 7.29597171e-22 8.30258791e-20 9.53575070e-06] [-6.79192890e-21 -7.72900242e-19 -8.87697198e-05] [-3.21000770e-22 -3.65288849e-20 -4.19544296e-06] [-8.79966497e-22 -1.00137439e-19 -1.15010604e-05]] stress = [ 2.27495166e-06 2.27495166e-06 -3.93098230e-06 5.74236563e-21 5.71301182e-23 8.80847577e-21] energy per atom = -8.305452036350056 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.0312467 ] [0. 0. 0.94789525] [0. 0. 0.8645589 ] [0. 0. 0.78123023] [0. 0. 0.65624929] [0. 0. 0.53127042] [0. 0. 0.40627163] [0. 0. 0.28127267] [0. 0. 0.15624998] [0.33333333 0.66666667 0.69791746] [0.33333333 0.66666667 0.82293944] [0.33333333 0.66666667 0.11457997] [0.33333333 0.66666667 0.98960072] [0.33333333 0.66666667 0.5729147 ] [0.33333333 0.66666667 0.23956145] [0.33333333 0.66666667 0.4895593 ] [0.33333333 0.66666667 0.32291674] [0.66666667 0.33333333 0.90627187] [0.66666667 0.33333333 0.07291623] [0.66666667 0.33333333 0.19791845] [0.66666667 0.33333333 0.36456055] [0.66666667 0.33333333 0.44791573] [0.66666667 0.33333333 0.61457945] [0.66666667 0.33333333 0.73958093] [0. 0. 0.83332824] [0. 0. 0.25000049] [0. 0. 0.37500054] [0. 0. 0.12500031] [0. 0. 0.50000094] [0. 0. 0. ] [0. 0. 0.62499979] [0. 0. 0.91667273] [0. 0. 0.74999609] [0.33333333 0.66666667 0.66666877] [0.33333333 0.66666667 0.95833683] [0.33333333 0.66666667 0.54167003] [0.33333333 0.66666667 0.45833036] [0.33333333 0.66666667 0.79166973] [0.33333333 0.66666667 0.20833093] [0.33333333 0.66666667 0.0833359 ] [0.33333333 0.66666667 0.29166911] [0.66666667 0.33333333 0.70833367] [0.66666667 0.33333333 0.58333412] [0.66666667 0.33333333 0.04167088] [0.66666667 0.33333333 0.16666912] [0.66666667 0.33333333 0.87500081] [0.66666667 0.33333333 0.41666979] [0.66666667 0.33333333 0.33332947]] spacegroup = 156 cell = [[3.7981, 0, 0], [-1.89905, 3.2892510861137, 0], [0, 0, 74.4851]] ========================================= Step Time Energy fmax BFGS: 0 16:37:36 -139.452255 3.2349 BFGS: 1 16:37:37 -139.894610 3.2238 BFGS: 2 16:37:37 -140.371634 3.2115 BFGS: 3 16:37:37 -140.846902 3.1988 BFGS: 4 16:37:37 -141.320313 3.1857 BFGS: 5 16:37:37 -141.791766 3.1720 BFGS: 6 16:37:37 -142.261159 3.1578 BFGS: 7 16:37:37 -142.728392 3.1430 BFGS: 8 16:37:37 -143.193364 3.1277 BFGS: 9 16:37:37 -143.655974 3.1117 BFGS: 10 16:37:37 -144.116119 3.0951 BFGS: 11 16:37:37 -144.573696 3.0778 BFGS: 12 16:37:37 -145.028601 3.0598 BFGS: 13 16:37:37 -145.480726 3.0411 BFGS: 14 16:37:37 -145.929963 3.0217 BFGS: 15 16:37:37 -146.377409 3.0124 BFGS: 16 16:37:37 -146.824700 3.0004 BFGS: 17 16:37:37 -147.268441 2.9788 BFGS: 18 16:37:38 -147.708867 2.9570 BFGS: 19 16:37:38 -148.145987 2.9364 BFGS: 20 16:37:38 -148.579430 2.9128 BFGS: 21 16:37:38 -149.009162 2.8882 BFGS: 22 16:37:38 -149.435072 2.8627 BFGS: 23 16:37:38 -149.857038 2.8364 BFGS: 24 16:37:38 -150.274933 2.8091 BFGS: 25 16:37:38 -150.688626 2.7809 BFGS: 26 16:37:38 -151.097982 2.7518 BFGS: 27 16:37:38 -151.502862 2.7217 BFGS: 28 16:37:38 -151.903125 2.6907 BFGS: 29 16:37:38 -152.298625 2.6587 BFGS: 30 16:37:38 -152.689215 2.6257 BFGS: 31 16:37:38 -153.074743 2.5916 BFGS: 32 16:37:38 -153.455055 2.5566 BFGS: 33 16:37:38 -153.829995 2.5204 BFGS: 34 16:37:38 -154.199402 2.4833 BFGS: 35 16:37:38 -154.563112 2.4450 BFGS: 36 16:37:38 -154.920959 2.4055 BFGS: 37 16:37:38 -155.272788 2.3653 BFGS: 38 16:37:38 -155.618428 2.3237 BFGS: 39 16:37:38 -155.957687 2.2808 BFGS: 40 16:37:38 -156.290384 2.2366 BFGS: 41 16:37:38 -156.616335 2.1913 BFGS: 42 16:37:38 -156.935353 2.1447 BFGS: 43 16:37:38 -157.247248 2.0968 BFGS: 44 16:37:38 -157.551827 2.0475 BFGS: 45 16:37:39 -157.848890 1.9970 BFGS: 46 16:37:39 -158.138238 1.9451 BFGS: 47 16:37:39 -158.419664 1.8918 BFGS: 48 16:37:39 -158.692961 1.8371 BFGS: 49 16:37:39 -158.957920 1.7814 BFGS: 50 16:37:39 -159.214439 1.7248 BFGS: 51 16:37:39 -159.462316 1.6661 BFGS: 52 16:37:39 -159.701170 1.6056 BFGS: 53 16:37:39 -159.930792 1.5435 BFGS: 54 16:37:39 -160.150952 1.4799 BFGS: 55 16:37:39 -160.361415 1.4146 BFGS: 56 16:37:39 -160.561943 1.3477 BFGS: 57 16:37:39 -160.752293 1.2792 BFGS: 58 16:37:39 -160.932219 1.2090 BFGS: 59 16:37:39 -161.101470 1.1371 BFGS: 60 16:37:39 -161.259795 1.0634 BFGS: 61 16:37:39 -161.406935 0.9881 BFGS: 62 16:37:39 -161.542634 0.9109 BFGS: 63 16:37:39 -161.666629 0.8320 BFGS: 64 16:37:39 -161.778691 0.7516 BFGS: 65 16:37:39 -161.878597 0.6692 BFGS: 66 16:37:39 -161.966012 0.5848 BFGS: 67 16:37:39 -162.040672 0.4985 BFGS: 68 16:37:39 -162.102320 0.4105 BFGS: 69 16:37:39 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747 16:38:08 -464.332526 1.5298 BFGS: 748 16:38:08 -464.513601 1.5626 BFGS: 749 16:38:08 -464.716102 1.5952 BFGS: 750 16:38:09 -464.930778 1.6267 BFGS: 751 16:38:09 -465.162744 1.6569 BFGS: 752 16:38:09 -465.422451 1.6874 BFGS: 753 16:38:09 -465.695059 1.7125 BFGS: 754 16:38:09 -465.954612 1.7225 BFGS: 755 16:38:09 -466.215225 1.7109 BFGS: 756 16:38:09 -466.485222 2.2998 BFGS: 757 16:38:09 -466.759175 2.7980 BFGS: 758 16:38:09 -467.040403 3.1902 BFGS: 759 16:38:09 -467.326262 3.4785 BFGS: 760 16:38:09 -467.616969 3.6341 BFGS: 761 16:38:09 -467.897704 3.6451 BFGS: 762 16:38:09 -468.157167 3.5002 BFGS: 763 16:38:09 -468.393154 3.1974 BFGS: 764 16:38:09 -468.599516 2.7290 BFGS: 765 16:38:09 -468.761005 2.0893 BFGS: 766 16:38:09 -468.866077 1.2575 BFGS: 767 16:38:09 -468.902614 0.9065 BFGS: 768 16:38:09 -468.907392 0.8631 BFGS: 769 16:38:09 -468.912834 0.9151 BFGS: 770 16:38:09 -468.913934 0.9432 BFGS: 771 16:38:10 -468.915399 1.0352 BFGS: 772 16:38:10 -468.916796 1.1132 BFGS: 773 16:38:10 -468.918388 1.1806 BFGS: 774 16:38:10 -468.919616 1.2003 BFGS: 775 16:38:10 -468.920228 1.1799 BFGS: 776 16:38:10 -468.920487 1.1553 BFGS: 777 16:38:10 -468.920613 1.1353 BFGS: 778 16:38:10 -468.920667 1.1256 BFGS: 779 16:38:10 -468.920691 1.1190 BFGS: 780 16:38:10 -468.920699 1.1187 BFGS: 781 16:38:10 -468.920709 1.1202 BFGS: 782 16:38:10 -468.920713 1.1215 BFGS: 783 16:38:10 -468.920729 1.1263 BFGS: 784 16:38:10 -468.920757 1.1316 BFGS: 785 16:38:10 -468.920836 1.1412 BFGS: 786 16:38:10 -468.921029 1.1552 BFGS: 787 16:38:10 -468.921539 1.1771 BFGS: 788 16:38:10 -468.922847 1.2088 BFGS: 789 16:38:10 -468.926215 1.2515 BFGS: 790 16:38:10 -468.934647 1.2968 BFGS: 791 16:38:10 -468.954524 1.3096 BFGS: 792 16:38:11 -468.990459 1.2162 BFGS: 793 16:38:11 -469.031536 1.0203 BFGS: 794 16:38:11 -469.071139 0.7538 BFGS: 795 16:38:11 -469.104098 0.4113 BFGS: 796 16:38:11 -469.119603 0.0673 BFGS: 797 16:38:11 -469.120195 0.0297 BFGS: 798 16:38:11 -469.120314 0.0048 BFGS: 799 16:38:11 -469.120314 0.0027 BFGS: 800 16:38:11 -469.120315 0.0005 BFGS: 801 16:38:11 -469.120315 0.0002 BFGS: 802 16:38:11 -469.120315 0.0000 BFGS: 803 16:38:11 -469.120315 0.0000 BFGS: 804 16:38:11 -469.120315 0.0000 BFGS: 805 16:38:11 -469.120315 0.0000 BFGS: 806 16:38:11 -469.120315 0.0000 BFGS: 807 16:38:11 -469.120315 0.0000 BFGS: 808 16:38:11 -469.120315 0.0000 BFGS: 809 16:38:11 -469.120315 0.0000 BFGS: 810 16:38:11 -469.120315 0.0000 BFGS: 811 16:38:11 -469.120315 0.0000 BFGS: 812 16:38:12 -469.120315 0.0000 Minimization converged after 812 steps. Maximum force component: 1.0611626509851985e-08 eV/Angstrom Maximum stress component: 2.1927173419456508e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[0.00000000e+00 0.00000000e+00 8.14618577e-02] [0.00000000e+00 0.00000000e+00 9.76908212e-01] [0.00000000e+00 0.00000000e+00 8.75121567e-01] [0.00000000e+00 0.00000000e+00 7.73384702e-01] [0.00000000e+00 0.00000000e+00 6.68669585e-01] [0.00000000e+00 0.00000000e+00 5.62009804e-01] [0.00000000e+00 0.00000000e+00 3.88812129e-01] [0.00000000e+00 0.00000000e+00 2.86379829e-01] [0.00000000e+00 0.00000000e+00 1.82975072e-01] [3.33333333e-01 6.66666667e-01 6.83245026e-01] [3.33333333e-01 6.66666667e-01 8.48054962e-01] [3.33333333e-01 6.66666667e-01 1.08707690e-01] [3.33333333e-01 6.66666667e-01 9.57788993e-01] [3.33333333e-01 6.66666667e-01 5.80914778e-01] [3.33333333e-01 6.66666667e-01 2.68305526e-01] [3.33333333e-01 6.66666667e-01 4.78976893e-01] [3.33333333e-01 6.66666667e-01 3.74302223e-01] [6.66666667e-01 3.33333333e-01 8.62264645e-01] [6.66666667e-01 3.33333333e-01 9.50273599e-02] [6.66666667e-01 3.33333333e-01 2.00945071e-01] [6.66666667e-01 3.33333333e-01 3.59451899e-01] [6.66666667e-01 3.33333333e-01 4.61885659e-01] [6.66666667e-01 3.33333333e-01 6.53837976e-01] [6.66666667e-01 3.33333333e-01 7.56044770e-01] [0.00000000e+00 0.00000000e+00 8.25227421e-01] [0.00000000e+00 0.00000000e+00 2.35798957e-01] [0.00000000e+00 0.00000000e+00 3.38342061e-01] [3.01745276e-30 1.72189261e-29 1.31490632e-01] [0.00000000e+00 0.00000000e+00 5.02722873e-01] [0.00000000e+00 0.00000000e+00 2.91998799e-02] [0.00000000e+00 0.00000000e+00 6.15818498e-01] [0.00000000e+00 0.00000000e+00 9.26472035e-01] [0.00000000e+00 5.16567782e-29 7.22369592e-01] [3.33333333e-01 6.66666667e-01 6.32795094e-01] [3.33333333e-01 6.66666667e-01 9.00588240e-01] [3.33333333e-01 6.66666667e-01 5.30478683e-01] [3.33333333e-01 6.66666667e-01 4.27943184e-01] [3.33333333e-01 6.66666667e-01 7.91805572e-01] [3.33333333e-01 6.66666667e-01 2.16114543e-01] [3.33333333e-01 6.66666667e-01 5.62864962e-02] [3.33333333e-01 6.66666667e-01 3.21619219e-01] [6.66666667e-01 3.33333333e-01 7.04364854e-01] [6.66666667e-01 3.33333333e-01 5.98687373e-01] [6.66666667e-01 3.33333333e-01 1.55071770e-05] [6.66666667e-01 3.33333333e-01 1.49603420e-01] [6.66666667e-01 3.33333333e-01 8.09342019e-01] [6.66666667e-01 3.33333333e-01 4.10029036e-01] [6.66666667e-01 3.33333333e-01 3.04234547e-01]] cellpar = Cell([[3.3856629002045118, 1.961921202779371e-17, 3.3251175308344105e-15], [-1.6928314501022559, 2.932070080227613, 1.633419797853969e-14], [4.763386613665292e-14, 4.544581945019397e-13, 41.379845580996204]]) forces = [[-2.85731508e-24 -2.72606521e-23 -2.48216797e-09] [ 1.01164909e-24 9.65179303e-24 8.78826061e-10] [ 8.37435186e-24 7.98967864e-23 7.27485327e-09] [-2.11895909e-24 -2.02162537e-23 -1.84075338e-09] [-3.70173736e-24 -3.53169921e-23 -3.21572303e-09] [-1.31469739e-24 -1.25442577e-23 -1.14218506e-09] [ 3.28855643e-24 3.13749762e-23 2.85679010e-09] [ 1.67011497e-24 1.59339877e-23 1.45083961e-09] [-1.35251147e-24 -1.29038428e-23 -1.17493540e-09] [-1.59766184e-24 -1.52403657e-23 -1.38770112e-09] [-1.60750946e-24 -1.53366902e-23 -1.39645380e-09] [ 1.80772393e-24 1.72468670e-23 1.57038140e-09] [ 2.14674339e-24 2.04813341e-23 1.86488978e-09] [ 2.08428301e-24 1.98854213e-23 1.81063004e-09] [ 7.39248453e-25 7.05291307e-24 6.42189881e-10] [-2.67481882e-24 -2.55195186e-23 -2.32363230e-09] [ 7.06631012e-25 6.74172139e-24 6.13854901e-10] [-4.74344119e-25 -4.52555271e-24 -4.12065784e-10] [-9.53829376e-25 -9.09778344e-24 -8.28399721e-10] [ 3.60642455e-25 3.44076457e-24 3.13292418e-10] [-7.02259785e-24 -6.70001702e-23 -6.10057588e-09] [ 2.70189356e-24 2.57778293e-23 2.34715230e-09] [ 1.71917334e-24 1.64008506e-23 1.49335793e-09] [ 4.14219700e-24 3.95191629e-23 3.59834387e-09] [-2.50951388e-24 -2.39424015e-23 -2.18003083e-09] [ 8.10900234e-25 7.73651787e-24 7.04434244e-10] [ 1.44639364e-24 1.37995401e-23 1.25649145e-09] [-9.68774793e-25 -9.24274427e-24 -8.41580888e-10] [-1.47856866e-24 -1.41065108e-23 -1.28444210e-09] [ 8.23378145e-24 7.85555046e-23 7.15272648e-09] [ 5.03021111e-25 4.79914994e-24 4.36977671e-10] [-1.22154346e-23 -1.16543224e-22 -1.06116265e-08] [-5.69251734e-25 -5.43088511e-24 -4.94500265e-10] [ 3.73242319e-25 3.55978961e-24 3.24139007e-10] [ 1.40906637e-25 1.34434135e-24 1.22406501e-10] [ 1.36900373e-25 1.30626721e-24 1.18938608e-10] [ 1.73876430e-25 1.65889471e-24 1.51047572e-10] [ 2.28774450e-24 2.18265767e-23 1.98737834e-09] [-2.30096074e-24 -2.19526683e-23 -1.99885938e-09] [-2.28004358e-24 -2.17531049e-23 -1.98068850e-09] [ 7.87638696e-26 7.51458760e-25 6.84226796e-11] [ 1.87787872e-24 1.79161895e-23 1.63132531e-09] [ 2.39671113e-24 2.28661896e-23 2.08203836e-09] [ 6.17068222e-25 5.88723387e-24 5.36051130e-10] [ 1.58287006e-24 1.51016142e-23 1.37504939e-09] [-2.37349433e-24 -2.26446862e-23 -2.06186978e-09] [-2.89790959e-24 -2.76479502e-23 -2.51743268e-09] [ 1.85655153e-24 1.77127141e-23 1.61279824e-09]] stress = [ 2.19271734e-11 2.19271734e-11 -1.02946484e-11 -1.73226193e-25 -2.27578765e-26 -6.06219362e-27] energy per atom = -9.773339889863216 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.07291606] [0. 0. 0.7812496 ] [0. 0. 0.69790364] [0. 0. 0.90623607] [0. 0. 0.98956427] [0. 0. 0.57291698] [0. 0. 0.44791571] [0. 0. 0.32293364] [0. 0. 0.19791794] [0.33333333 0.66666667 0.73959735] [0.33333333 0.66666667 0.2812349 ] [0.33333333 0.66666667 0.36457788] [0.33333333 0.66666667 0.4895782 ] [0.33333333 0.66666667 0.15624984] [0.33333333 0.66666667 0.6145802 ] [0.33333333 0.66666667 0.03126623] [0.33333333 0.66666667 0.86458192] [0.66666667 0.33333333 0.11457949] [0.66666667 0.33333333 0.23958047] [0.66666667 0.33333333 0.82291893] [0.66666667 0.33333333 0.40624794] [0.66666667 0.33333333 0.5312483 ] [0.66666667 0.33333333 0.94793601] [0.66666667 0.33333333 0.65625064] [0. 0. 0.41667189] [0. 0. 0.29167061] [0. 0. 0.54167149] [0. 0. 0.16666908] [0. 0. 0.04166916] [0. 0. 0.66666819] [0. 0. 0.75000033] [0. 0. 0.87499746] [0. 0. 0.95833282] [0.33333333 0.66666667 0. ] [0.33333333 0.66666667 0.83332895] [0.33333333 0.66666667 0.12500002] [0.33333333 0.66666667 0.7083312 ] [0.33333333 0.66666667 0.249998 ] [0.33333333 0.66666667 0.33333308] [0.33333333 0.66666667 0.58333162] [0.33333333 0.66666667 0.45833309] [0.66666667 0.33333333 0.50000232] [0.66666667 0.33333333 0.37500146] [0.66666667 0.33333333 0.62500063] [0.66666667 0.33333333 0.2083327 ] [0.66666667 0.33333333 0.08333332] [0.66666667 0.33333333 0.79166967] [0.66666667 0.33333333 0.91667016]] spacegroup = 156 cell = [[3.7986, 0, 0], [-1.8993, 3.2896840988156, 0], [0, 0, 74.4833]] ========================================= Step Time Energy fmax BFGS: 0 16:38:15 -139.395818 3.2285 BFGS: 1 16:38:15 -139.837971 3.2174 BFGS: 2 16:38:15 -140.315738 3.2051 BFGS: 3 16:38:15 -140.791764 3.1924 BFGS: 4 16:38:15 -141.265945 3.1792 BFGS: 5 16:38:15 -141.738178 3.1655 BFGS: 6 16:38:15 -142.208361 3.1513 BFGS: 7 16:38:16 -142.676391 3.1365 BFGS: 8 16:38:16 -143.142168 3.1211 BFGS: 9 16:38:16 -143.605590 3.1050 BFGS: 10 16:38:16 -144.066555 3.0883 BFGS: 11 16:38:16 -144.524957 3.0710 BFGS: 12 16:38:16 -144.980693 3.0529 BFGS: 13 16:38:16 -145.433656 3.0342 BFGS: 14 16:38:16 -145.883736 3.0147 BFGS: 15 16:38:16 -146.331898 3.0097 BFGS: 16 16:38:16 -146.780111 2.9954 BFGS: 17 16:38:16 -147.224742 2.9738 BFGS: 18 16:38:16 -147.666075 2.9522 BFGS: 19 16:38:16 -148.104055 2.9303 BFGS: 20 16:38:16 -148.538411 2.9065 BFGS: 21 16:38:16 -148.969075 2.8818 BFGS: 22 16:38:16 -149.395926 2.8562 BFGS: 23 16:38:16 -149.818839 2.8297 BFGS: 24 16:38:16 -150.237685 2.8023 BFGS: 25 16:38:16 -150.652330 2.7739 BFGS: 26 16:38:16 -151.062637 2.7447 BFGS: 27 16:38:16 -151.468466 2.7145 BFGS: 28 16:38:16 -151.869673 2.6833 BFGS: 29 16:38:16 -152.266113 2.6512 BFGS: 30 16:38:16 -152.657636 2.6180 BFGS: 31 16:38:16 -153.044090 2.5838 BFGS: 32 16:38:16 -153.425319 2.5486 BFGS: 33 16:38:16 -153.801164 2.5123 BFGS: 34 16:38:16 -154.171464 2.4749 BFGS: 35 16:38:16 -154.536054 2.4364 BFGS: 36 16:38:16 -154.894765 2.3968 BFGS: 37 16:38:17 -155.247438 2.3562 BFGS: 38 16:38:17 -155.593894 2.3143 BFGS: 39 16:38:17 -155.933947 2.2711 BFGS: 40 16:38:17 -156.267414 2.2267 BFGS: 41 16:38:17 -156.594110 2.1811 BFGS: 42 16:38:17 -156.913844 2.1342 BFGS: 43 16:38:17 -157.226424 2.0860 BFGS: 44 16:38:17 -157.531653 2.0364 BFGS: 45 16:38:17 -157.829332 1.9855 BFGS: 46 16:38:17 -158.119254 1.9333 BFGS: 47 16:38:17 -158.401213 1.8796 BFGS: 48 16:38:17 -158.674995 1.8245 BFGS: 49 16:38:17 -158.940395 1.7682 BFGS: 50 16:38:17 -159.197287 1.7109 BFGS: 51 16:38:17 -159.445400 1.6516 BFGS: 52 16:38:17 -159.684438 1.5905 BFGS: 53 16:38:17 -159.914176 1.5279 BFGS: 54 16:38:17 -160.134379 1.4636 BFGS: 55 16:38:17 -160.344807 1.3977 BFGS: 56 16:38:17 -160.545216 1.3302 BFGS: 57 16:38:17 -160.735355 1.2610 BFGS: 58 16:38:17 -160.914971 1.1901 BFGS: 59 16:38:17 -161.083806 1.1174 BFGS: 60 16:38:17 -161.241600 1.0429 BFGS: 61 16:38:17 -161.388085 0.9666 BFGS: 62 16:38:17 -161.522994 0.8886 BFGS: 63 16:38:17 -161.646053 0.8086 BFGS: 64 16:38:17 -161.757034 0.7272 BFGS: 65 16:38:18 -161.855675 0.6436 BFGS: 66 16:38:18 -161.941633 0.5580 BFGS: 67 16:38:18 -162.014626 0.4704 BFGS: 68 16:38:18 -162.074375 0.3808 BFGS: 69 16:38:18 -162.120605 0.2893 BFGS: 70 16:38:18 -162.153051 0.1960 BFGS: 71 16:38:18 -162.171479 0.1009 BFGS: 72 16:38:18 -162.176027 0.0225 BFGS: 73 16:38:18 -162.176045 0.0242 BFGS: 74 16:38:18 -162.176193 0.0339 BFGS: 75 16:38:18 -162.176502 0.0491 BFGS: 76 16:38:18 -162.177592 0.0913 BFGS: 77 16:38:18 -162.179780 0.1551 BFGS: 78 16:38:18 -162.181761 0.2228 BFGS: 79 16:38:18 -162.183791 0.2909 BFGS: 80 16:38:18 -162.186147 0.3607 BFGS: 81 16:38:18 -162.189149 0.4298 BFGS: 82 16:38:18 -162.193094 0.5009 BFGS: 83 16:38:18 -162.198383 0.5706 BFGS: 84 16:38:18 -162.205320 0.6396 BFGS: 85 16:38:18 -162.214232 0.7072 BFGS: 86 16:38:18 -162.225437 0.7739 BFGS: 87 16:38:18 -162.239254 0.8393 BFGS: 88 16:38:18 -162.256018 0.9038 BFGS: 89 16:38:18 -162.276046 0.9670 BFGS: 90 16:38:18 -162.299653 1.0287 BFGS: 91 16:38:18 -162.327167 1.0891 BFGS: 92 16:38:18 -162.358913 1.1485 BFGS: 93 16:38:19 -162.395245 1.2068 BFGS: 94 16:38:19 -162.436538 1.2644 BFGS: 95 16:38:19 -162.483202 1.3211 BFGS: 96 16:38:19 -162.535691 1.3772 BFGS: 97 16:38:19 -162.594532 1.4329 BFGS: 98 16:38:19 -162.660337 1.4885 BFGS: 99 16:38:19 -162.733838 1.5437 BFGS: 100 16:38:19 -162.815972 1.5990 BFGS: 101 16:38:19 -162.907866 1.6547 BFGS: 102 16:38:19 -163.010984 1.7116 BFGS: 103 16:38:19 -163.127299 1.7690 BFGS: 104 16:38:19 -163.259341 1.8283 BFGS: 105 16:38:19 -163.410699 1.8892 BFGS: 106 16:38:19 -163.586430 1.9543 BFGS: 107 16:38:19 -163.793524 2.0209 BFGS: 108 16:38:19 -164.041854 2.0932 BFGS: 109 16:38:19 -164.344964 2.1688 BFGS: 110 16:38:19 -164.721167 2.2499 BFGS: 111 16:38:19 -165.194424 2.3425 BFGS: 112 16:38:19 -165.793651 2.8572 BFGS: 113 16:38:19 -166.550147 3.4492 BFGS: 114 16:38:19 -167.493242 4.0959 BFGS: 115 16:38:19 -168.579917 4.7274 BFGS: 116 16:38:19 -169.767740 5.3427 BFGS: 117 16:38:19 -171.054511 5.9280 BFGS: 118 16:38:19 -172.436853 6.4332 BFGS: 119 16:38:19 -173.910560 6.8537 BFGS: 120 16:38:20 -175.475534 7.1832 BFGS: 121 16:38:20 -177.102883 7.4235 BFGS: 122 16:38:20 -178.800401 7.5838 BFGS: 123 16:38:20 -180.579762 7.6626 BFGS: 124 16:38:20 -182.367474 7.6805 BFGS: 125 16:38:20 -183.988420 7.6277 BFGS: 126 16:38:20 -185.448854 7.5508 BFGS: 127 16:38:20 -186.784690 7.4686 BFGS: 128 16:38:20 -188.049044 7.5545 BFGS: 129 16:38:20 -189.312681 7.6297 BFGS: 130 16:38:20 -191.106195 7.5602 BFGS: 131 16:38:20 -192.595408 7.4547 BFGS: 132 16:38:20 -194.258196 7.2421 BFGS: 133 16:38:20 -195.803689 6.9571 BFGS: 134 16:38:20 -197.369040 6.5885 BFGS: 135 16:38:20 -198.945504 6.1503 BFGS: 136 16:38:20 -200.395452 5.7215 BFGS: 137 16:38:20 -201.723044 5.4405 BFGS: 138 16:38:20 -202.959727 5.9750 BFGS: 139 16:38:20 -204.139361 6.4320 BFGS: 140 16:38:20 -205.302018 6.8086 BFGS: 141 16:38:20 -206.449677 7.0921 BFGS: 142 16:38:20 -207.586585 7.2905 BFGS: 143 16:38:20 -208.729001 7.4159 BFGS: 144 16:38:20 -209.881655 7.4768 BFGS: 145 16:38:20 -211.033324 7.4539 BFGS: 146 16:38:20 -212.170058 7.3477 BFGS: 147 16:38:21 -213.282879 7.1496 BFGS: 148 16:38:21 -214.371938 6.8554 BFGS: 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16:38:34 -425.095803 3.2838 BFGS: 463 16:38:34 -425.622030 3.2088 BFGS: 464 16:38:34 -426.109664 3.3059 BFGS: 465 16:38:34 -426.526882 3.7354 BFGS: 466 16:38:34 -426.892938 4.0515 BFGS: 467 16:38:34 -427.230269 4.2386 BFGS: 468 16:38:34 -427.552076 4.3116 BFGS: 469 16:38:34 -427.864209 4.2731 BFGS: 470 16:38:34 -428.170901 4.1345 BFGS: 471 16:38:34 -428.474882 3.9077 BFGS: 472 16:38:34 -428.778422 3.6066 BFGS: 473 16:38:34 -429.081465 3.2448 BFGS: 474 16:38:34 -429.382765 3.0225 BFGS: 475 16:38:34 -429.679820 2.8578 BFGS: 476 16:38:34 -429.968541 2.6468 BFGS: 477 16:38:34 -430.244099 2.3814 BFGS: 478 16:38:34 -430.501882 2.3771 BFGS: 479 16:38:34 -430.736958 2.3911 BFGS: 480 16:38:35 -430.948418 2.3588 BFGS: 481 16:38:35 -431.141451 2.4855 BFGS: 482 16:38:35 -431.279221 2.4188 BFGS: 483 16:38:35 -431.461683 2.1474 BFGS: 484 16:38:35 -431.599029 1.7621 BFGS: 485 16:38:35 -431.701103 1.8817 BFGS: 486 16:38:35 -431.803045 1.7092 BFGS: 487 16:38:35 -431.923088 1.6559 BFGS: 488 16:38:35 -432.031532 1.5137 BFGS: 489 16:38:35 -432.088578 1.7423 BFGS: 490 16:38:35 -432.158665 1.7150 BFGS: 491 16:38:35 -432.221793 1.4516 BFGS: 492 16:38:35 -432.285270 1.5153 BFGS: 493 16:38:35 -432.331375 1.4365 BFGS: 494 16:38:35 -432.376154 1.2467 BFGS: 495 16:38:35 -432.415905 1.2179 BFGS: 496 16:38:35 -432.451512 1.0810 BFGS: 497 16:38:35 -432.475542 0.9714 BFGS: 498 16:38:35 -432.499489 0.8786 BFGS: 499 16:38:35 -432.517105 0.8890 BFGS: 500 16:38:35 -432.542207 0.8522 BFGS: 501 16:38:35 -432.558349 0.7723 BFGS: 502 16:38:35 -432.575879 0.7190 BFGS: 503 16:38:36 -432.589725 0.6575 BFGS: 504 16:38:36 -432.603095 0.6281 BFGS: 505 16:38:36 -432.615311 0.5955 BFGS: 506 16:38:36 -432.625559 0.5531 BFGS: 507 16:38:36 -432.634729 0.5616 BFGS: 508 16:38:36 -432.643609 0.5651 BFGS: 509 16:38:36 -432.653052 0.5609 BFGS: 510 16:38:36 -432.662535 0.4647 BFGS: 511 16:38:36 -432.671799 0.3944 BFGS: 512 16:38:36 -432.680006 0.3534 BFGS: 513 16:38:36 -432.687466 0.3342 BFGS: 514 16:38:36 -432.695220 0.2933 BFGS: 515 16:38:36 -432.701206 0.2869 BFGS: 516 16:38:36 -432.706331 0.3001 BFGS: 517 16:38:36 -432.709076 0.2676 BFGS: 518 16:38:36 -432.711832 0.2614 BFGS: 519 16:38:36 -432.713851 0.2356 BFGS: 520 16:38:36 -432.716650 0.1777 BFGS: 521 16:38:36 -432.718170 0.1412 BFGS: 522 16:38:36 -432.719457 0.1706 BFGS: 523 16:38:36 -432.720440 0.2048 BFGS: 524 16:38:36 -432.721825 0.2354 BFGS: 525 16:38:37 -432.723238 0.2344 BFGS: 526 16:38:37 -432.725056 0.2079 BFGS: 527 16:38:37 -432.727004 0.2249 BFGS: 528 16:38:37 -432.729481 0.2110 BFGS: 529 16:38:37 -432.731918 0.1722 BFGS: 530 16:38:37 -432.733843 0.1722 BFGS: 531 16:38:37 -432.735126 0.1681 BFGS: 532 16:38:37 -432.736267 0.1634 BFGS: 533 16:38:37 -432.737402 0.1588 BFGS: 534 16:38:37 -432.738817 0.1564 BFGS: 535 16:38:37 -432.739738 0.1608 BFGS: 536 16:38:37 -432.740391 0.1672 BFGS: 537 16:38:37 -432.740865 0.1698 BFGS: 538 16:38:37 -432.741325 0.1663 BFGS: 539 16:38:37 -432.741688 0.1552 BFGS: 540 16:38:37 -432.741992 0.1391 BFGS: 541 16:38:37 -432.742280 0.1568 BFGS: 542 16:38:37 -432.742665 0.1846 BFGS: 543 16:38:37 -432.743144 0.2057 BFGS: 544 16:38:37 -432.743658 0.2065 BFGS: 545 16:38:37 -432.744131 0.1839 BFGS: 546 16:38:37 -432.744680 0.1437 BFGS: 547 16:38:37 -432.745453 0.1052 BFGS: 548 16:38:38 -432.746406 0.0984 BFGS: 549 16:38:38 -432.747156 0.1057 BFGS: 550 16:38:38 -432.747542 0.1012 BFGS: 551 16:38:38 -432.747777 0.0910 BFGS: 552 16:38:38 -432.748057 0.1054 BFGS: 553 16:38:38 -432.748457 0.1305 BFGS: 554 16:38:38 -432.748940 0.1576 BFGS: 555 16:38:38 -432.749394 0.1759 BFGS: 556 16:38:38 -432.749819 0.1835 BFGS: 557 16:38:38 -432.750286 0.1861 BFGS: 558 16:38:38 -432.750775 0.1874 BFGS: 559 16:38:38 -432.751146 0.1891 BFGS: 560 16:38:38 -432.751357 0.1909 BFGS: 561 16:38:38 -432.751487 0.1923 BFGS: 562 16:38:38 -432.751601 0.1917 BFGS: 563 16:38:38 -432.751707 0.1868 BFGS: 564 16:38:38 -432.751790 0.1784 BFGS: 565 16:38:38 -432.751843 0.1705 BFGS: 566 16:38:38 -432.751884 0.1645 BFGS: 567 16:38:38 -432.751926 0.1596 BFGS: 568 16:38:38 -432.751981 0.1552 BFGS: 569 16:38:38 -432.752061 0.1510 BFGS: 570 16:38:38 -432.752169 0.1473 BFGS: 571 16:38:39 -432.752297 0.1443 BFGS: 572 16:38:39 -432.752414 0.1431 BFGS: 573 16:38:39 -432.752494 0.1402 BFGS: 574 16:38:39 -432.752541 0.1388 BFGS: 575 16:38:39 -432.752573 0.1382 BFGS: 576 16:38:39 -432.752607 0.1387 BFGS: 577 16:38:39 -432.752663 0.1403 BFGS: 578 16:38:39 -432.752759 0.1435 BFGS: 579 16:38:39 -432.752902 0.1472 BFGS: 580 16:38:39 -432.753058 0.1478 BFGS: 581 16:38:39 -432.753165 0.1437 BFGS: 582 16:38:39 -432.753219 0.1390 BFGS: 583 16:38:39 -432.753250 0.1357 BFGS: 584 16:38:39 -432.753276 0.1334 BFGS: 585 16:38:39 -432.753295 0.1328 BFGS: 586 16:38:39 -432.753310 0.1341 BFGS: 587 16:38:39 -432.753321 0.1367 BFGS: 588 16:38:39 -432.753331 0.1401 BFGS: 589 16:38:39 -432.753337 0.1424 BFGS: 590 16:38:39 -432.753342 0.1435 BFGS: 591 16:38:39 -432.753345 0.1442 BFGS: 592 16:38:39 -432.753348 0.1448 BFGS: 593 16:38:39 -432.753353 0.1462 BFGS: 594 16:38:40 -432.753363 0.1481 BFGS: 595 16:38:40 -432.753382 0.1522 BFGS: 596 16:38:40 -432.753405 0.1561 BFGS: 597 16:38:40 -432.753427 0.1589 BFGS: 598 16:38:40 -432.753438 0.1588 BFGS: 599 16:38:40 -432.753443 0.1574 BFGS: 600 16:38:40 -432.753445 0.1559 BFGS: 601 16:38:40 -432.753446 0.1548 BFGS: 602 16:38:40 -432.753446 0.1540 BFGS: 603 16:38:40 -432.753446 0.1535 BFGS: 604 16:38:40 -432.753446 0.1531 BFGS: 605 16:38:40 -432.753446 0.1530 BFGS: 606 16:38:40 -432.753447 0.1528 BFGS: 607 16:38:40 -432.753453 0.1512 BFGS: 608 16:38:40 -432.753471 0.1488 BFGS: 609 16:38:40 -432.753509 0.1445 BFGS: 610 16:38:40 -432.753613 0.1350 BFGS: 611 16:38:40 -432.753859 0.1420 BFGS: 612 16:38:40 -432.754399 0.1426 BFGS: 613 16:38:40 -432.755299 0.1168 BFGS: 614 16:38:40 -432.756153 0.0607 BFGS: 615 16:38:40 -432.756549 0.0301 BFGS: 616 16:38:41 -432.756608 0.0328 BFGS: 617 16:38:41 -432.756618 0.0330 BFGS: 618 16:38:41 -432.756623 0.0336 BFGS: 619 16:38:41 -432.756624 0.0337 BFGS: 620 16:38:41 -432.756629 0.0342 BFGS: 621 16:38:41 -432.756634 0.0342 BFGS: 622 16:38:41 -432.756650 0.0382 BFGS: 623 16:38:41 -432.756681 0.0448 BFGS: 624 16:38:41 -432.756746 0.0483 BFGS: 625 16:38:41 -432.756833 0.0392 BFGS: 626 16:38:41 -432.756894 0.0175 BFGS: 627 16:38:41 -432.756912 0.0082 BFGS: 628 16:38:41 -432.756914 0.0085 BFGS: 629 16:38:41 -432.756914 0.0084 BFGS: 630 16:38:41 -432.756914 0.0083 BFGS: 631 16:38:41 -432.756914 0.0083 BFGS: 632 16:38:41 -432.756915 0.0083 BFGS: 633 16:38:41 -432.756916 0.0087 BFGS: 634 16:38:41 -432.756918 0.0087 BFGS: 635 16:38:41 -432.756922 0.0073 BFGS: 636 16:38:41 -432.756926 0.0069 BFGS: 637 16:38:41 -432.756927 0.0075 BFGS: 638 16:38:41 -432.756927 0.0075 BFGS: 639 16:38:42 -432.756927 0.0074 BFGS: 640 16:38:42 -432.756927 0.0074 BFGS: 641 16:38:42 -432.756927 0.0074 BFGS: 642 16:38:42 -432.756927 0.0074 BFGS: 643 16:38:42 -432.756928 0.0073 BFGS: 644 16:38:42 -432.756928 0.0073 BFGS: 645 16:38:42 -432.756928 0.0073 BFGS: 646 16:38:42 -432.756928 0.0072 BFGS: 647 16:38:42 -432.756928 0.0072 BFGS: 648 16:38:42 -432.756929 0.0071 BFGS: 649 16:38:42 -432.756931 0.0069 BFGS: 650 16:38:42 -432.756937 0.0094 BFGS: 651 16:38:42 -432.756953 0.0143 BFGS: 652 16:38:42 -432.756994 0.0223 BFGS: 653 16:38:42 -432.757103 0.0354 BFGS: 654 16:38:42 -432.757501 0.0554 BFGS: 655 16:38:42 -432.758865 0.0602 BFGS: 656 16:38:42 -432.760113 0.0547 BFGS: 657 16:38:42 -432.761489 0.0493 BFGS: 658 16:38:42 -432.762937 0.0408 BFGS: 659 16:38:42 -432.764621 0.0348 BFGS: 660 16:38:42 -432.766825 0.0348 BFGS: 661 16:38:42 -432.769188 0.0375 BFGS: 662 16:38:43 -432.771714 0.0389 BFGS: 663 16:38:43 -432.774543 0.0393 BFGS: 664 16:38:43 -432.777568 0.0381 BFGS: 665 16:38:43 -432.780800 0.0370 BFGS: 666 16:38:43 -432.784259 0.0356 BFGS: 667 16:38:43 -432.787950 0.0338 BFGS: 668 16:38:43 -432.791986 0.0333 BFGS: 669 16:38:43 -432.796509 0.0293 BFGS: 670 16:38:43 -432.801434 0.0268 BFGS: 671 16:38:43 -432.806832 0.0240 BFGS: 672 16:38:43 -432.812629 0.0220 BFGS: 673 16:38:43 -432.818797 0.0201 BFGS: 674 16:38:43 -432.825443 0.0184 BFGS: 675 16:38:43 -432.832587 0.0164 BFGS: 676 16:38:43 -432.840193 0.0148 BFGS: 677 16:38:43 -432.848293 0.0135 BFGS: 678 16:38:43 -432.856922 0.0148 BFGS: 679 16:38:43 -432.866129 0.0157 BFGS: 680 16:38:43 -432.876198 0.0182 BFGS: 681 16:38:43 -432.887327 0.0203 BFGS: 682 16:38:43 -432.899311 0.0234 BFGS: 683 16:38:43 -432.913006 0.0270 BFGS: 684 16:38:43 -432.927763 0.0261 BFGS: 685 16:38:44 -432.943603 0.0277 BFGS: 686 16:38:44 -432.960799 0.0313 BFGS: 687 16:38:44 -432.979266 0.0346 BFGS: 688 16:38:44 -432.999058 0.0365 BFGS: 689 16:38:44 -433.020347 0.0390 BFGS: 690 16:38:44 -433.043031 0.0426 BFGS: 691 16:38:44 -433.067301 0.0458 BFGS: 692 16:38:44 -433.093226 0.0495 BFGS: 693 16:38:44 -433.120953 0.0535 BFGS: 694 16:38:44 -433.150677 0.0587 BFGS: 695 16:38:44 -433.182554 0.0635 BFGS: 696 16:38:44 -433.217165 0.0686 BFGS: 697 16:38:44 -433.253679 0.0774 BFGS: 698 16:38:44 -433.293049 0.0845 BFGS: 699 16:38:44 -433.336156 0.0905 BFGS: 700 16:38:44 -433.382611 0.0991 BFGS: 701 16:38:44 -433.433038 0.1086 BFGS: 702 16:38:44 -433.487857 0.1181 BFGS: 703 16:38:44 -433.546034 0.1286 BFGS: 704 16:38:44 -433.608744 0.1378 BFGS: 705 16:38:44 -433.675487 0.1480 BFGS: 706 16:38:44 -433.746962 0.1591 BFGS: 707 16:38:45 -433.823107 0.1703 BFGS: 708 16:38:45 -433.904753 0.1819 BFGS: 709 16:38:45 -433.991371 0.1947 BFGS: 710 16:38:45 -434.083723 0.2070 BFGS: 711 16:38:45 -434.182011 0.2193 BFGS: 712 16:38:45 -434.287196 0.2320 BFGS: 713 16:38:45 -434.398846 0.2442 BFGS: 714 16:38:45 -434.518064 0.2540 BFGS: 715 16:38:45 -434.644748 0.2630 BFGS: 716 16:38:45 -434.778949 0.2692 BFGS: 717 16:38:45 -434.921108 0.2695 BFGS: 718 16:38:45 -435.070769 0.2657 BFGS: 719 16:38:45 -435.229537 0.2725 BFGS: 720 16:38:45 -435.397074 0.2891 BFGS: 721 16:38:45 -435.572369 0.3020 BFGS: 722 16:38:45 -435.751970 0.3131 BFGS: 723 16:38:45 -435.932962 0.3269 BFGS: 724 16:38:45 -436.118936 0.3276 BFGS: 725 16:38:45 -436.307955 0.3278 BFGS: 726 16:38:45 -436.501076 0.3227 BFGS: 727 16:38:45 -436.698122 0.3359 BFGS: 728 16:38:45 -436.898865 0.3499 BFGS: 729 16:38:46 -437.091707 0.3570 BFGS: 730 16:38:46 -437.221212 0.3610 BFGS: 731 16:38:46 -437.445576 0.3759 BFGS: 732 16:38:46 -437.656019 0.3762 BFGS: 733 16:38:46 -437.871273 0.3742 BFGS: 734 16:38:46 -438.079050 0.3671 BFGS: 735 16:38:46 -438.281548 0.3524 BFGS: 736 16:38:46 -438.454467 0.3304 BFGS: 737 16:38:46 -438.584839 0.3018 BFGS: 738 16:38:46 -438.690176 0.2730 BFGS: 739 16:38:46 -438.760546 0.3223 BFGS: 740 16:38:46 -438.822944 0.1922 BFGS: 741 16:38:46 -438.860000 0.1400 BFGS: 742 16:38:46 -438.880770 0.0793 BFGS: 743 16:38:46 -438.885017 0.0471 BFGS: 744 16:38:46 -438.885112 0.0145 BFGS: 745 16:38:46 -438.885141 0.0079 BFGS: 746 16:38:46 -438.885148 0.0022 BFGS: 747 16:38:46 -438.885149 0.0009 BFGS: 748 16:38:46 -438.885149 0.0002 BFGS: 749 16:38:46 -438.885149 0.0001 BFGS: 750 16:38:46 -438.885149 0.0000 BFGS: 751 16:38:47 -438.885149 0.0000 BFGS: 752 16:38:47 -438.885149 0.0000 BFGS: 753 16:38:47 -438.885149 0.0000 BFGS: 754 16:38:47 -438.885149 0.0000 BFGS: 755 16:38:47 -438.885149 0.0000 BFGS: 756 16:38:47 -438.885149 0.0000 BFGS: 757 16:38:47 -438.885149 0.0000 BFGS: 758 16:38:47 -438.885149 0.0000 BFGS: 759 16:38:47 -438.885149 0.0000 Minimization converged after 759 steps. Maximum force component: 8.67048666419951e-09 eV/Angstrom Maximum stress component: 8.640669242869428e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[2.41674876e-30 4.28292478e-30 1.06440994e-01] [2.59293688e-29 5.13950974e-29 8.25128433e-01] [1.87544399e-29 3.42633983e-29 6.91765154e-01] [0.00000000e+00 0.00000000e+00 9.17725673e-01] [4.50315388e-29 8.56584956e-29 1.09767350e-02] [0.00000000e+00 0.00000000e+00 5.96854997e-01] [3.92707609e-29 7.70926461e-29 3.88854092e-01] [1.40078749e-29 2.56975487e-29 2.95252457e-01] [4.33218655e-29 8.56584956e-29 2.00595005e-01] [3.33333333e-01 6.66666667e-01 7.60730386e-01] [3.33333333e-01 6.66666667e-01 2.17481355e-01] [3.33333333e-01 6.66666667e-01 3.63032447e-01] [3.33333333e-01 6.66666667e-01 4.57867316e-01] [3.33333333e-01 6.66666667e-01 1.21877417e-01] [3.33333333e-01 6.66666667e-01 6.66230556e-01] [3.33333333e-01 6.66666667e-01 2.33603827e-02] [3.33333333e-01 6.66666667e-01 9.05853494e-01] [6.66666667e-01 3.33333333e-01 1.29917084e-01] [6.66666667e-01 3.33333333e-01 2.78903310e-01] [6.66666667e-01 3.33333333e-01 8.93888820e-01] [6.66666667e-01 3.33333333e-01 3.76258190e-01] [6.66666667e-01 3.33333333e-01 5.27491543e-01] [6.66666667e-01 3.33333333e-01 9.97521353e-01] [6.66666667e-01 3.33333333e-01 6.79220133e-01] [0.00000000e+00 0.00000000e+00 3.42801149e-01] [7.35166759e-30 1.28487743e-29 2.48851637e-01] [3.63497792e-29 6.85267965e-29 5.48838005e-01] [2.64074978e-29 5.13950974e-29 1.52659920e-01] [0.00000000e+00 0.00000000e+00 5.83960210e-02] [0.00000000e+00 0.00000000e+00 6.45518933e-01] [6.17575528e-29 1.19921894e-28 7.77584842e-01] [4.57269991e-29 8.56584956e-29 8.71984902e-01] [0.00000000e+00 0.00000000e+00 9.64091541e-01] [3.33333333e-01 6.66666667e-01 9.76241277e-01] [3.33333333e-01 6.66666667e-01 8.51318344e-01] [3.33333333e-01 6.66666667e-01 7.54385892e-02] [3.33333333e-01 6.66666667e-01 7.13412492e-01] [3.33333333e-01 6.66666667e-01 1.70581686e-01] [3.33333333e-01 6.66666667e-01 3.11714819e-01] [3.33333333e-01 6.66666667e-01 6.15442227e-01] [3.33333333e-01 6.66666667e-01 4.10365278e-01] [6.66666667e-01 3.33333333e-01 4.79265304e-01] [6.66666667e-01 3.33333333e-01 3.27794625e-01] [6.66666667e-01 3.33333333e-01 6.30257053e-01] [6.66666667e-01 3.33333333e-01 2.30825004e-01] [6.66666667e-01 3.33333333e-01 4.44806289e-02] [6.66666667e-01 3.33333333e-01 8.00828957e-01] [6.66666667e-01 3.33333333e-01 9.41984620e-01]] cellpar = Cell([[3.402901179165528, -3.5280054967439753e-17, -7.96613920132188e-17], [-1.701450589582764, 2.946998867725373, -1.823683124637811e-14], [-2.236249958887936e-15, -4.3322527049487804e-13, 45.011784306052455]]) forces = [[ 1.92146372e-25 3.72242215e-23 -3.86756901e-09] [ 1.35292653e-25 2.62100379e-23 -2.72320350e-09] [ 4.79589602e-26 9.30775643e-24 -9.67058684e-10] [ 5.65476998e-26 1.09103233e-23 -1.13359511e-09] [-4.30762205e-25 -8.34509004e-23 8.67048666e-09] [ 1.63926658e-25 3.17572597e-23 -3.29955573e-09] [-1.91997362e-25 -3.71953542e-23 3.86456971e-09] [ 4.20902950e-25 8.15631701e-23 -8.47434258e-09] [-2.26063039e-25 -4.37948454e-23 4.55025195e-09] [ 4.69612068e-26 9.09772247e-24 -9.45246618e-10] [ 2.05708812e-25 3.98739402e-23 -4.14286251e-09] [ 2.19424663e-25 4.25088029e-23 -4.41663310e-09] [-1.65284772e-25 -3.20201918e-23 3.32687418e-09] [ 1.18581288e-25 2.30171466e-23 -2.39144385e-09] [-1.24107884e-25 -2.40432298e-23 2.49807375e-09] [-1.91355124e-25 -3.70709344e-23 3.85164259e-09] [ 1.26381232e-25 2.44836420e-23 -2.54383224e-09] [-2.32620262e-25 -4.50596190e-23 4.68166100e-09] [-6.47207518e-26 -1.25466222e-23 1.30357959e-09] [ 6.25839926e-26 1.21243008e-23 -1.25970586e-09] [ 2.91492002e-26 5.64702978e-24 -5.86722207e-10] [-4.05493740e-26 -7.85487456e-24 8.16115641e-10] [ 1.40012491e-25 2.71132610e-23 -2.81705286e-09] [ 5.20884821e-26 1.00798777e-23 -1.04729697e-09] [ 5.80598252e-26 1.12366968e-23 -1.16748962e-09] [-9.03537490e-26 -1.75089716e-23 1.81916659e-09] [-2.76178121e-25 -5.35009506e-23 5.55871038e-09] [-1.52950496e-25 -2.96308647e-23 3.07862487e-09] [-8.77272795e-26 -1.69869008e-23 1.76493155e-09] [-5.18280720e-26 -1.00405728e-23 1.04320807e-09] [ 1.82274936e-26 3.53955471e-24 -3.67751956e-10] [-3.77266467e-25 -7.30816814e-23 7.59313508e-09] [ 3.70592499e-25 7.17943158e-23 -7.45937616e-09] [ 7.60714451e-26 1.47372042e-23 -1.53118459e-09] [ 8.87019906e-26 1.71841004e-23 -1.78541529e-09] [-4.36147405e-26 -8.44941671e-24 8.77888130e-10] [-1.16320562e-25 -2.25401758e-23 2.34190498e-09] [-1.02365199e-26 -1.98310529e-24 2.06043169e-10] [ 6.50969130e-27 1.28340039e-24 -1.33334043e-10] [ 1.83787689e-25 3.56049068e-23 -3.69932342e-09] [ 1.84647674e-25 3.57715102e-23 -3.71663338e-09] [ 1.90751514e-25 3.69585297e-23 -3.83996125e-09] [-2.56177301e-25 -4.96309277e-23 5.15661529e-09] [-8.80173916e-26 -1.70514741e-23 1.77163551e-09] [-4.62861341e-26 -8.97531204e-24 9.32523112e-10] [ 3.15621642e-25 6.11448961e-23 -6.35290935e-09] [-9.37849290e-26 -1.81688103e-23 1.88772591e-09] [-1.52737879e-25 -2.95875822e-23 3.07412914e-09]] stress = [ 8.64066924e-11 8.64066924e-11 3.30959320e-11 1.06028939e-24 -3.54559594e-26 -5.77777027e-27] energy per atom = -9.14344060121924 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.03127082] [0. 0. 0.90627098] [0. 0. 0.78127105] [0. 0. 0.65624741] [0. 0. 0.5728958 ] [0. 0. 0.48955933] [0. 0. 0.40623138] [0. 0. 0.28127264] [0. 0. 0.15627204] [0.33333333 0.66666667 0.98956063] [0.33333333 0.66666667 0.07291622] [0.33333333 0.66666667 0.82291634] [0.33333333 0.66666667 0.73956085] [0.33333333 0.66666667 0.23956237] [0.33333333 0.66666667 0.61460023] [0.33333333 0.66666667 0.32291762] [0.33333333 0.66666667 0.44793887] [0.66666667 0.33333333 0.86456094] [0.66666667 0.33333333 0.11456132] [0.66666667 0.33333333 0.9479161 ] [0.66666667 0.33333333 0.19791765] [0.66666667 0.33333333 0.69791702] [0.66666667 0.33333333 0.3645818 ] [0.66666667 0.33333333 0.53127073] [0. 0. 0.54167242] [0. 0. 0.45832792] [0. 0. 0.37499583] [0. 0. 0.62500212] [0. 0. 0.25000094] [0. 0. 0.75000059] [0. 0. 0.12500085] [0. 0. 0. ] [0. 0. 0.87500007] [0.33333333 0.66666667 0.95833054] [0.33333333 0.66666667 0.79166901] [0.33333333 0.66666667 0.70833161] [0.33333333 0.66666667 0.58333631] [0.33333333 0.66666667 0.41666921] [0.33333333 0.66666667 0.29166928] [0.33333333 0.66666667 0.20833076] [0.33333333 0.66666667 0.04166946] [0.66666667 0.33333333 0.08333024] [0.66666667 0.33333333 0.66666974] [0.66666667 0.33333333 0.16667014] [0.66666667 0.33333333 0.50000045] [0.66666667 0.33333333 0.83332937] [0.66666667 0.33333333 0.91666953] [0.66666667 0.33333333 0.33333272]] spacegroup = 156 cell = [[3.7978, 0, 0], [-1.8989, 3.2889912784925, 0], [0, 0, 74.4942]] ========================================= Step Time Energy fmax BFGS: 0 16:38:51 -139.477273 3.2432 BFGS: 1 16:38:51 -139.920092 3.2319 BFGS: 2 16:38:51 -140.396416 3.2194 BFGS: 3 16:38:51 -140.871014 3.2066 BFGS: 4 16:38:51 -141.343777 3.1934 BFGS: 5 16:38:51 -141.814597 3.1797 BFGS: 6 16:38:51 -142.283369 3.1655 BFGS: 7 16:38:51 -142.749989 3.1508 BFGS: 8 16:38:51 -143.214355 3.1355 BFGS: 9 16:38:51 -143.676363 3.1195 BFGS: 10 16:38:51 -144.135909 3.1030 BFGS: 11 16:38:51 -144.592890 3.0858 BFGS: 12 16:38:51 -145.047200 3.0679 BFGS: 13 16:38:51 -145.498733 3.0493 BFGS: 14 16:38:51 -145.947380 3.0301 BFGS: 15 16:38:51 -146.394220 3.0166 BFGS: 16 16:38:51 -146.840864 3.0067 BFGS: 17 16:38:51 -147.283976 2.9853 BFGS: 18 16:38:51 -147.723775 2.9634 BFGS: 19 16:38:51 -148.160315 2.9441 BFGS: 20 16:38:51 -148.593148 2.9207 BFGS: 21 16:38:51 -149.022265 2.8963 BFGS: 22 16:38:52 -149.447557 2.8710 BFGS: 23 16:38:52 -149.868907 2.8448 BFGS: 24 16:38:52 -150.286192 2.8177 BFGS: 25 16:38:52 -150.699282 2.7897 BFGS: 26 16:38:52 -151.108043 2.7607 BFGS: 27 16:38:52 -151.512338 2.7308 BFGS: 28 16:38:52 -151.912027 2.7000 BFGS: 29 16:38:52 -152.306966 2.6682 BFGS: 30 16:38:52 -152.697008 2.6354 BFGS: 31 16:38:52 -153.082003 2.6016 BFGS: 32 16:38:52 -153.461800 2.5668 BFGS: 33 16:38:52 -153.836241 2.5309 BFGS: 34 16:38:52 -154.205169 2.4939 BFGS: 35 16:38:52 -154.568421 2.4559 BFGS: 36 16:38:52 -154.925834 2.4167 BFGS: 37 16:38:52 -155.277255 2.3769 BFGS: 38 16:38:52 -155.622522 2.3356 BFGS: 39 16:38:52 -155.961436 2.2930 BFGS: 40 16:38:52 -156.293818 2.2492 BFGS: 41 16:38:52 -156.619488 2.2042 BFGS: 42 16:38:52 -156.938261 2.1579 BFGS: 43 16:38:52 -157.249950 2.1104 BFGS: 44 16:38:52 -157.554362 2.0616 BFGS: 45 16:38:52 -157.851303 2.0114 BFGS: 46 16:38:52 -158.140575 1.9600 BFGS: 47 16:38:52 -158.421976 1.9071 BFGS: 48 16:38:52 -158.695301 1.8529 BFGS: 49 16:38:52 -158.960346 1.7975 BFGS: 50 16:38:53 -159.217050 1.7421 BFGS: 51 16:38:53 -159.465210 1.6841 BFGS: 52 16:38:53 -159.704430 1.6242 BFGS: 53 16:38:53 -159.934490 1.5627 BFGS: 54 16:38:53 -160.155168 1.4997 BFGS: 55 16:38:53 -160.366237 1.4351 BFGS: 56 16:38:53 -160.567464 1.3690 BFGS: 57 16:38:53 -160.758613 1.3012 BFGS: 58 16:38:53 -160.939445 1.2318 BFGS: 59 16:38:53 -161.109718 1.1607 BFGS: 60 16:38:53 -161.269187 1.0880 BFGS: 61 16:38:53 -161.417607 1.0136 BFGS: 62 16:38:53 -161.554728 0.9375 BFGS: 63 16:38:53 -161.680302 0.8596 BFGS: 64 16:38:53 -161.794097 0.7803 BFGS: 65 16:38:53 -161.895919 0.6991 BFGS: 66 16:38:53 -161.985458 0.6160 BFGS: 67 16:38:53 -162.062459 0.5312 BFGS: 68 16:38:53 -162.126687 0.4447 BFGS: 69 16:38:53 -162.177918 0.3566 BFGS: 70 16:38:53 -162.215953 0.2669 BFGS: 71 16:38:53 -162.240636 0.1759 BFGS: 72 16:38:53 -162.251919 0.0842 BFGS: 73 16:38:53 -162.252787 0.0521 BFGS: 74 16:38:53 -162.252859 0.0517 BFGS: 75 16:38:53 -162.256069 0.0654 BFGS: 76 16:38:53 -162.259408 0.0989 BFGS: 77 16:38:53 -162.263750 0.1292 BFGS: 78 16:38:54 -162.270154 0.1536 BFGS: 79 16:38:54 -162.279251 0.1727 BFGS: 80 16:38:54 -162.291205 0.1879 BFGS: 81 16:38:54 -162.305975 0.2005 BFGS: 82 16:38:54 -162.323481 0.2116 BFGS: 83 16:38:54 -162.343638 0.2218 BFGS: 84 16:38:54 -162.366345 0.2545 BFGS: 85 16:38:54 -162.391518 0.2895 BFGS: 86 16:38:54 -162.419094 0.3247 BFGS: 87 16:38:54 -162.449026 0.3588 BFGS: 88 16:38:54 -162.481279 0.3929 BFGS: 89 16:38:54 -162.515823 0.4269 BFGS: 90 16:38:54 -162.552633 0.4608 BFGS: 91 16:38:54 -162.591704 0.4954 BFGS: 92 16:38:54 -162.632987 0.5286 BFGS: 93 16:38:54 -162.676493 0.5621 BFGS: 94 16:38:54 -162.722207 0.5955 BFGS: 95 16:38:54 -162.770112 0.6288 BFGS: 96 16:38:54 -162.820204 0.6623 BFGS: 97 16:38:54 -162.872471 0.6957 BFGS: 98 16:38:54 -162.926910 0.7291 BFGS: 99 16:38:54 -162.983522 0.7626 BFGS: 100 16:38:54 -163.042294 0.7962 BFGS: 101 16:38:54 -163.103229 0.8299 BFGS: 102 16:38:54 -163.166334 0.8637 BFGS: 103 16:38:54 -163.231604 0.8976 BFGS: 104 16:38:54 -163.299053 0.9317 BFGS: 105 16:38:54 -163.368678 0.9659 BFGS: 106 16:38:55 -163.440458 1.0003 BFGS: 107 16:38:55 -163.514407 1.0348 BFGS: 108 16:38:55 -163.590525 1.0695 BFGS: 109 16:38:55 -163.668820 1.1043 BFGS: 110 16:38:55 -163.749301 1.1394 BFGS: 111 16:38:55 -163.831982 1.1745 BFGS: 112 16:38:55 -163.916877 1.2103 BFGS: 113 16:38:55 -164.004026 1.2464 BFGS: 114 16:38:55 -164.093410 1.2823 BFGS: 115 16:38:55 -164.185057 1.3183 BFGS: 116 16:38:55 -164.278988 1.3546 BFGS: 117 16:38:55 -164.375221 1.3911 BFGS: 118 16:38:55 -164.473780 1.4278 BFGS: 119 16:38:55 -164.574690 1.4648 BFGS: 120 16:38:55 -164.677981 1.5021 BFGS: 121 16:38:55 -164.783688 1.5401 BFGS: 122 16:38:55 -164.891862 1.5785 BFGS: 123 16:38:55 -165.002519 1.6168 BFGS: 124 16:38:55 -165.115759 1.6557 BFGS: 125 16:38:55 -165.231607 1.6959 BFGS: 126 16:38:55 -165.350084 1.7354 BFGS: 127 16:38:55 -165.471336 1.7754 BFGS: 128 16:38:55 -165.595449 1.8160 BFGS: 129 16:38:55 -165.722489 1.8566 BFGS: 130 16:38:55 -165.852597 1.8976 BFGS: 131 16:38:55 -165.985902 1.9391 BFGS: 132 16:38:55 -166.122558 1.9813 BFGS: 133 16:38:56 -166.262748 2.0240 BFGS: 134 16:38:56 -166.406719 2.0682 BFGS: 135 16:38:56 -166.554662 2.1124 BFGS: 136 16:38:56 -166.706992 2.1574 BFGS: 137 16:38:56 -166.864131 2.2042 BFGS: 138 16:38:56 -167.026653 2.2513 BFGS: 139 16:38:56 -167.195194 2.2996 BFGS: 140 16:38:56 -167.370636 2.3488 BFGS: 141 16:38:56 -167.554241 2.3994 BFGS: 142 16:38:56 -167.747681 2.4516 BFGS: 143 16:38:56 -167.953357 2.5058 BFGS: 144 16:38:56 -168.174824 2.5623 BFGS: 145 16:38:56 -168.417585 2.6214 BFGS: 146 16:38:56 -168.690515 2.6834 BFGS: 147 16:38:56 -169.008177 2.7486 BFGS: 148 16:38:56 -169.394672 2.8165 BFGS: 149 16:38:56 -169.841357 3.3125 BFGS: 150 16:38:56 -170.304260 3.7859 BFGS: 151 16:38:56 -170.789994 4.1681 BFGS: 152 16:38:56 -171.303195 4.4144 BFGS: 153 16:38:56 -171.849334 4.4922 BFGS: 154 16:38:56 -172.439042 4.4008 BFGS: 155 16:38:56 -173.098644 4.1826 BFGS: 156 16:38:56 -173.684027 4.0510 BFGS: 157 16:38:56 -174.355516 4.1200 BFGS: 158 16:38:56 -175.012333 4.0537 BFGS: 159 16:38:56 -175.665460 3.8857 BFGS: 160 16:38:57 -176.324435 3.6435 BFGS: 161 16:38:57 -176.989235 3.3545 BFGS: 162 16:38:57 -177.594000 3.0809 BFGS: 163 16:38:57 -178.157606 3.0058 BFGS: 164 16:38:57 -178.693124 3.0184 BFGS: 165 16:38:57 -179.209988 3.0570 BFGS: 166 16:38:57 -179.715474 3.0966 BFGS: 167 16:38:57 -180.215139 3.1369 BFGS: 168 16:38:57 -180.713362 3.1779 BFGS: 169 16:38:57 -181.213365 3.2199 BFGS: 170 16:38:57 -181.716788 3.2615 BFGS: 171 16:38:57 -182.224099 3.3028 BFGS: 172 16:38:57 -182.733811 3.5420 BFGS: 173 16:38:57 -183.243469 3.8591 BFGS: 174 16:38:57 -183.754103 4.1727 BFGS: 175 16:38:57 -184.264515 4.4902 BFGS: 176 16:38:57 -184.776207 4.7988 BFGS: 177 16:38:57 -185.288666 5.1007 BFGS: 178 16:38:57 -185.802311 5.3936 BFGS: 179 16:38:57 -186.316540 5.6747 BFGS: 180 16:38:57 -186.832043 5.9398 BFGS: 181 16:38:57 -187.348834 6.1876 BFGS: 182 16:38:57 -187.866913 6.4153 BFGS: 183 16:38:57 -188.386200 6.6207 BFGS: 184 16:38:57 -188.907375 6.8016 BFGS: 185 16:38:57 -189.429964 6.9565 BFGS: 186 16:38:58 -189.953300 7.0844 BFGS: 187 16:38:58 -190.477933 7.1837 BFGS: 188 16:38:58 -191.003501 7.2545 BFGS: 189 16:38:58 -191.529445 7.2978 BFGS: 190 16:38:58 -192.056141 7.3132 BFGS: 191 16:38:58 -192.581368 7.3008 BFGS: 192 16:38:58 -193.104334 7.2639 BFGS: 193 16:38:58 -193.624088 7.2044 BFGS: 194 16:38:58 -194.139449 7.1256 BFGS: 195 16:38:58 -194.649651 7.0288 BFGS: 196 16:38:58 -195.153924 6.9160 BFGS: 197 16:38:58 -195.651288 6.7897 BFGS: 198 16:38:58 -196.140949 6.6514 BFGS: 199 16:38:58 -196.622133 6.8779 BFGS: 200 16:38:58 -197.094077 7.5565 BFGS: 201 16:38:58 -197.556006 8.2418 BFGS: 202 16:38:58 -198.007437 8.9207 BFGS: 203 16:38:58 -198.447772 9.5941 BFGS: 204 16:38:58 -198.876083 10.2503 BFGS: 205 16:38:58 -199.292383 10.8901 BFGS: 206 16:38:58 -199.696435 11.5063 BFGS: 207 16:38:58 -200.088004 12.0985 BFGS: 208 16:38:58 -200.467895 12.6592 BFGS: 209 16:38:58 -200.837639 13.1973 BFGS: 210 16:38:58 -201.198597 13.7161 BFGS: 211 16:38:58 -201.551712 14.2070 BFGS: 212 16:38:58 -201.899670 14.6851 BFGS: 213 16:38:59 -202.244432 15.1517 BFGS: 214 16:38:59 -202.588074 15.5826 BFGS: 215 16:38:59 -202.932578 16.0552 BFGS: 216 16:38:59 -203.278200 16.4215 BFGS: 217 16:38:59 -203.626949 16.9839 BFGS: 218 16:38:59 -203.978184 17.2275 BFGS: 219 16:38:59 -204.332550 17.8227 BFGS: 220 16:38:59 -204.688866 18.1719 BFGS: 221 16:38:59 -205.048375 18.6528 BFGS: 222 16:38:59 -205.410536 19.0770 BFGS: 223 16:38:59 -205.774905 19.5322 BFGS: 224 16:38:59 -206.141194 19.9729 BFGS: 225 16:38:59 -206.509193 20.4234 BFGS: 226 16:38:59 -206.878159 20.8721 BFGS: 227 16:38:59 -207.248317 21.3180 BFGS: 228 16:38:59 -207.619716 21.7620 BFGS: 229 16:38:59 -207.991591 22.1968 BFGS: 230 16:38:59 -208.365191 22.6384 BFGS: 231 16:38:59 -208.740578 23.0653 BFGS: 232 16:38:59 -209.118366 23.5023 BFGS: 233 16:38:59 -209.498475 23.9157 BFGS: 234 16:38:59 -209.882226 24.3514 BFGS: 235 16:38:59 -210.269202 24.7534 BFGS: 236 16:38:59 -210.660061 25.1873 BFGS: 237 16:38:59 -211.053794 25.5823 BFGS: 238 16:38:59 -211.450465 26.0114 BFGS: 239 16:39:00 -211.848676 26.4058 BFGS: 240 16:39:00 -212.248820 26.8324 BFGS: 241 16:39:00 -212.650036 27.2125 BFGS: 242 16:39:00 -213.051280 27.6325 BFGS: 243 16:39:00 -213.452680 27.9915 BFGS: 244 16:39:00 -213.854785 28.4111 BFGS: 245 16:39:00 -214.255176 28.7480 BFGS: 246 16:39:00 -214.654645 29.1816 BFGS: 247 16:39:00 -215.048555 29.4972 BFGS: 248 16:39:00 -215.439529 29.9564 BFGS: 249 16:39:00 -215.824364 30.2667 BFGS: 250 16:39:00 -216.203505 30.7339 BFGS: 251 16:39:00 -216.576818 31.0373 BFGS: 252 16:39:00 -216.945060 31.5221 BFGS: 253 16:39:00 -217.308444 31.7742 BFGS: 254 16:39:00 -217.667559 32.3239 BFGS: 255 16:39:00 -218.024589 32.4322 BFGS: 256 16:39:00 -218.378880 33.0084 BFGS: 257 16:39:00 -218.732750 33.1272 BFGS: 258 16:39:00 -219.087981 33.5413 BFGS: 259 16:39:00 -219.444682 33.7290 BFGS: 260 16:39:00 -219.806750 34.0359 BFGS: 261 16:39:00 -220.173113 34.1824 BFGS: 262 16:39:00 -220.548278 34.4450 BFGS: 263 16:39:00 -220.929251 34.4956 BFGS: 264 16:39:01 -221.322586 34.7248 BFGS: 265 16:39:01 -221.725747 34.6599 BFGS: 266 16:39:01 -222.147608 34.7778 BFGS: 267 16:39:01 -222.593617 34.6140 BFGS: 268 16:39:01 -223.072101 34.4853 BFGS: 269 16:39:01 -223.528859 34.2847 BFGS: 270 16:39:01 -223.948993 33.9879 BFGS: 271 16:39:01 -224.369216 33.6983 BFGS: 272 16:39:01 -224.848541 33.5025 BFGS: 273 16:39:01 -225.329317 33.4008 BFGS: 274 16:39:01 -225.696494 33.6770 BFGS: 275 16:39:01 -226.137043 33.7853 BFGS: 276 16:39:01 -226.547367 33.9771 BFGS: 277 16:39:01 -226.938290 34.2732 BFGS: 278 16:39:01 -227.328364 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-460.778403 6.4979 BFGS: 614 16:39:16 -460.789677 6.5086 BFGS: 615 16:39:16 -460.804729 6.4693 BFGS: 616 16:39:16 -460.822515 6.3539 BFGS: 617 16:39:16 -460.842696 6.1772 BFGS: 618 16:39:16 -460.866910 5.9675 BFGS: 619 16:39:16 -460.896299 5.7871 BFGS: 620 16:39:16 -460.928770 5.6886 BFGS: 621 16:39:16 -460.960693 5.6867 BFGS: 622 16:39:16 -460.996029 5.7491 BFGS: 623 16:39:16 -461.044133 5.8115 BFGS: 624 16:39:16 -461.110808 5.8459 BFGS: 625 16:39:17 -461.178209 5.7922 BFGS: 626 16:39:17 -461.246487 5.6916 BFGS: 627 16:39:17 -461.311476 5.5242 BFGS: 628 16:39:17 -461.370316 5.3242 BFGS: 629 16:39:17 -461.420082 5.1094 BFGS: 630 16:39:17 -461.467058 4.8993 BFGS: 631 16:39:17 -461.525822 4.7270 BFGS: 632 16:39:17 -461.596730 4.6085 BFGS: 633 16:39:17 -461.675551 4.5492 BFGS: 634 16:39:17 -461.746383 4.5134 BFGS: 635 16:39:17 -461.810821 4.4705 BFGS: 636 16:39:17 -461.859308 4.4211 BFGS: 637 16:39:17 -461.907858 4.2849 BFGS: 638 16:39:17 -461.961438 4.1330 BFGS: 639 16:39:17 -462.010476 3.9407 BFGS: 640 16:39:17 -462.062612 3.7214 BFGS: 641 16:39:17 -462.104350 3.5019 BFGS: 642 16:39:17 -462.143456 3.2786 BFGS: 643 16:39:17 -462.177730 3.0395 BFGS: 644 16:39:17 -462.211835 2.9429 BFGS: 645 16:39:17 -462.245264 2.8706 BFGS: 646 16:39:17 -462.277816 2.7885 BFGS: 647 16:39:18 -462.309280 2.7022 BFGS: 648 16:39:18 -462.339368 2.6141 BFGS: 649 16:39:18 -462.367846 2.5401 BFGS: 650 16:39:18 -462.394462 2.4887 BFGS: 651 16:39:18 -462.419106 2.4459 BFGS: 652 16:39:18 -462.458335 2.3472 BFGS: 653 16:39:18 -462.486550 2.3049 BFGS: 654 16:39:18 -462.514965 2.2639 BFGS: 655 16:39:18 -462.543903 2.2240 BFGS: 656 16:39:18 -462.573758 2.1862 BFGS: 657 16:39:18 -462.604644 2.1493 BFGS: 658 16:39:18 -462.636186 2.1136 BFGS: 659 16:39:18 -462.667648 2.0786 BFGS: 660 16:39:18 -462.698305 2.0350 BFGS: 661 16:39:18 -462.726976 1.9691 BFGS: 662 16:39:18 -462.750814 1.8416 BFGS: 663 16:39:18 -462.775462 1.6873 BFGS: 664 16:39:18 -462.816268 1.7127 BFGS: 665 16:39:18 -462.869892 1.6893 BFGS: 666 16:39:18 -462.922334 1.6091 BFGS: 667 16:39:18 -462.962973 1.4799 BFGS: 668 16:39:18 -463.002606 1.3374 BFGS: 669 16:39:19 -463.040296 1.2430 BFGS: 670 16:39:19 -463.085283 1.1664 BFGS: 671 16:39:19 -463.119175 1.2728 BFGS: 672 16:39:19 -463.158273 1.3118 BFGS: 673 16:39:19 -463.200836 1.2834 BFGS: 674 16:39:19 -463.257344 1.3241 BFGS: 675 16:39:19 -463.316065 1.2860 BFGS: 676 16:39:19 -463.369301 1.1556 BFGS: 677 16:39:19 -463.419040 0.9627 BFGS: 678 16:39:19 -463.471223 1.1318 BFGS: 679 16:39:19 -463.523657 1.2835 BFGS: 680 16:39:19 -463.573793 1.3807 BFGS: 681 16:39:19 -463.606651 1.3706 BFGS: 682 16:39:19 -463.633750 1.3232 BFGS: 683 16:39:19 -463.653950 1.2629 BFGS: 684 16:39:19 -463.669158 1.2154 BFGS: 685 16:39:19 -463.680193 1.1927 BFGS: 686 16:39:19 -463.691021 1.1794 BFGS: 687 16:39:19 -463.704658 1.1698 BFGS: 688 16:39:19 -463.725139 1.1455 BFGS: 689 16:39:19 -463.753446 1.1768 BFGS: 690 16:39:19 -463.778784 1.1783 BFGS: 691 16:39:20 -463.807883 1.2610 BFGS: 692 16:39:20 -463.830463 1.3041 BFGS: 693 16:39:20 -463.851874 1.4437 BFGS: 694 16:39:20 -463.867540 1.7628 BFGS: 695 16:39:20 -463.883523 2.0222 BFGS: 696 16:39:20 -463.900383 2.1867 BFGS: 697 16:39:20 -463.915477 2.1825 BFGS: 698 16:39:20 -463.928508 2.0793 BFGS: 699 16:39:20 -463.943007 1.9166 BFGS: 700 16:39:20 -463.960688 1.8378 BFGS: 701 16:39:20 -463.983016 1.8141 BFGS: 702 16:39:20 -464.006028 1.7970 BFGS: 703 16:39:20 -464.023351 1.9092 BFGS: 704 16:39:20 -464.034628 2.0950 BFGS: 705 16:39:20 -464.043481 2.1731 BFGS: 706 16:39:20 -464.056315 2.3016 BFGS: 707 16:39:20 -464.076589 2.3968 BFGS: 708 16:39:20 -464.112274 2.5359 BFGS: 709 16:39:20 -464.158352 2.6911 BFGS: 710 16:39:20 -464.206600 2.8360 BFGS: 711 16:39:20 -464.234599 2.8777 BFGS: 712 16:39:20 -464.247904 2.8969 BFGS: 713 16:39:21 -464.253644 2.8607 BFGS: 714 16:39:21 -464.257275 2.9049 BFGS: 715 16:39:21 -464.259674 2.8788 BFGS: 716 16:39:21 -464.261358 2.9070 BFGS: 717 16:39:21 -464.262357 2.8926 BFGS: 718 16:39:21 -464.262939 2.9189 BFGS: 719 16:39:21 -464.263303 2.9053 BFGS: 720 16:39:21 -464.263658 2.9179 BFGS: 721 16:39:21 -464.264234 2.9220 BFGS: 722 16:39:21 -464.265194 2.9292 BFGS: 723 16:39:21 -464.266894 2.9329 BFGS: 724 16:39:21 -464.270261 2.9328 BFGS: 725 16:39:21 -464.277567 2.9233 BFGS: 726 16:39:21 -464.294231 2.8919 BFGS: 727 16:39:21 -464.332599 2.8118 BFGS: 728 16:39:21 -464.416125 2.5882 BFGS: 729 16:39:21 -464.558809 2.3741 BFGS: 730 16:39:21 -464.802998 1.8173 BFGS: 731 16:39:21 -464.989758 1.4423 BFGS: 732 16:39:21 -465.103970 1.1074 BFGS: 733 16:39:21 -465.187966 1.0726 BFGS: 734 16:39:22 -465.237203 1.0299 BFGS: 735 16:39:22 -465.250012 1.0310 BFGS: 736 16:39:22 -465.262162 1.0638 BFGS: 737 16:39:22 -465.266383 1.0730 BFGS: 738 16:39:22 -465.269714 1.2142 BFGS: 739 16:39:22 -465.270686 1.2491 BFGS: 740 16:39:22 -465.271876 1.3153 BFGS: 741 16:39:22 -465.272116 1.3208 BFGS: 742 16:39:22 -465.272524 1.3190 BFGS: 743 16:39:22 -465.272893 1.3127 BFGS: 744 16:39:22 -465.273836 1.3004 BFGS: 745 16:39:22 -465.275514 1.2885 BFGS: 746 16:39:22 -465.279033 1.2804 BFGS: 747 16:39:22 -465.285951 1.2831 BFGS: 748 16:39:22 -465.300450 1.3017 BFGS: 749 16:39:22 -465.330836 1.3341 BFGS: 750 16:39:22 -465.391472 1.3526 BFGS: 751 16:39:22 -465.473129 1.2940 BFGS: 752 16:39:22 -465.550985 1.1521 BFGS: 753 16:39:22 -465.621695 0.9177 BFGS: 754 16:39:22 -465.667376 0.8734 BFGS: 755 16:39:22 -465.676075 0.6945 BFGS: 756 16:39:23 -465.679114 0.5617 BFGS: 757 16:39:23 -465.680108 0.5483 BFGS: 758 16:39:23 -465.680788 0.5320 BFGS: 759 16:39:23 -465.681061 0.5367 BFGS: 760 16:39:23 -465.681256 0.5498 BFGS: 761 16:39:23 -465.681312 0.5526 BFGS: 762 16:39:23 -465.681353 0.5550 BFGS: 763 16:39:23 -465.681355 0.5543 BFGS: 764 16:39:23 -465.681356 0.5537 BFGS: 765 16:39:23 -465.681356 0.5536 BFGS: 766 16:39:23 -465.681356 0.5534 BFGS: 767 16:39:23 -465.681356 0.5534 BFGS: 768 16:39:23 -465.681357 0.5535 BFGS: 769 16:39:23 -465.681357 0.5536 BFGS: 770 16:39:23 -465.681357 0.5537 BFGS: 771 16:39:23 -465.681358 0.5538 BFGS: 772 16:39:23 -465.681360 0.5540 BFGS: 773 16:39:23 -465.681366 0.5544 BFGS: 774 16:39:23 -465.681380 0.5548 BFGS: 775 16:39:23 -465.681415 0.5555 BFGS: 776 16:39:23 -465.681506 0.5562 BFGS: 777 16:39:24 -465.681737 0.5569 BFGS: 778 16:39:24 -465.682328 0.5635 BFGS: 779 16:39:24 -465.683818 0.5708 BFGS: 780 16:39:24 -465.687582 0.5895 BFGS: 781 16:39:24 -465.696561 0.6568 BFGS: 782 16:39:24 -465.715878 0.8767 BFGS: 783 16:39:24 -465.748460 0.9958 BFGS: 784 16:39:24 -465.783788 0.8477 BFGS: 785 16:39:24 -465.802659 0.3688 BFGS: 786 16:39:24 -465.805969 0.2057 BFGS: 787 16:39:24 -465.806213 0.1889 BFGS: 788 16:39:24 -465.806249 0.1880 BFGS: 789 16:39:24 -465.806270 0.1992 BFGS: 790 16:39:24 -465.806281 0.2055 BFGS: 791 16:39:24 -465.806287 0.2086 BFGS: 792 16:39:24 -465.806289 0.2095 BFGS: 793 16:39:24 -465.806290 0.2096 BFGS: 794 16:39:24 -465.806291 0.2093 BFGS: 795 16:39:24 -465.806291 0.2087 BFGS: 796 16:39:24 -465.806291 0.2086 BFGS: 797 16:39:24 -465.806291 0.2085 BFGS: 798 16:39:24 -465.806291 0.2085 BFGS: 799 16:39:25 -465.806291 0.2084 BFGS: 800 16:39:25 -465.806291 0.2084 BFGS: 801 16:39:25 -465.806291 0.2083 BFGS: 802 16:39:25 -465.806291 0.2081 BFGS: 803 16:39:25 -465.806291 0.2079 BFGS: 804 16:39:25 -465.806291 0.2075 BFGS: 805 16:39:25 -465.806292 0.2068 BFGS: 806 16:39:25 -465.806294 0.2056 BFGS: 807 16:39:25 -465.806300 0.2037 BFGS: 808 16:39:25 -465.806314 0.2004 BFGS: 809 16:39:25 -465.806352 0.1944 BFGS: 810 16:39:25 -465.806426 0.1876 BFGS: 811 16:39:25 -465.806656 0.1747 BFGS: 812 16:39:25 -465.806905 0.1726 BFGS: 813 16:39:25 -465.807180 0.1723 BFGS: 814 16:39:25 -465.807475 0.1710 BFGS: 815 16:39:25 -465.807785 0.1692 BFGS: 816 16:39:25 -465.808106 0.1670 BFGS: 817 16:39:25 -465.808434 0.1645 BFGS: 818 16:39:25 -465.808766 0.1617 BFGS: 819 16:39:25 -465.809100 0.1587 BFGS: 820 16:39:26 -465.809435 0.1556 BFGS: 821 16:39:26 -465.809768 0.1523 BFGS: 822 16:39:26 -465.810098 0.1489 BFGS: 823 16:39:26 -465.810423 0.1454 BFGS: 824 16:39:26 -465.810744 0.1419 BFGS: 825 16:39:26 -465.811058 0.1383 BFGS: 826 16:39:26 -465.811365 0.1346 BFGS: 827 16:39:26 -465.811665 0.1309 BFGS: 828 16:39:26 -465.811957 0.1272 BFGS: 829 16:39:26 -465.812240 0.1235 BFGS: 830 16:39:26 -465.812514 0.1197 BFGS: 831 16:39:26 -465.812780 0.1159 BFGS: 832 16:39:26 -465.813036 0.1121 BFGS: 833 16:39:26 -465.813282 0.1083 BFGS: 834 16:39:26 -465.813519 0.1045 BFGS: 835 16:39:26 -465.813746 0.1007 BFGS: 836 16:39:26 -465.813964 0.0969 BFGS: 837 16:39:26 -465.814171 0.0931 BFGS: 838 16:39:26 -465.814369 0.0893 BFGS: 839 16:39:26 -465.814557 0.0855 BFGS: 840 16:39:26 -465.814734 0.0817 BFGS: 841 16:39:27 -465.814902 0.0778 BFGS: 842 16:39:27 -465.815060 0.0740 BFGS: 843 16:39:27 -465.815207 0.0702 BFGS: 844 16:39:27 -465.815345 0.0664 BFGS: 845 16:39:27 -465.815472 0.0626 BFGS: 846 16:39:27 -465.815590 0.0588 BFGS: 847 16:39:27 -465.815697 0.0550 BFGS: 848 16:39:27 -465.815795 0.0512 BFGS: 849 16:39:27 -465.815882 0.0474 BFGS: 850 16:39:27 -465.815960 0.0436 BFGS: 851 16:39:27 -465.816027 0.0398 BFGS: 852 16:39:27 -465.816084 0.0361 BFGS: 853 16:39:27 -465.816132 0.0323 BFGS: 854 16:39:27 -465.816169 0.0285 BFGS: 855 16:39:27 -465.816196 0.0248 BFGS: 856 16:39:27 -465.816214 0.0210 BFGS: 857 16:39:27 -465.816221 0.0183 BFGS: 858 16:39:27 -465.816222 0.0183 BFGS: 859 16:39:27 -465.816222 0.0183 BFGS: 860 16:39:27 -465.816222 0.0182 BFGS: 861 16:39:27 -465.816223 0.0180 BFGS: 862 16:39:27 -465.816227 0.0173 BFGS: 863 16:39:28 -465.816235 0.0156 BFGS: 864 16:39:28 -465.816251 0.0119 BFGS: 865 16:39:28 -465.816275 0.0080 BFGS: 866 16:39:28 -465.816295 0.0056 BFGS: 867 16:39:28 -465.816302 0.0028 BFGS: 868 16:39:28 -465.816303 0.0014 BFGS: 869 16:39:28 -465.816303 0.0009 BFGS: 870 16:39:28 -465.816303 0.0004 BFGS: 871 16:39:28 -465.816303 0.0002 BFGS: 872 16:39:28 -465.816303 0.0000 BFGS: 873 16:39:28 -465.816303 0.0000 BFGS: 874 16:39:28 -465.816303 0.0000 BFGS: 875 16:39:28 -465.816303 0.0000 BFGS: 876 16:39:28 -465.816303 0.0000 BFGS: 877 16:39:28 -465.816303 0.0000 BFGS: 878 16:39:28 -465.816303 0.0000 BFGS: 879 16:39:28 -465.816303 0.0000 Minimization converged after 879 steps. Maximum force component: 1.0450935224084837e-08 eV/Angstrom Maximum stress component: 5.6475788348080536e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[0.00000000e+00 0.00000000e+00 8.10016246e-02] [0.00000000e+00 0.00000000e+00 8.56506418e-01] [0.00000000e+00 3.41160271e-29 7.57977521e-01] [4.92358977e-29 2.38812189e-28 6.62411871e-01] [0.00000000e+00 0.00000000e+00 5.67396853e-01] [0.00000000e+00 0.00000000e+00 4.66272293e-01] [6.29574593e-29 8.52900677e-29 3.70674319e-01] [1.95193325e-29 6.39675508e-29 2.74304272e-01] [0.00000000e+00 8.52900677e-30 1.76310942e-01] [3.33333333e-01 6.66666667e-01 9.98858714e-01] [3.33333333e-01 6.66666667e-01 9.49469017e-02] [3.33333333e-01 6.66666667e-01 8.65138401e-01] [3.33333333e-01 6.66666667e-01 6.84877135e-01] [3.33333333e-01 6.66666667e-01 1.91201934e-01] [3.33333333e-01 6.66666667e-01 5.85109278e-01] [3.33333333e-01 6.66666667e-01 2.87568694e-01] [3.33333333e-01 6.66666667e-01 3.83841655e-01] [6.66666667e-01 3.33333333e-01 8.77376265e-01] [6.66666667e-01 3.33333333e-01 7.09504440e-02] [6.66666667e-01 3.33333333e-01 9.74619828e-01] [6.66666667e-01 3.33333333e-01 1.68023741e-01] [6.66666667e-01 3.33333333e-01 6.73079140e-01] [6.66666667e-01 3.33333333e-01 2.99786221e-01] [6.66666667e-01 3.33333333e-01 3.95667062e-01] [0.00000000e+00 0.00000000e+00 5.15557059e-01] [0.00000000e+00 0.00000000e+00 4.18155488e-01] [0.00000000e+00 0.00000000e+00 3.21118651e-01] [0.00000000e+00 0.00000000e+00 6.15386036e-01] [0.00000000e+00 0.00000000e+00 2.22918277e-01] [0.00000000e+00 0.00000000e+00 7.09312859e-01] [0.00000000e+00 0.00000000e+00 1.28793600e-01] [0.00000000e+00 0.00000000e+00 9.87163973e-01] [0.00000000e+00 0.00000000e+00 8.06924469e-01] [3.33333333e-01 6.66666667e-01 9.49828816e-01] [3.33333333e-01 6.66666667e-01 7.34610780e-01] [3.33333333e-01 6.66666667e-01 6.37132352e-01] [3.33333333e-01 6.66666667e-01 5.37621721e-01] [3.33333333e-01 6.66666667e-01 3.35636252e-01] [3.33333333e-01 6.66666667e-01 2.39714905e-01] [3.33333333e-01 6.66666667e-01 1.44609353e-01] [3.33333333e-01 6.66666667e-01 4.75851681e-02] [6.66666667e-01 3.33333333e-01 2.27866772e-02] [6.66666667e-01 3.33333333e-01 6.01211972e-01] [6.66666667e-01 3.33333333e-01 1.17583772e-01] [6.66666667e-01 3.33333333e-01 3.49056433e-01] [6.66666667e-01 3.33333333e-01 8.30123438e-01] [6.66666667e-01 3.33333333e-01 9.25239584e-01] [6.66666667e-01 3.33333333e-01 2.52704601e-01]] cellpar = Cell([[3.417600710149023, 7.447566152389455e-17, -3.2807709617311037e-15], [-1.7088003550745114, 2.959729034980794, -1.597301017002118e-14], [-4.96638436853735e-14, -4.1199833139660187e-13, 44.69496412322084]]) forces = [[-5.77580211e-25 -4.79097809e-24 5.19741411e-10] [-6.27818834e-24 -5.20822178e-23 5.65005408e-09] [ 1.02870880e-24 8.53390065e-24 -9.25786233e-10] [ 4.29307763e-24 3.56142555e-23 -3.86355417e-09] [-5.56752935e-25 -4.61867756e-24 5.01049670e-10] [ 3.25253080e-24 2.69821497e-23 -2.92711431e-09] [-2.61509845e-24 -2.16941766e-23 2.35345722e-09] [ 8.87144185e-24 7.35951744e-23 -7.98385194e-09] [ 8.36281336e-24 6.93762019e-23 -7.52616362e-09] [-3.58259449e-24 -2.97202722e-23 3.22415505e-09] [-7.14694371e-25 -5.92997251e-24 6.43292548e-10] [ 3.99454770e-24 3.31377289e-23 -3.59489224e-09] [-3.71650964e-24 -3.08333052e-23 3.34487900e-09] [ 6.01675708e-24 4.99145058e-23 -5.41488260e-09] [-9.79702395e-25 -8.12735628e-24 8.81682933e-10] [ 5.48055076e-24 4.54652238e-23 -4.93222033e-09] [-3.23952757e-25 -2.68321232e-24 2.91127121e-10] [-2.84886960e-24 -2.36334813e-23 2.56383951e-09] [ 6.04215282e-24 5.01236015e-23 -5.43758221e-09] [ 2.38894124e-24 1.98180352e-23 -2.14992709e-09] [-5.41725330e-24 -4.49401245e-23 4.87525580e-09] [ 7.80521411e-25 6.47500264e-24 -7.02430055e-10] [-5.20571678e-24 -4.31860879e-23 4.68496120e-09] [ 3.11824242e-24 2.58681282e-23 -2.80626151e-09] [-9.44497696e-25 -7.83530725e-24 8.50000473e-10] [-3.52254245e-25 -2.92222452e-24 3.17012740e-10] [-3.33271900e-24 -2.76473701e-23 2.99927966e-09] [-2.44020314e-24 -2.02432907e-23 2.19606023e-09] [-1.16128560e-23 -9.63367067e-23 1.04509352e-08] [-2.50802944e-24 -2.08059600e-23 2.25710049e-09] [-2.10183241e-24 -1.74362551e-23 1.89154357e-09] [ 9.56022954e-25 7.92986392e-24 -8.60269105e-10] [ 3.54449017e-24 2.94041686e-23 -3.18986307e-09] [ 2.75566224e-25 2.28602573e-24 -2.47995757e-10] [ 5.60391134e-25 4.64885911e-24 -5.04323865e-10] [ 1.90001355e-24 1.57620182e-23 -1.70991673e-09] [ 1.80987823e-24 1.50142791e-23 -1.62879947e-09] [-4.40905089e-24 -3.65763395e-23 3.96792428e-09] [-2.87112569e-24 -2.38189274e-23 2.58394651e-09] [ 8.09416686e-25 6.71511798e-24 -7.28473171e-10] [-3.43848542e-25 -2.85274155e-24 3.09472292e-10] [ 2.94315918e-25 2.44143658e-24 -2.64856599e-10] [-6.17542502e-27 -5.12297199e-26 5.55757225e-12] [-1.47016203e-24 -1.21960893e-23 1.32307277e-09] [-1.67560303e-25 -1.39028526e-24 1.50820117e-10] [ 1.47808422e-24 1.22618023e-23 -1.33020154e-09] [-1.29474198e-24 -1.07408428e-23 1.16520274e-09] [ 1.41352785e-24 1.17258518e-23 -1.27206523e-09]] stress = [ 5.64757883e-11 5.64757883e-11 -2.50520463e-11 3.61083112e-25 5.67628452e-26 8.09922178e-27] energy per atom = -9.704506319012749 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.03126892] [0. 0. 0.9062485 ] [0. 0. 0.78124739] [0. 0. 0.69789905] [0. 0. 0.57291647] [0. 0. 0.48956022] [0. 0. 0.36457782] [0. 0. 0.2812314 ] [0. 0. 0.1562503 ] [0.33333333 0.66666667 0.98956008] [0.33333333 0.66666667 0.07291501] [0.33333333 0.66666667 0.73960044] [0.33333333 0.66666667 0.1979183 ] [0.33333333 0.66666667 0.61458054] [0.33333333 0.66666667 0.32293717] [0.33333333 0.66666667 0.86457893] [0.33333333 0.66666667 0.44791588] [0.66666667 0.33333333 0.53127013] [0.66666667 0.33333333 0.82291626] [0.66666667 0.33333333 0.11457988] [0.66666667 0.33333333 0.94791647] [0.66666667 0.33333333 0.65625066] [0.66666667 0.33333333 0.23958128] [0.66666667 0.33333333 0.40624819] [0. 0. 0.54167438] [0. 0. 0.45832735] [0. 0. 0.33333264] [0. 0. 0.66666992] [0. 0. 0.24999629] [0. 0. 0.75000147] [0. 0. 0.12500003] [0. 0. 0. ] [0. 0. 0.87500122] [0.33333333 0.66666667 0.41666973] [0.33333333 0.66666667 0.95833316] [0.33333333 0.66666667 0.83333584] [0.33333333 0.66666667 0.70833559] [0.33333333 0.66666667 0.58333298] [0.33333333 0.66666667 0.2916701 ] [0.33333333 0.66666667 0.16666832] [0.33333333 0.66666667 0.04167108] [0.66666667 0.33333333 0.62499845] [0.66666667 0.33333333 0.08333389] [0.66666667 0.33333333 0.50000115] [0.66666667 0.33333333 0.79167084] [0.66666667 0.33333333 0.20833239] [0.66666667 0.33333333 0.9166712 ] [0.66666667 0.33333333 0.37499988]] spacegroup = 156 cell = [[3.7986, 0, 0], [-1.8993, 3.2896840988156, 0], [0, 0, 74.4809]] ========================================= Step Time Energy fmax BFGS: 0 16:39:32 -139.400721 3.2275 BFGS: 1 16:39:32 -139.842847 3.2167 BFGS: 2 16:39:32 -140.320703 3.2045 BFGS: 3 16:39:32 -140.796790 3.1920 BFGS: 4 16:39:33 -141.271012 3.1789 BFGS: 5 16:39:33 -141.743270 3.1653 BFGS: 6 16:39:33 -142.213465 3.1511 BFGS: 7 16:39:33 -142.681500 3.1363 BFGS: 8 16:39:33 -143.147274 3.1209 BFGS: 9 16:39:33 -143.610687 3.1049 BFGS: 10 16:39:33 -144.071637 3.0882 BFGS: 11 16:39:33 -144.530022 3.0709 BFGS: 12 16:39:33 -144.985737 3.0529 BFGS: 13 16:39:33 -145.438676 3.0341 BFGS: 14 16:39:33 -145.888729 3.0147 BFGS: 15 16:39:33 -146.336856 3.0075 BFGS: 16 16:39:33 -146.784976 2.9954 BFGS: 17 16:39:33 -147.229566 2.9738 BFGS: 18 16:39:33 -147.670850 2.9531 BFGS: 19 16:39:33 -148.108713 2.9304 BFGS: 20 16:39:33 -148.542982 2.9065 BFGS: 21 16:39:33 -148.973558 2.8818 BFGS: 22 16:39:33 -149.400318 2.8562 BFGS: 23 16:39:33 -149.823137 2.8297 BFGS: 24 16:39:33 -150.241885 2.8023 BFGS: 25 16:39:33 -150.656428 2.7739 BFGS: 26 16:39:33 -151.066631 2.7447 BFGS: 27 16:39:33 -151.472352 2.7145 BFGS: 28 16:39:33 -151.873449 2.6833 BFGS: 29 16:39:34 -152.269776 2.6512 BFGS: 30 16:39:34 -152.661183 2.6181 BFGS: 31 16:39:34 -153.047518 2.5839 BFGS: 32 16:39:34 -153.428626 2.5487 BFGS: 33 16:39:34 -153.804349 2.5124 BFGS: 34 16:39:34 -154.174526 2.4750 BFGS: 35 16:39:34 -154.538990 2.4365 BFGS: 36 16:39:34 -154.897574 2.3969 BFGS: 37 16:39:34 -155.250128 2.3564 BFGS: 38 16:39:34 -155.596457 2.3145 BFGS: 39 16:39:34 -155.936382 2.2714 BFGS: 40 16:39:34 -156.269721 2.2270 BFGS: 41 16:39:34 -156.596288 2.1814 BFGS: 42 16:39:34 -156.915895 2.1345 BFGS: 43 16:39:34 -157.228348 2.0863 BFGS: 44 16:39:34 -157.533452 2.0368 BFGS: 45 16:39:34 -157.831005 1.9860 BFGS: 46 16:39:34 -158.120804 1.9337 BFGS: 47 16:39:34 -158.402641 1.8801 BFGS: 48 16:39:34 -158.676304 1.8250 BFGS: 49 16:39:34 -158.941597 1.7690 BFGS: 50 16:39:34 -159.198399 1.7115 BFGS: 51 16:39:34 -159.446405 1.6522 BFGS: 52 16:39:34 -159.685338 1.5912 BFGS: 53 16:39:34 -159.914973 1.5286 BFGS: 54 16:39:34 -160.135077 1.4644 BFGS: 55 16:39:34 -160.345411 1.3986 BFGS: 56 16:39:34 -160.545729 1.3311 BFGS: 57 16:39:34 -160.735783 1.2619 BFGS: 58 16:39:35 -160.915320 1.1911 BFGS: 59 16:39:35 -161.084083 1.1184 BFGS: 60 16:39:35 -161.241810 1.0440 BFGS: 61 16:39:35 -161.388237 0.9678 BFGS: 62 16:39:35 -161.523094 0.8898 BFGS: 63 16:39:35 -161.646111 0.8099 BFGS: 64 16:39:35 -161.757059 0.7285 BFGS: 65 16:39:35 -161.855678 0.6451 BFGS: 66 16:39:35 -161.941626 0.5596 BFGS: 67 16:39:35 -162.014622 0.4720 BFGS: 68 16:39:35 -162.074387 0.3826 BFGS: 69 16:39:35 -162.120650 0.2912 BFGS: 70 16:39:35 -162.153147 0.1980 BFGS: 71 16:39:35 -162.171648 0.1031 BFGS: 72 16:39:35 -162.176272 0.0240 BFGS: 73 16:39:35 -162.176292 0.0257 BFGS: 74 16:39:35 -162.176454 0.0358 BFGS: 75 16:39:35 -162.176766 0.0501 BFGS: 76 16:39:35 -162.177695 0.0833 BFGS: 77 16:39:35 -162.179564 0.1333 BFGS: 78 16:39:35 -162.181671 0.1807 BFGS: 79 16:39:35 -162.184663 0.2249 BFGS: 80 16:39:35 -162.189080 0.2655 BFGS: 81 16:39:35 -162.195337 0.3038 BFGS: 82 16:39:35 -162.203569 0.3390 BFGS: 83 16:39:35 -162.213965 0.3757 BFGS: 84 16:39:35 -162.226656 0.4098 BFGS: 85 16:39:35 -162.241736 0.4435 BFGS: 86 16:39:36 -162.259286 0.4773 BFGS: 87 16:39:36 -162.279383 0.5113 BFGS: 88 16:39:36 -162.302088 0.5454 BFGS: 89 16:39:36 -162.327445 0.5796 BFGS: 90 16:39:36 -162.355491 0.6140 BFGS: 91 16:39:36 -162.386249 0.6483 BFGS: 92 16:39:36 -162.419730 0.6827 BFGS: 93 16:39:36 -162.455950 0.7171 BFGS: 94 16:39:36 -162.494934 0.7520 BFGS: 95 16:39:36 -162.536691 0.7864 BFGS: 96 16:39:36 -162.581252 0.8210 BFGS: 97 16:39:36 -162.628649 0.8558 BFGS: 98 16:39:36 -162.678916 0.8910 BFGS: 99 16:39:36 -162.732098 0.9263 BFGS: 100 16:39:36 -162.788253 0.9614 BFGS: 101 16:39:36 -162.847459 0.9967 BFGS: 102 16:39:36 -162.909811 1.0324 BFGS: 103 16:39:36 -162.975432 1.0685 BFGS: 104 16:39:36 -163.044477 1.1048 BFGS: 105 16:39:36 -163.117137 1.1417 BFGS: 106 16:39:36 -163.193647 1.1792 BFGS: 107 16:39:36 -163.274332 1.2171 BFGS: 108 16:39:36 -163.359636 1.2558 BFGS: 109 16:39:36 -163.450132 1.2959 BFGS: 110 16:39:36 -163.546527 1.3368 BFGS: 111 16:39:36 -163.649926 1.3786 BFGS: 112 16:39:36 -163.761822 1.4225 BFGS: 113 16:39:36 -163.884383 1.4681 BFGS: 114 16:39:37 -164.020925 1.5168 BFGS: 115 16:39:37 -164.176632 1.5687 BFGS: 116 16:39:37 -164.360112 1.6253 BFGS: 117 16:39:37 -164.586285 1.6892 BFGS: 118 16:39:37 -164.881870 1.7626 BFGS: 119 16:39:37 -165.297599 2.1292 BFGS: 120 16:39:37 -165.927615 2.8187 BFGS: 121 16:39:37 -166.705833 3.5846 BFGS: 122 16:39:37 -167.597265 4.3361 BFGS: 123 16:39:37 -168.594240 5.0307 BFGS: 124 16:39:37 -169.683691 5.6392 BFGS: 125 16:39:37 -170.849383 6.1465 BFGS: 126 16:39:37 -172.074430 6.5505 BFGS: 127 16:39:37 -173.343152 6.8584 BFGS: 128 16:39:37 -174.641699 7.0813 BFGS: 129 16:39:37 -175.954366 7.2316 BFGS: 130 16:39:37 -177.269577 7.3106 BFGS: 131 16:39:37 -178.577476 7.3395 BFGS: 132 16:39:37 -179.877851 7.2832 BFGS: 133 16:39:37 -181.157467 7.1147 BFGS: 134 16:39:37 -182.404364 6.8382 BFGS: 135 16:39:37 -183.599912 6.4550 BFGS: 136 16:39:37 -184.732056 5.9789 BFGS: 137 16:39:37 -185.794652 5.4274 BFGS: 138 16:39:37 -186.787415 4.8191 BFGS: 139 16:39:37 -187.711248 4.1759 BFGS: 140 16:39:37 -188.489860 3.5871 BFGS: 141 16:39:38 -189.106596 3.1054 BFGS: 142 16:39:38 -189.617183 2.7097 BFGS: 143 16:39:38 -190.056672 2.3799 BFGS: 144 16:39:38 -190.447521 2.2655 BFGS: 145 16:39:38 -190.804407 2.2830 BFGS: 146 16:39:38 -191.137032 2.3005 BFGS: 147 16:39:38 -191.452141 2.3171 BFGS: 148 16:39:38 -191.754609 2.3334 BFGS: 149 16:39:38 -192.048202 2.3497 BFGS: 150 16:39:38 -192.335815 2.3680 BFGS: 151 16:39:38 -192.620016 2.3848 BFGS: 152 16:39:38 -192.902593 2.4022 BFGS: 153 16:39:38 -193.185073 2.4202 BFGS: 154 16:39:38 -193.468428 2.4389 BFGS: 155 16:39:38 -193.751934 2.4587 BFGS: 156 16:39:38 -194.036448 2.4802 BFGS: 157 16:39:38 -194.322448 2.5037 BFGS: 158 16:39:38 -194.610506 2.5271 BFGS: 159 16:39:38 -194.900343 2.5494 BFGS: 160 16:39:38 -195.192365 2.5741 BFGS: 161 16:39:38 -195.487038 2.5960 BFGS: 162 16:39:38 -195.784850 2.6208 BFGS: 163 16:39:38 -196.086384 2.6445 BFGS: 164 16:39:38 -196.392348 2.6697 BFGS: 165 16:39:38 -196.703568 2.6958 BFGS: 166 16:39:38 -197.021069 2.7226 BFGS: 167 16:39:38 -197.346140 2.7509 BFGS: 168 16:39:39 -197.680516 2.9259 BFGS: 169 16:39:39 -198.026166 3.1190 BFGS: 170 16:39:39 -198.385821 3.3244 BFGS: 171 16:39:39 -198.763229 3.5439 BFGS: 172 16:39:39 -199.163430 3.7796 BFGS: 173 16:39:39 -199.593525 4.0343 BFGS: 174 16:39:39 -200.063839 4.3113 BFGS: 175 16:39:39 -200.589758 4.6150 BFGS: 176 16:39:39 -201.194890 4.9507 BFGS: 177 16:39:39 -201.915244 5.3235 BFGS: 178 16:39:39 -202.806957 5.7380 BFGS: 179 16:39:39 -203.840226 6.1522 BFGS: 180 16:39:39 -204.946937 6.5242 BFGS: 181 16:39:39 -206.136690 6.8624 BFGS: 182 16:39:39 -207.416319 7.1798 BFGS: 183 16:39:39 -208.787131 7.4540 BFGS: 184 16:39:39 -210.243196 7.6840 BFGS: 185 16:39:39 -211.767095 7.8683 BFGS: 186 16:39:39 -213.275124 8.0016 BFGS: 187 16:39:39 -214.753781 8.0937 BFGS: 188 16:39:39 -216.198773 8.1461 BFGS: 189 16:39:39 -217.491115 8.1624 BFGS: 190 16:39:39 -218.586959 8.1537 BFGS: 191 16:39:39 -219.565961 8.1298 BFGS: 192 16:39:39 -220.484330 8.0955 BFGS: 193 16:39:39 -221.430188 8.0553 BFGS: 194 16:39:40 -222.406704 8.0073 BFGS: 195 16:39:40 -223.418098 7.9498 BFGS: 196 16:39:40 -224.473851 7.8808 BFGS: 197 16:39:40 -225.584734 7.8202 BFGS: 198 16:39:40 -226.762533 7.7566 BFGS: 199 16:39:40 -228.022671 7.6682 BFGS: 200 16:39:40 -229.379382 7.5584 BFGS: 201 16:39:40 -230.790472 7.4252 BFGS: 202 16:39:40 -232.184196 7.2731 BFGS: 203 16:39:40 -233.552851 7.1020 BFGS: 204 16:39:40 -234.886696 6.9126 BFGS: 205 16:39:40 -236.170565 6.7076 BFGS: 206 16:39:40 -237.372772 6.4955 BFGS: 207 16:39:40 -238.462023 6.2899 BFGS: 208 16:39:40 -239.931608 5.9974 BFGS: 209 16:39:40 -241.343875 5.6889 BFGS: 210 16:39:40 -242.692810 5.3687 BFGS: 211 16:39:40 -243.989722 5.0367 BFGS: 212 16:39:40 -245.246730 4.8220 BFGS: 213 16:39:40 -246.472611 4.7292 BFGS: 214 16:39:40 -247.684182 4.6160 BFGS: 215 16:39:40 -248.899950 4.6285 BFGS: 216 16:39:40 -250.146487 4.7402 BFGS: 217 16:39:40 -251.459947 4.8371 BFGS: 218 16:39:40 -252.673020 4.9045 BFGS: 219 16:39:40 -253.764185 4.9448 BFGS: 220 16:39:40 -254.754046 4.9594 BFGS: 221 16:39:41 -255.655686 4.9481 BFGS: 222 16:39:41 -256.479344 4.9159 BFGS: 223 16:39:41 -257.239448 4.8673 BFGS: 224 16:39:41 -257.948595 4.8118 BFGS: 225 16:39:41 -258.613660 4.7474 BFGS: 226 16:39:41 -259.240765 4.6799 BFGS: 227 16:39:41 -259.835456 4.6114 BFGS: 228 16:39:41 -260.403105 4.5432 BFGS: 229 16:39:41 -260.948619 4.4797 BFGS: 230 16:39:41 -261.476042 4.4171 BFGS: 231 16:39:41 -261.988932 4.3611 BFGS: 232 16:39:41 -262.490493 4.3123 BFGS: 233 16:39:41 -262.984757 4.2743 BFGS: 234 16:39:41 -263.473500 4.2470 BFGS: 235 16:39:41 -263.958888 4.2326 BFGS: 236 16:39:41 -264.442632 4.2313 BFGS: 237 16:39:41 -264.925098 4.2416 BFGS: 238 16:39:41 -265.406379 4.2609 BFGS: 239 16:39:41 -265.887346 4.2839 BFGS: 240 16:39:41 -266.371390 4.3195 BFGS: 241 16:39:41 -266.863786 4.3659 BFGS: 242 16:39:41 -267.361896 4.4122 BFGS: 243 16:39:41 -267.915070 4.5274 BFGS: 244 16:39:41 -268.362764 4.5009 BFGS: 245 16:39:41 -268.827876 4.4951 BFGS: 246 16:39:42 -269.365834 4.5180 BFGS: 247 16:39:42 -270.000688 4.5078 BFGS: 248 16:39:42 -270.664370 4.4431 BFGS: 249 16:39:42 -271.380272 5.0949 BFGS: 250 16:39:42 -272.130444 5.6603 BFGS: 251 16:39:42 -272.899632 6.0673 BFGS: 252 16:39:42 -273.676623 6.3111 BFGS: 253 16:39:42 -274.453021 6.3992 BFGS: 254 16:39:42 -275.222800 6.3554 BFGS: 255 16:39:42 -275.985770 6.1929 BFGS: 256 16:39:42 -276.764251 5.9308 BFGS: 257 16:39:42 -277.567088 5.5884 BFGS: 258 16:39:42 -278.399069 5.1810 BFGS: 259 16:39:42 -279.258451 4.7183 BFGS: 260 16:39:42 -280.140970 4.5270 BFGS: 261 16:39:42 -280.948632 4.5279 BFGS: 262 16:39:42 -281.637769 4.5261 BFGS: 263 16:39:42 -282.240651 4.5220 BFGS: 264 16:39:42 -282.771554 4.5157 BFGS: 265 16:39:42 -283.249381 4.5074 BFGS: 266 16:39:42 -283.683836 4.4970 BFGS: 267 16:39:42 -284.083785 4.4846 BFGS: 268 16:39:42 -284.456663 4.4701 BFGS: 269 16:39:42 -284.807938 4.4536 BFGS: 270 16:39:43 -285.141518 4.4352 BFGS: 271 16:39:43 -285.461131 4.4147 BFGS: 272 16:39:43 -285.770055 4.3924 BFGS: 273 16:39:43 -286.070659 4.3683 BFGS: 274 16:39:43 -286.363762 4.3433 BFGS: 275 16:39:43 -286.653647 4.3163 BFGS: 276 16:39:43 -286.941516 4.4166 BFGS: 277 16:39:43 -287.228918 4.6390 BFGS: 278 16:39:43 -287.527606 4.8773 BFGS: 279 16:39:43 -287.850279 5.1234 BFGS: 280 16:39:43 -288.219492 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16:41:00 -425.644490 0.2342 BFGS: 1986 16:41:01 -425.644490 0.2342 BFGS: 1987 16:41:01 -425.644490 0.2342 BFGS: 1988 16:41:01 -425.644490 0.2342 BFGS: 1989 16:41:01 -425.644490 0.2342 BFGS: 1990 16:41:01 -425.644490 0.2342 BFGS: 1991 16:41:01 -425.644490 0.2342 BFGS: 1992 16:41:01 -425.644490 0.2342 BFGS: 1993 16:41:01 -425.644490 0.2342 BFGS: 1994 16:41:01 -425.644490 0.2342 BFGS: 1995 16:41:01 -425.644490 0.2342 BFGS: 1996 16:41:01 -425.644490 0.2342 BFGS: 1997 16:41:01 -425.644490 0.2342 BFGS: 1998 16:41:01 -425.644490 0.2342 BFGS: 1999 16:41:01 -425.644490 0.2342 BFGS: 2000 16:41:01 -425.644490 0.2342 BFGS: 2001 16:41:01 -425.644490 0.2342 BFGS: 2002 16:41:01 -425.644490 0.2342 BFGS: 2003 16:41:01 -425.644490 0.2342 BFGS: 2004 16:41:01 -425.644490 0.2342 BFGS: 2005 16:41:01 -425.644490 0.2342 BFGS: 2006 16:41:01 -425.644490 0.2342 BFGS: 2007 16:41:01 -425.644490 0.2342 BFGS: 2008 16:41:02 -425.644490 0.2342 BFGS: 2009 16:41:02 -425.644490 0.2342 BFGS: 2010 16:41:02 -425.644490 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0.2342 BFGS: 6550 16:44:30 -425.644490 0.2342 BFGS: 6551 16:44:30 -425.644490 0.2342 BFGS: 6552 16:44:30 -425.644490 0.2342 BFGS: 6553 16:44:30 -425.644490 0.2342 BFGS: 6554 16:44:30 -425.644490 0.2342 BFGS: 6555 16:44:30 -425.644490 0.2342 BFGS: 6556 16:44:31 -425.644490 0.2342 BFGS: 6557 16:44:31 -425.644490 0.2342 BFGS: 6558 16:44:31 -425.644490 0.2342 BFGS: 6559 16:44:31 -425.644490 0.2342 BFGS: 6560 16:44:31 -425.644490 0.2342 BFGS: 6561 16:44:31 -425.644490 0.2342 BFGS: 6562 16:44:31 -425.644490 0.2342 BFGS: 6563 16:44:31 -425.644490 0.2342 BFGS: 6564 16:44:31 -425.644490 0.2342 BFGS: 6565 16:44:31 -425.644490 0.2342 BFGS: 6566 16:44:31 -425.644490 0.2342 BFGS: 6567 16:44:31 -425.644490 0.2342 BFGS: 6568 16:44:31 -425.644490 0.2342 BFGS: 6569 16:44:31 -425.644490 0.2342 BFGS: 6570 16:44:31 -425.644490 0.2342 BFGS: 6571 16:44:31 -425.644490 0.2342 BFGS: 6572 16:44:31 -425.644490 0.2342 BFGS: 6573 16:44:31 -425.644490 0.2342 BFGS: 6574 16:44:31 -425.644490 0.2342 BFGS: 6575 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0.2342 BFGS: 7060 16:44:54 -425.644490 0.2342 BFGS: 7061 16:44:54 -425.644490 0.2342 BFGS: 7062 16:44:54 -425.644490 0.2342 BFGS: 7063 16:44:54 -425.644490 0.2342 BFGS: 7064 16:44:54 -425.644490 0.2342 BFGS: 7065 16:44:54 -425.644490 0.2342 BFGS: 7066 16:44:54 -425.644490 0.2342 BFGS: 7067 16:44:54 -425.644490 0.2342 BFGS: 7068 16:44:54 -425.644490 0.2342 BFGS: 7069 16:44:54 -425.644490 0.2342 BFGS: 7070 16:44:54 -425.644490 0.2342 BFGS: 7071 16:44:54 -425.644490 0.2342 BFGS: 7072 16:44:54 -425.644490 0.2342 BFGS: 7073 16:44:54 -425.644490 0.2342 BFGS: 7074 16:44:54 -425.644490 0.2342 BFGS: 7075 16:44:54 -425.644490 0.2342 BFGS: 7076 16:44:54 -425.644490 0.2342 BFGS: 7077 16:44:54 -425.644490 0.2342 BFGS: 7078 16:44:54 -425.644490 0.2342 BFGS: 7079 16:44:55 -425.644490 0.2342 BFGS: 7080 16:44:55 -425.644490 0.2342 BFGS: 7081 16:44:55 -425.644490 0.2342 BFGS: 7082 16:44:55 -425.644490 0.2342 BFGS: 7083 16:44:55 -425.644490 0.2342 BFGS: 7084 16:44:55 -425.644490 0.2342 BFGS: 7085 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0.2342 BFGS: 7111 16:44:56 -425.644490 0.2342 BFGS: 7112 16:44:56 -425.644490 0.2342 BFGS: 7113 16:44:56 -425.644490 0.2342 BFGS: 7114 16:44:56 -425.644490 0.2342 BFGS: 7115 16:44:56 -425.644490 0.2342 BFGS: 7116 16:44:56 -425.644490 0.2342 BFGS: 7117 16:44:56 -425.644490 0.2342 BFGS: 7118 16:44:56 -425.644490 0.2342 BFGS: 7119 16:44:56 -425.644490 0.2342 BFGS: 7120 16:44:56 -425.644490 0.2342 BFGS: 7121 16:44:56 -425.644490 0.2342 BFGS: 7122 16:44:57 -425.644490 0.2342 BFGS: 7123 16:44:57 -425.644490 0.2342 BFGS: 7124 16:44:57 -425.644490 0.2342 BFGS: 7125 16:44:57 -425.644490 0.2342 BFGS: 7126 16:44:57 -425.644490 0.2342 BFGS: 7127 16:44:57 -425.644490 0.2342 BFGS: 7128 16:44:57 -425.644490 0.2342 BFGS: 7129 16:44:57 -425.644490 0.2342 BFGS: 7130 16:44:57 -425.644490 0.2342 BFGS: 7131 16:44:57 -425.644490 0.2342 BFGS: 7132 16:44:57 -425.644490 0.2342 BFGS: 7133 16:44:57 -425.644490 0.2342 BFGS: 7134 16:44:57 -425.644490 0.2342 BFGS: 7135 16:44:57 -425.644490 0.2342 BFGS: 7136 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0.2342 BFGS: 7162 16:44:58 -425.644490 0.2342 BFGS: 7163 16:44:58 -425.644490 0.2342 BFGS: 7164 16:44:58 -425.644490 0.2342 BFGS: 7165 16:44:59 -425.644490 0.2342 BFGS: 7166 16:44:59 -425.644490 0.2342 BFGS: 7167 16:44:59 -425.644490 0.2342 BFGS: 7168 16:44:59 -425.644490 0.2342 BFGS: 7169 16:44:59 -425.644490 0.2342 BFGS: 7170 16:44:59 -425.644490 0.2342 BFGS: 7171 16:44:59 -425.644490 0.2342 BFGS: 7172 16:44:59 -425.644490 0.2342 BFGS: 7173 16:44:59 -425.644490 0.2342 BFGS: 7174 16:44:59 -425.644490 0.2342 BFGS: 7175 16:44:59 -425.644490 0.2342 BFGS: 7176 16:44:59 -425.644490 0.2342 BFGS: 7177 16:44:59 -425.644490 0.2342 BFGS: 7178 16:44:59 -425.644490 0.2342 BFGS: 7179 16:44:59 -425.644490 0.2342 BFGS: 7180 16:44:59 -425.644490 0.2342 BFGS: 7181 16:44:59 -425.644490 0.2342 BFGS: 7182 16:44:59 -425.644490 0.2342 BFGS: 7183 16:44:59 -425.644490 0.2342 BFGS: 7184 16:44:59 -425.644490 0.2342 BFGS: 7185 16:44:59 -425.644490 0.2342 BFGS: 7186 16:44:59 -425.644490 0.2342 BFGS: 7187 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0.2342 BFGS: 7213 16:45:01 -425.644490 0.2342 BFGS: 7214 16:45:01 -425.644490 0.2342 BFGS: 7215 16:45:01 -425.644490 0.2342 BFGS: 7216 16:45:01 -425.644490 0.2342 BFGS: 7217 16:45:01 -425.644490 0.2342 BFGS: 7218 16:45:01 -425.644490 0.2342 BFGS: 7219 16:45:01 -425.644490 0.2342 BFGS: 7220 16:45:01 -425.644490 0.2342 BFGS: 7221 16:45:01 -425.644490 0.2342 BFGS: 7222 16:45:01 -425.644490 0.2342 BFGS: 7223 16:45:01 -425.644490 0.2342 BFGS: 7224 16:45:01 -425.644490 0.2342 BFGS: 7225 16:45:01 -425.644490 0.2342 BFGS: 7226 16:45:01 -425.644490 0.2342 BFGS: 7227 16:45:01 -425.644490 0.2342 BFGS: 7228 16:45:01 -425.644490 0.2342 BFGS: 7229 16:45:01 -425.644490 0.2342 BFGS: 7230 16:45:01 -425.644490 0.2342 BFGS: 7231 16:45:02 -425.644490 0.2342 BFGS: 7232 16:45:02 -425.644490 0.2342 BFGS: 7233 16:45:02 -425.644490 0.2342 BFGS: 7234 16:45:02 -425.644490 0.2342 BFGS: 7235 16:45:02 -425.644490 0.2342 BFGS: 7236 16:45:02 -425.644490 0.2342 BFGS: 7237 16:45:02 -425.644490 0.2342 BFGS: 7238 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0.2342 BFGS: 7264 16:45:03 -425.644490 0.2342 BFGS: 7265 16:45:03 -425.644490 0.2342 BFGS: 7266 16:45:03 -425.644490 0.2342 BFGS: 7267 16:45:03 -425.644490 0.2342 BFGS: 7268 16:45:03 -425.644490 0.2342 BFGS: 7269 16:45:03 -425.644490 0.2342 BFGS: 7270 16:45:03 -425.644490 0.2342 BFGS: 7271 16:45:03 -425.644490 0.2342 BFGS: 7272 16:45:03 -425.644490 0.2342 BFGS: 7273 16:45:03 -425.644490 0.2342 BFGS: 7274 16:45:04 -425.644490 0.2342 BFGS: 7275 16:45:04 -425.644490 0.2342 BFGS: 7276 16:45:04 -425.644490 0.2342 BFGS: 7277 16:45:04 -425.644490 0.2342 BFGS: 7278 16:45:04 -425.644490 0.2342 BFGS: 7279 16:45:04 -425.644490 0.2342 BFGS: 7280 16:45:04 -425.644490 0.2342 BFGS: 7281 16:45:04 -425.644490 0.2342 BFGS: 7282 16:45:04 -425.644490 0.2342 BFGS: 7283 16:45:04 -425.644490 0.2342 BFGS: 7284 16:45:04 -425.644490 0.2342 BFGS: 7285 16:45:04 -425.644490 0.2342 BFGS: 7286 16:45:04 -425.644490 0.2342 BFGS: 7287 16:45:04 -425.644490 0.2342 BFGS: 7288 16:45:04 -425.644490 0.2342 BFGS: 7289 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0.2342 BFGS: 8131 16:45:43 -425.644490 0.2342 BFGS: 8132 16:45:43 -425.644490 0.2342 BFGS: 8133 16:45:43 -425.644490 0.2342 BFGS: 8134 16:45:43 -425.644490 0.2342 BFGS: 8135 16:45:43 -425.644490 0.2342 BFGS: 8136 16:45:43 -425.644490 0.2342 BFGS: 8137 16:45:43 -425.644490 0.2342 BFGS: 8138 16:45:43 -425.644490 0.2342 BFGS: 8139 16:45:43 -425.644490 0.2342 BFGS: 8140 16:45:43 -425.644490 0.2342 BFGS: 8141 16:45:43 -425.644490 0.2342 BFGS: 8142 16:45:43 -425.644490 0.2342 BFGS: 8143 16:45:43 -425.644490 0.2342 BFGS: 8144 16:45:43 -425.644490 0.2342 BFGS: 8145 16:45:44 -425.644490 0.2342 BFGS: 8146 16:45:44 -425.644490 0.2342 BFGS: 8147 16:45:44 -425.644490 0.2342 BFGS: 8148 16:45:44 -425.644490 0.2342 BFGS: 8149 16:45:44 -425.644490 0.2342 BFGS: 8150 16:45:44 -425.644490 0.2342 BFGS: 8151 16:45:44 -425.644490 0.2342 BFGS: 8152 16:45:44 -425.644490 0.2342 BFGS: 8153 16:45:44 -425.644490 0.2342 BFGS: 8154 16:45:44 -425.644490 0.2342 BFGS: 8155 16:45:44 -425.644490 0.2342 BFGS: 8156 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0.2342 BFGS: 8233 16:45:48 -425.644490 0.2342 BFGS: 8234 16:45:48 -425.644490 0.2342 BFGS: 8235 16:45:48 -425.644490 0.2342 BFGS: 8236 16:45:48 -425.644490 0.2342 BFGS: 8237 16:45:48 -425.644490 0.2342 BFGS: 8238 16:45:48 -425.644490 0.2342 BFGS: 8239 16:45:48 -425.644490 0.2342 BFGS: 8240 16:45:48 -425.644490 0.2342 BFGS: 8241 16:45:48 -425.644490 0.2342 BFGS: 8242 16:45:48 -425.644490 0.2342 BFGS: 8243 16:45:48 -425.644490 0.2342 BFGS: 8244 16:45:48 -425.644490 0.2342 BFGS: 8245 16:45:48 -425.644490 0.2342 BFGS: 8246 16:45:48 -425.644490 0.2342 BFGS: 8247 16:45:48 -425.644490 0.2342 BFGS: 8248 16:45:48 -425.644490 0.2342 BFGS: 8249 16:45:48 -425.644490 0.2342 BFGS: 8250 16:45:48 -425.644490 0.2342 BFGS: 8251 16:45:48 -425.644490 0.2342 BFGS: 8252 16:45:48 -425.644490 0.2342 BFGS: 8253 16:45:49 -425.644490 0.2342 BFGS: 8254 16:45:49 -425.644490 0.2342 BFGS: 8255 16:45:49 -425.644490 0.2342 BFGS: 8256 16:45:49 -425.644490 0.2342 BFGS: 8257 16:45:49 -425.644490 0.2342 BFGS: 8258 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0.2342 BFGS: 8386 16:45:55 -425.644490 0.2342 BFGS: 8387 16:45:55 -425.644490 0.2342 BFGS: 8388 16:45:55 -425.644490 0.2342 BFGS: 8389 16:45:55 -425.644490 0.2342 BFGS: 8390 16:45:55 -425.644490 0.2342 BFGS: 8391 16:45:55 -425.644490 0.2342 BFGS: 8392 16:45:55 -425.644490 0.2342 BFGS: 8393 16:45:55 -425.644490 0.2342 BFGS: 8394 16:45:55 -425.644490 0.2342 BFGS: 8395 16:45:55 -425.644490 0.2342 BFGS: 8396 16:45:55 -425.644490 0.2342 BFGS: 8397 16:45:55 -425.644490 0.2342 BFGS: 8398 16:45:55 -425.644490 0.2342 BFGS: 8399 16:45:55 -425.644490 0.2342 BFGS: 8400 16:45:55 -425.644490 0.2342 BFGS: 8401 16:45:55 -425.644490 0.2342 BFGS: 8402 16:45:55 -425.644490 0.2342 BFGS: 8403 16:45:55 -425.644490 0.2342 BFGS: 8404 16:45:55 -425.644490 0.2342 BFGS: 8405 16:45:55 -425.644490 0.2342 BFGS: 8406 16:45:56 -425.644490 0.2342 BFGS: 8407 16:45:56 -425.644490 0.2342 BFGS: 8408 16:45:56 -425.644490 0.2342 BFGS: 8409 16:45:56 -425.644490 0.2342 BFGS: 8410 16:45:56 -425.644490 0.2342 BFGS: 8411 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0.2342 BFGS: 8437 16:45:57 -425.644490 0.2342 BFGS: 8438 16:45:57 -425.644490 0.2342 BFGS: 8439 16:45:57 -425.644490 0.2342 BFGS: 8440 16:45:57 -425.644490 0.2342 BFGS: 8441 16:45:57 -425.644490 0.2342 BFGS: 8442 16:45:57 -425.644490 0.2342 BFGS: 8443 16:45:57 -425.644490 0.2342 BFGS: 8444 16:45:57 -425.644490 0.2342 BFGS: 8445 16:45:57 -425.644490 0.2342 BFGS: 8446 16:45:57 -425.644490 0.2342 BFGS: 8447 16:45:57 -425.644490 0.2342 BFGS: 8448 16:45:57 -425.644490 0.2342 BFGS: 8449 16:45:57 -425.644490 0.2342 BFGS: 8450 16:45:58 -425.644490 0.2342 BFGS: 8451 16:45:58 -425.644490 0.2342 BFGS: 8452 16:45:58 -425.644490 0.2342 BFGS: 8453 16:45:58 -425.644490 0.2342 BFGS: 8454 16:45:58 -425.644490 0.2342 BFGS: 8455 16:45:58 -425.644490 0.2342 BFGS: 8456 16:45:58 -425.644490 0.2342 BFGS: 8457 16:45:58 -425.644490 0.2342 BFGS: 8458 16:45:58 -425.644490 0.2342 BFGS: 8459 16:45:58 -425.644490 0.2342 BFGS: 8460 16:45:58 -425.644490 0.2342 BFGS: 8461 16:45:58 -425.644490 0.2342 BFGS: 8462 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0.2342 BFGS: 8488 16:45:59 -425.644490 0.2342 BFGS: 8489 16:45:59 -425.644490 0.2342 BFGS: 8490 16:45:59 -425.644490 0.2342 BFGS: 8491 16:45:59 -425.644490 0.2342 BFGS: 8492 16:45:59 -425.644490 0.2342 BFGS: 8493 16:46:00 -425.644490 0.2342 BFGS: 8494 16:46:00 -425.644490 0.2342 BFGS: 8495 16:46:00 -425.644490 0.2342 BFGS: 8496 16:46:00 -425.644490 0.2342 BFGS: 8497 16:46:00 -425.644490 0.2342 BFGS: 8498 16:46:00 -425.644490 0.2342 BFGS: 8499 16:46:00 -425.644490 0.2342 BFGS: 8500 16:46:00 -425.644490 0.2342 BFGS: 8501 16:46:00 -425.644490 0.2342 BFGS: 8502 16:46:00 -425.644490 0.2342 BFGS: 8503 16:46:00 -425.644490 0.2342 BFGS: 8504 16:46:00 -425.644490 0.2342 BFGS: 8505 16:46:00 -425.644490 0.2342 BFGS: 8506 16:46:00 -425.644490 0.2342 BFGS: 8507 16:46:00 -425.644490 0.2342 BFGS: 8508 16:46:00 -425.644490 0.2342 BFGS: 8509 16:46:00 -425.644490 0.2342 BFGS: 8510 16:46:00 -425.644490 0.2342 BFGS: 8511 16:46:00 -425.644490 0.2342 BFGS: 8512 16:46:00 -425.644490 0.2342 BFGS: 8513 16:46:00 -425.644490 0.2342 BFGS: 8514 16:46:00 -425.644490 0.2342 BFGS: 8515 16:46:01 -425.644490 0.2342 BFGS: 8516 16:46:01 -425.644490 0.2342 BFGS: 8517 16:46:01 -425.644490 0.2342 BFGS: 8518 16:46:01 -425.644490 0.2342 BFGS: 8519 16:46:01 -425.644490 0.2342 BFGS: 8520 16:46:01 -425.644490 0.2342 BFGS: 8521 16:46:01 -425.644490 0.2342 BFGS: 8522 16:46:01 -425.644490 0.2342 BFGS: 8523 16:46:01 -425.644490 0.2342 BFGS: 8524 16:46:01 -425.644490 0.2342 BFGS: 8525 16:46:01 -425.644490 0.2342 BFGS: 8526 16:46:01 -425.644490 0.2342 BFGS: 8527 16:46:01 -425.644490 0.2342 BFGS: 8528 16:46:01 -425.644490 0.2342 BFGS: 8529 16:46:01 -425.644490 0.2342 BFGS: 8530 16:46:01 -425.644490 0.2342 BFGS: 8531 16:46:01 -425.644490 0.2342 BFGS: 8532 16:46:01 -425.644490 0.2342 BFGS: 8533 16:46:01 -425.644490 0.2342 BFGS: 8534 16:46:01 -425.644490 0.2342 BFGS: 8535 16:46:01 -425.644490 0.2342 BFGS: 8536 16:46:01 -425.644490 0.2342 BFGS: 8537 16:46:02 -425.644490 0.2342 BFGS: 8538 16:46:02 -425.644490 0.2342 BFGS: 8539 16:46:02 -425.644490 0.2342 BFGS: 8540 16:46:02 -425.644490 0.2342 BFGS: 8541 16:46:02 -425.644490 0.2342 BFGS: 8542 16:46:02 -425.644490 0.2342 BFGS: 8543 16:46:02 -425.644490 0.2342 BFGS: 8544 16:46:02 -425.644490 0.2342 BFGS: 8545 16:46:02 -425.644490 0.2342 BFGS: 8546 16:46:02 -425.644490 0.2342 BFGS: 8547 16:46:02 -425.644490 0.2342 BFGS: 8548 16:46:02 -425.644490 0.2342 BFGS: 8549 16:46:02 -425.644490 0.2342 BFGS: 8550 16:46:02 -425.644490 0.2342 BFGS: 8551 16:46:02 -425.644490 0.2342 BFGS: 8552 16:46:02 -425.644490 0.2342 BFGS: 8553 16:46:02 -425.644490 0.2342 BFGS: 8554 16:46:02 -425.644490 0.2342 BFGS: 8555 16:46:02 -425.644490 0.2342 BFGS: 8556 16:46:02 -425.644490 0.2342 BFGS: 8557 16:46:02 -425.644490 0.2342 BFGS: 8558 16:46:03 -425.644490 0.2342 BFGS: 8559 16:46:03 -425.644490 0.2342 BFGS: 8560 16:46:03 -425.644490 0.2342 BFGS: 8561 16:46:03 -425.644490 0.2342 BFGS: 8562 16:46:03 -425.644490 0.2342 BFGS: 8563 16:46:03 -425.644490 0.2342 BFGS: 8564 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0.2342 BFGS: 8590 16:46:04 -425.644490 0.2342 BFGS: 8591 16:46:04 -425.644490 0.2342 BFGS: 8592 16:46:04 -425.644490 0.2342 BFGS: 8593 16:46:04 -425.644490 0.2342 BFGS: 8594 16:46:04 -425.644490 0.2342 BFGS: 8595 16:46:04 -425.644490 0.2342 BFGS: 8596 16:46:04 -425.644490 0.2342 BFGS: 8597 16:46:04 -425.644490 0.2342 BFGS: 8598 16:46:04 -425.644490 0.2342 BFGS: 8599 16:46:04 -425.644490 0.2342 BFGS: 8600 16:46:04 -425.644490 0.2342 BFGS: 8601 16:46:04 -425.644490 0.2342 BFGS: 8602 16:46:05 -425.644490 0.2342 BFGS: 8603 16:46:05 -425.644490 0.2342 BFGS: 8604 16:46:05 -425.644490 0.2342 BFGS: 8605 16:46:05 -425.644490 0.2342 BFGS: 8606 16:46:05 -425.644490 0.2342 BFGS: 8607 16:46:05 -425.644490 0.2342 BFGS: 8608 16:46:05 -425.644490 0.2342 BFGS: 8609 16:46:05 -425.644490 0.2342 BFGS: 8610 16:46:05 -425.644490 0.2342 BFGS: 8611 16:46:05 -425.644490 0.2342 BFGS: 8612 16:46:05 -425.644490 0.2342 BFGS: 8613 16:46:05 -425.644490 0.2342 BFGS: 8614 16:46:05 -425.644490 0.2342 BFGS: 8615 16:46:05 -425.644490 0.2342 BFGS: 8616 16:46:05 -425.644490 0.2342 BFGS: 8617 16:46:05 -425.644490 0.2342 BFGS: 8618 16:46:05 -425.644490 0.2342 BFGS: 8619 16:46:05 -425.644490 0.2342 BFGS: 8620 16:46:05 -425.644490 0.2342 BFGS: 8621 16:46:05 -425.644490 0.2342 BFGS: 8622 16:46:05 -425.644490 0.2342 BFGS: 8623 16:46:05 -425.644490 0.2342 BFGS: 8624 16:46:06 -425.644490 0.2342 BFGS: 8625 16:46:06 -425.644490 0.2342 BFGS: 8626 16:46:06 -425.644490 0.2342 BFGS: 8627 16:46:06 -425.644490 0.2342 BFGS: 8628 16:46:06 -425.644490 0.2342 BFGS: 8629 16:46:06 -425.644490 0.2342 BFGS: 8630 16:46:06 -425.644490 0.2342 BFGS: 8631 16:46:06 -425.644490 0.2342 BFGS: 8632 16:46:06 -425.644490 0.2342 BFGS: 8633 16:46:06 -425.644490 0.2342 BFGS: 8634 16:46:06 -425.644490 0.2342 BFGS: 8635 16:46:06 -425.644490 0.2342 BFGS: 8636 16:46:06 -425.644490 0.2342 BFGS: 8637 16:46:06 -425.644490 0.2342 BFGS: 8638 16:46:06 -425.644490 0.2342 BFGS: 8639 16:46:06 -425.644490 0.2342 BFGS: 8640 16:46:06 -425.644490 0.2342 BFGS: 8641 16:46:06 -425.644490 0.2342 BFGS: 8642 16:46:06 -425.644490 0.2342 BFGS: 8643 16:46:06 -425.644490 0.2342 BFGS: 8644 16:46:06 -425.644490 0.2342 BFGS: 8645 16:46:07 -425.644490 0.2342 BFGS: 8646 16:46:07 -425.644490 0.2342 BFGS: 8647 16:46:07 -425.644490 0.2342 BFGS: 8648 16:46:07 -425.644490 0.2342 BFGS: 8649 16:46:07 -425.644490 0.2342 BFGS: 8650 16:46:07 -425.644490 0.2342 BFGS: 8651 16:46:07 -425.644490 0.2342 BFGS: 8652 16:46:07 -425.644490 0.2342 BFGS: 8653 16:46:07 -425.644490 0.2342 BFGS: 8654 16:46:07 -425.644490 0.2342 BFGS: 8655 16:46:07 -425.644490 0.2342 BFGS: 8656 16:46:07 -425.644490 0.2342 BFGS: 8657 16:46:07 -425.644490 0.2342 BFGS: 8658 16:46:07 -425.644490 0.2342 BFGS: 8659 16:46:07 -425.644490 0.2342 BFGS: 8660 16:46:07 -425.644490 0.2342 BFGS: 8661 16:46:07 -425.644490 0.2342 BFGS: 8662 16:46:07 -425.644490 0.2342 BFGS: 8663 16:46:07 -425.644490 0.2342 BFGS: 8664 16:46:07 -425.644490 0.2342 BFGS: 8665 16:46:07 -425.644490 0.2342 BFGS: 8666 16:46:07 -425.644490 0.2342 BFGS: 8667 16:46:08 -425.644490 0.2342 BFGS: 8668 16:46:08 -425.644490 0.2342 BFGS: 8669 16:46:08 -425.644490 0.2342 BFGS: 8670 16:46:08 -425.644490 0.2342 BFGS: 8671 16:46:08 -425.644490 0.2342 BFGS: 8672 16:46:08 -425.644490 0.2342 BFGS: 8673 16:46:08 -425.644490 0.2342 BFGS: 8674 16:46:08 -425.644490 0.2342 BFGS: 8675 16:46:08 -425.644490 0.2342 BFGS: 8676 16:46:08 -425.644490 0.2342 BFGS: 8677 16:46:08 -425.644490 0.2342 BFGS: 8678 16:46:08 -425.644490 0.2342 BFGS: 8679 16:46:08 -425.644490 0.2342 BFGS: 8680 16:46:08 -425.644490 0.2342 BFGS: 8681 16:46:08 -425.644490 0.2342 BFGS: 8682 16:46:08 -425.644490 0.2342 BFGS: 8683 16:46:08 -425.644490 0.2342 BFGS: 8684 16:46:08 -425.644490 0.2342 BFGS: 8685 16:46:08 -425.644490 0.2342 BFGS: 8686 16:46:08 -425.644490 0.2342 BFGS: 8687 16:46:08 -425.644490 0.2342 BFGS: 8688 16:46:08 -425.644490 0.2342 BFGS: 8689 16:46:09 -425.644490 0.2342 BFGS: 8690 16:46:09 -425.644490 0.2342 BFGS: 8691 16:46:09 -425.644490 0.2342 BFGS: 8692 16:46:09 -425.644490 0.2342 BFGS: 8693 16:46:09 -425.644490 0.2342 BFGS: 8694 16:46:09 -425.644490 0.2342 BFGS: 8695 16:46:09 -425.644490 0.2342 BFGS: 8696 16:46:09 -425.644490 0.2342 BFGS: 8697 16:46:09 -425.644490 0.2342 BFGS: 8698 16:46:09 -425.644490 0.2342 BFGS: 8699 16:46:09 -425.644490 0.2342 BFGS: 8700 16:46:09 -425.644490 0.2342 BFGS: 8701 16:46:09 -425.644490 0.2342 BFGS: 8702 16:46:09 -425.644490 0.2342 BFGS: 8703 16:46:09 -425.644490 0.2342 BFGS: 8704 16:46:09 -425.644490 0.2342 BFGS: 8705 16:46:09 -425.644490 0.2342 BFGS: 8706 16:46:09 -425.644490 0.2342 BFGS: 8707 16:46:09 -425.644490 0.2342 BFGS: 8708 16:46:09 -425.644490 0.2342 BFGS: 8709 16:46:09 -425.644490 0.2342 BFGS: 8710 16:46:09 -425.644490 0.2342 BFGS: 8711 16:46:10 -425.644490 0.2342 BFGS: 8712 16:46:10 -425.644490 0.2342 BFGS: 8713 16:46:10 -425.644490 0.2342 BFGS: 8714 16:46:10 -425.644490 0.2342 BFGS: 8715 16:46:10 -425.644490 0.2342 BFGS: 8716 16:46:10 -425.644490 0.2342 BFGS: 8717 16:46:10 -425.644490 0.2342 BFGS: 8718 16:46:10 -425.644490 0.2342 BFGS: 8719 16:46:10 -425.644490 0.2342 BFGS: 8720 16:46:10 -425.644490 0.2342 BFGS: 8721 16:46:10 -425.644490 0.2342 BFGS: 8722 16:46:10 -425.644490 0.2342 BFGS: 8723 16:46:10 -425.644490 0.2342 BFGS: 8724 16:46:10 -425.644490 0.2342 BFGS: 8725 16:46:10 -425.644490 0.2342 BFGS: 8726 16:46:10 -425.644490 0.2342 BFGS: 8727 16:46:10 -425.644490 0.2342 BFGS: 8728 16:46:10 -425.644490 0.2342 BFGS: 8729 16:46:10 -425.644490 0.2342 BFGS: 8730 16:46:10 -425.644490 0.2342 BFGS: 8731 16:46:10 -425.644490 0.2342 BFGS: 8732 16:46:10 -425.644490 0.2342 BFGS: 8733 16:46:11 -425.644490 0.2342 BFGS: 8734 16:46:11 -425.644490 0.2342 BFGS: 8735 16:46:11 -425.644490 0.2342 BFGS: 8736 16:46:11 -425.644490 0.2342 BFGS: 8737 16:46:11 -425.644490 0.2342 BFGS: 8738 16:46:11 -425.644490 0.2342 BFGS: 8739 16:46:11 -425.644490 0.2342 BFGS: 8740 16:46:11 -425.644490 0.2342 BFGS: 8741 16:46:11 -425.644490 0.2342 BFGS: 8742 16:46:11 -425.644490 0.2342 BFGS: 8743 16:46:11 -425.644490 0.2342 BFGS: 8744 16:46:11 -425.644490 0.2342 BFGS: 8745 16:46:11 -425.644490 0.2342 BFGS: 8746 16:46:11 -425.644490 0.2342 BFGS: 8747 16:46:11 -425.644490 0.2342 BFGS: 8748 16:46:11 -425.644490 0.2342 BFGS: 8749 16:46:11 -425.644490 0.2342 BFGS: 8750 16:46:11 -425.644490 0.2342 BFGS: 8751 16:46:11 -425.644490 0.2342 BFGS: 8752 16:46:11 -425.644490 0.2342 BFGS: 8753 16:46:11 -425.644490 0.2342 BFGS: 8754 16:46:12 -425.644490 0.2342 BFGS: 8755 16:46:12 -425.644490 0.2342 BFGS: 8756 16:46:12 -425.644490 0.2342 BFGS: 8757 16:46:12 -425.644490 0.2342 BFGS: 8758 16:46:12 -425.644490 0.2342 BFGS: 8759 16:46:12 -425.644490 0.2342 BFGS: 8760 16:46:12 -425.644490 0.2342 BFGS: 8761 16:46:12 -425.644490 0.2342 BFGS: 8762 16:46:12 -425.644490 0.2342 BFGS: 8763 16:46:12 -425.644490 0.2342 BFGS: 8764 16:46:12 -425.644490 0.2342 BFGS: 8765 16:46:12 -425.644490 0.2342 BFGS: 8766 16:46:12 -425.644490 0.2342 BFGS: 8767 16:46:12 -425.644490 0.2342 BFGS: 8768 16:46:12 -425.644490 0.2342 BFGS: 8769 16:46:12 -425.644490 0.2342 BFGS: 8770 16:46:12 -425.644490 0.2342 BFGS: 8771 16:46:12 -425.644490 0.2342 BFGS: 8772 16:46:12 -425.644490 0.2342 BFGS: 8773 16:46:12 -425.644490 0.2342 BFGS: 8774 16:46:12 -425.644490 0.2342 BFGS: 8775 16:46:12 -425.644490 0.2342 BFGS: 8776 16:46:13 -425.644490 0.2342 BFGS: 8777 16:46:13 -425.644490 0.2342 BFGS: 8778 16:46:13 -425.644490 0.2342 BFGS: 8779 16:46:13 -425.644490 0.2342 BFGS: 8780 16:46:13 -425.644490 0.2342 BFGS: 8781 16:46:13 -425.644490 0.2342 BFGS: 8782 16:46:13 -425.644490 0.2342 BFGS: 8783 16:46:13 -425.644490 0.2342 BFGS: 8784 16:46:13 -425.644490 0.2342 BFGS: 8785 16:46:13 -425.644490 0.2342 BFGS: 8786 16:46:13 -425.644490 0.2342 BFGS: 8787 16:46:13 -425.644490 0.2342 BFGS: 8788 16:46:13 -425.644490 0.2342 BFGS: 8789 16:46:13 -425.644490 0.2342 BFGS: 8790 16:46:13 -425.644490 0.2342 BFGS: 8791 16:46:13 -425.644490 0.2342 BFGS: 8792 16:46:13 -425.644490 0.2342 BFGS: 8793 16:46:13 -425.644490 0.2342 BFGS: 8794 16:46:13 -425.644490 0.2342 BFGS: 8795 16:46:13 -425.644490 0.2342 BFGS: 8796 16:46:13 -425.644490 0.2342 BFGS: 8797 16:46:13 -425.644490 0.2342 BFGS: 8798 16:46:14 -425.644490 0.2342 BFGS: 8799 16:46:14 -425.644490 0.2342 BFGS: 8800 16:46:14 -425.644490 0.2342 BFGS: 8801 16:46:14 -425.644490 0.2342 BFGS: 8802 16:46:14 -425.644490 0.2342 BFGS: 8803 16:46:14 -425.644490 0.2342 BFGS: 8804 16:46:14 -425.644490 0.2342 BFGS: 8805 16:46:14 -425.644490 0.2342 BFGS: 8806 16:46:14 -425.644490 0.2342 BFGS: 8807 16:46:14 -425.644490 0.2342 BFGS: 8808 16:46:14 -425.644490 0.2342 BFGS: 8809 16:46:14 -425.644490 0.2342 BFGS: 8810 16:46:14 -425.644490 0.2342 BFGS: 8811 16:46:14 -425.644490 0.2342 BFGS: 8812 16:46:14 -425.644490 0.2342 BFGS: 8813 16:46:14 -425.644490 0.2342 BFGS: 8814 16:46:14 -425.644490 0.2342 BFGS: 8815 16:46:14 -425.644490 0.2342 BFGS: 8816 16:46:14 -425.644490 0.2342 BFGS: 8817 16:46:14 -425.644490 0.2342 BFGS: 8818 16:46:14 -425.644490 0.2342 BFGS: 8819 16:46:14 -425.644490 0.2342 BFGS: 8820 16:46:15 -425.644490 0.2342 BFGS: 8821 16:46:15 -425.644490 0.2342 BFGS: 8822 16:46:15 -425.644490 0.2342 BFGS: 8823 16:46:15 -425.644490 0.2342 BFGS: 8824 16:46:15 -425.644490 0.2342 BFGS: 8825 16:46:15 -425.644490 0.2342 BFGS: 8826 16:46:15 -425.644490 0.2342 BFGS: 8827 16:46:15 -425.644490 0.2342 BFGS: 8828 16:46:15 -425.644490 0.2342 BFGS: 8829 16:46:15 -425.644490 0.2342 BFGS: 8830 16:46:15 -425.644490 0.2342 BFGS: 8831 16:46:15 -425.644490 0.2342 BFGS: 8832 16:46:15 -425.644490 0.2342 BFGS: 8833 16:46:15 -425.644490 0.2342 BFGS: 8834 16:46:15 -425.644490 0.2342 BFGS: 8835 16:46:15 -425.644490 0.2342 BFGS: 8836 16:46:15 -425.644490 0.2342 BFGS: 8837 16:46:15 -425.644490 0.2342 BFGS: 8838 16:46:15 -425.644490 0.2342 BFGS: 8839 16:46:15 -425.644490 0.2342 BFGS: 8840 16:46:15 -425.644490 0.2342 BFGS: 8841 16:46:16 -425.644490 0.2342 BFGS: 8842 16:46:16 -425.644490 0.2342 BFGS: 8843 16:46:16 -425.644490 0.2342 BFGS: 8844 16:46:16 -425.644490 0.2342 BFGS: 8845 16:46:16 -425.644490 0.2342 BFGS: 8846 16:46:16 -425.644490 0.2342 BFGS: 8847 16:46:16 -425.644490 0.2342 BFGS: 8848 16:46:16 -425.644490 0.2342 BFGS: 8849 16:46:16 -425.644490 0.2342 BFGS: 8850 16:46:16 -425.644490 0.2342 BFGS: 8851 16:46:16 -425.644490 0.2342 BFGS: 8852 16:46:16 -425.644490 0.2342 BFGS: 8853 16:46:16 -425.644490 0.2342 BFGS: 8854 16:46:16 -425.644490 0.2342 BFGS: 8855 16:46:16 -425.644490 0.2342 BFGS: 8856 16:46:16 -425.644490 0.2342 BFGS: 8857 16:46:16 -425.644490 0.2342 BFGS: 8858 16:46:16 -425.644490 0.2342 BFGS: 8859 16:46:16 -425.644490 0.2342 BFGS: 8860 16:46:16 -425.644490 0.2342 BFGS: 8861 16:46:16 -425.644490 0.2342 BFGS: 8862 16:46:16 -425.644490 0.2342 BFGS: 8863 16:46:17 -425.644490 0.2342 BFGS: 8864 16:46:17 -425.644490 0.2342 BFGS: 8865 16:46:17 -425.644490 0.2342 BFGS: 8866 16:46:17 -425.644490 0.2342 BFGS: 8867 16:46:17 -425.644490 0.2342 BFGS: 8868 16:46:17 -425.644490 0.2342 BFGS: 8869 16:46:17 -425.644490 0.2342 BFGS: 8870 16:46:17 -425.644490 0.2342 BFGS: 8871 16:46:17 -425.644490 0.2342 BFGS: 8872 16:46:17 -425.644490 0.2342 BFGS: 8873 16:46:17 -425.644490 0.2342 BFGS: 8874 16:46:17 -425.644490 0.2342 BFGS: 8875 16:46:17 -425.644490 0.2342 BFGS: 8876 16:46:17 -425.644490 0.2342 BFGS: 8877 16:46:17 -425.644490 0.2342 BFGS: 8878 16:46:17 -425.644490 0.2342 BFGS: 8879 16:46:17 -425.644490 0.2342 BFGS: 8880 16:46:17 -425.644490 0.2342 BFGS: 8881 16:46:17 -425.644490 0.2342 BFGS: 8882 16:46:17 -425.644490 0.2342 BFGS: 8883 16:46:17 -425.644490 0.2342 BFGS: 8884 16:46:17 -425.644490 0.2342 BFGS: 8885 16:46:18 -425.644490 0.2342 BFGS: 8886 16:46:18 -425.644490 0.2342 BFGS: 8887 16:46:18 -425.644490 0.2342 BFGS: 8888 16:46:18 -425.644490 0.2342 BFGS: 8889 16:46:18 -425.644490 0.2342 BFGS: 8890 16:46:18 -425.644490 0.2342 BFGS: 8891 16:46:18 -425.644490 0.2342 BFGS: 8892 16:46:18 -425.644490 0.2342 BFGS: 8893 16:46:18 -425.644490 0.2342 BFGS: 8894 16:46:18 -425.644490 0.2342 BFGS: 8895 16:46:18 -425.644490 0.2342 BFGS: 8896 16:46:18 -425.644490 0.2342 BFGS: 8897 16:46:18 -425.644490 0.2342 BFGS: 8898 16:46:18 -425.644490 0.2342 BFGS: 8899 16:46:18 -425.644490 0.2342 BFGS: 8900 16:46:18 -425.644490 0.2342 BFGS: 8901 16:46:18 -425.644490 0.2342 BFGS: 8902 16:46:18 -425.644490 0.2342 BFGS: 8903 16:46:18 -425.644490 0.2342 BFGS: 8904 16:46:18 -425.644490 0.2342 BFGS: 8905 16:46:18 -425.644490 0.2342 BFGS: 8906 16:46:19 -425.644490 0.2342 BFGS: 8907 16:46:19 -425.644490 0.2342 BFGS: 8908 16:46:19 -425.644490 0.2342 BFGS: 8909 16:46:19 -425.644490 0.2342 BFGS: 8910 16:46:19 -425.644490 0.2342 BFGS: 8911 16:46:19 -425.644490 0.2342 BFGS: 8912 16:46:19 -425.644490 0.2342 BFGS: 8913 16:46:19 -425.644490 0.2342 BFGS: 8914 16:46:19 -425.644490 0.2342 BFGS: 8915 16:46:19 -425.644490 0.2342 BFGS: 8916 16:46:19 -425.644490 0.2342 BFGS: 8917 16:46:19 -425.644490 0.2342 BFGS: 8918 16:46:19 -425.644490 0.2342 BFGS: 8919 16:46:19 -425.644490 0.2342 BFGS: 8920 16:46:19 -425.644490 0.2342 BFGS: 8921 16:46:19 -425.644490 0.2342 BFGS: 8922 16:46:19 -425.644490 0.2342 BFGS: 8923 16:46:19 -425.644490 0.2342 BFGS: 8924 16:46:19 -425.644490 0.2342 BFGS: 8925 16:46:19 -425.644490 0.2342 BFGS: 8926 16:46:19 -425.644490 0.2342 BFGS: 8927 16:46:19 -425.644490 0.2342 BFGS: 8928 16:46:20 -425.644490 0.2342 BFGS: 8929 16:46:20 -425.644490 0.2342 BFGS: 8930 16:46:20 -425.644490 0.2342 BFGS: 8931 16:46:20 -425.644490 0.2342 BFGS: 8932 16:46:20 -425.644490 0.2342 BFGS: 8933 16:46:20 -425.644490 0.2342 BFGS: 8934 16:46:20 -425.644490 0.2342 BFGS: 8935 16:46:20 -425.644490 0.2342 BFGS: 8936 16:46:20 -425.644490 0.2342 BFGS: 8937 16:46:20 -425.644490 0.2342 BFGS: 8938 16:46:20 -425.644490 0.2342 BFGS: 8939 16:46:20 -425.644490 0.2342 BFGS: 8940 16:46:20 -425.644490 0.2342 BFGS: 8941 16:46:20 -425.644490 0.2342 BFGS: 8942 16:46:20 -425.644490 0.2342 BFGS: 8943 16:46:20 -425.644490 0.2342 BFGS: 8944 16:46:20 -425.644490 0.2342 BFGS: 8945 16:46:20 -425.644490 0.2342 BFGS: 8946 16:46:20 -425.644490 0.2342 BFGS: 8947 16:46:20 -425.644490 0.2342 BFGS: 8948 16:46:20 -425.644490 0.2342 BFGS: 8949 16:46:20 -425.644490 0.2342 BFGS: 8950 16:46:21 -425.644490 0.2342 BFGS: 8951 16:46:21 -425.644490 0.2342 BFGS: 8952 16:46:21 -425.644490 0.2342 BFGS: 8953 16:46:21 -425.644490 0.2342 BFGS: 8954 16:46:21 -425.644490 0.2342 BFGS: 8955 16:46:21 -425.644490 0.2342 BFGS: 8956 16:46:21 -425.644490 0.2342 BFGS: 8957 16:46:21 -425.644490 0.2342 BFGS: 8958 16:46:21 -425.644490 0.2342 BFGS: 8959 16:46:21 -425.644490 0.2342 BFGS: 8960 16:46:21 -425.644490 0.2342 BFGS: 8961 16:46:21 -425.644490 0.2342 BFGS: 8962 16:46:21 -425.644490 0.2342 BFGS: 8963 16:46:21 -425.644490 0.2342 BFGS: 8964 16:46:21 -425.644490 0.2342 BFGS: 8965 16:46:21 -425.644490 0.2342 BFGS: 8966 16:46:21 -425.644490 0.2342 BFGS: 8967 16:46:21 -425.644490 0.2342 BFGS: 8968 16:46:21 -425.644490 0.2342 BFGS: 8969 16:46:21 -425.644490 0.2342 BFGS: 8970 16:46:21 -425.644490 0.2342 BFGS: 8971 16:46:21 -425.644490 0.2342 BFGS: 8972 16:46:22 -425.644490 0.2342 BFGS: 8973 16:46:22 -425.644490 0.2342 BFGS: 8974 16:46:22 -425.644490 0.2342 BFGS: 8975 16:46:22 -425.644490 0.2342 BFGS: 8976 16:46:22 -425.644490 0.2342 BFGS: 8977 16:46:22 -425.644490 0.2342 BFGS: 8978 16:46:22 -425.644490 0.2342 BFGS: 8979 16:46:22 -425.644490 0.2342 BFGS: 8980 16:46:22 -425.644490 0.2342 BFGS: 8981 16:46:22 -425.644490 0.2342 BFGS: 8982 16:46:22 -425.644490 0.2342 BFGS: 8983 16:46:22 -425.644490 0.2342 BFGS: 8984 16:46:22 -425.644490 0.2342 BFGS: 8985 16:46:22 -425.644490 0.2342 BFGS: 8986 16:46:22 -425.644490 0.2342 BFGS: 8987 16:46:22 -425.644490 0.2342 BFGS: 8988 16:46:22 -425.644490 0.2342 BFGS: 8989 16:46:22 -425.644490 0.2342 BFGS: 8990 16:46:22 -425.644490 0.2342 BFGS: 8991 16:46:22 -425.644490 0.2342 BFGS: 8992 16:46:22 -425.644490 0.2342 BFGS: 8993 16:46:23 -425.644490 0.2342 BFGS: 8994 16:46:23 -425.644490 0.2342 BFGS: 8995 16:46:23 -425.644490 0.2342 BFGS: 8996 16:46:23 -425.644490 0.2342 BFGS: 8997 16:46:23 -425.644490 0.2342 BFGS: 8998 16:46:23 -425.644490 0.2342 BFGS: 8999 16:46:23 -425.644490 0.2342 BFGS: 9000 16:46:23 -425.644490 0.2342 BFGS: 9001 16:46:23 -425.644490 0.2342 BFGS: 9002 16:46:23 -425.644490 0.2342 BFGS: 9003 16:46:23 -425.644490 0.2342 BFGS: 9004 16:46:23 -425.644490 0.2342 BFGS: 9005 16:46:23 -425.644490 0.2342 BFGS: 9006 16:46:23 -425.644490 0.2342 BFGS: 9007 16:46:23 -425.644490 0.2342 BFGS: 9008 16:46:23 -425.644490 0.2342 BFGS: 9009 16:46:23 -425.644490 0.2342 BFGS: 9010 16:46:23 -425.644490 0.2342 BFGS: 9011 16:46:23 -425.644490 0.2342 BFGS: 9012 16:46:23 -425.644490 0.2342 BFGS: 9013 16:46:23 -425.644490 0.2342 BFGS: 9014 16:46:23 -425.644490 0.2342 BFGS: 9015 16:46:24 -425.644490 0.2342 BFGS: 9016 16:46:24 -425.644490 0.2342 BFGS: 9017 16:46:24 -425.644490 0.2342 BFGS: 9018 16:46:24 -425.644490 0.2342 BFGS: 9019 16:46:24 -425.644490 0.2342 BFGS: 9020 16:46:24 -425.644490 0.2342 BFGS: 9021 16:46:24 -425.644490 0.2342 BFGS: 9022 16:46:24 -425.644490 0.2342 BFGS: 9023 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0.2342 BFGS: 9253 16:46:34 -425.644490 0.2342 BFGS: 9254 16:46:35 -425.644490 0.2342 BFGS: 9255 16:46:35 -425.644490 0.2342 BFGS: 9256 16:46:35 -425.644490 0.2342 BFGS: 9257 16:46:35 -425.644490 0.2342 BFGS: 9258 16:46:35 -425.644490 0.2342 BFGS: 9259 16:46:35 -425.644490 0.2342 BFGS: 9260 16:46:35 -425.644490 0.2342 BFGS: 9261 16:46:35 -425.644490 0.2342 BFGS: 9262 16:46:35 -425.644490 0.2342 BFGS: 9263 16:46:35 -425.644490 0.2342 BFGS: 9264 16:46:35 -425.644490 0.2342 BFGS: 9265 16:46:35 -425.644490 0.2342 BFGS: 9266 16:46:35 -425.644490 0.2342 BFGS: 9267 16:46:35 -425.644490 0.2342 BFGS: 9268 16:46:35 -425.644490 0.2342 BFGS: 9269 16:46:35 -425.644490 0.2342 BFGS: 9270 16:46:35 -425.644490 0.2342 BFGS: 9271 16:46:35 -425.644490 0.2342 BFGS: 9272 16:46:35 -425.644490 0.2342 BFGS: 9273 16:46:35 -425.644490 0.2342 BFGS: 9274 16:46:35 -425.644490 0.2342 BFGS: 9275 16:46:35 -425.644490 0.2342 BFGS: 9276 16:46:36 -425.644490 0.2342 BFGS: 9277 16:46:36 -425.644490 0.2342 BFGS: 9278 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16:46:52 -425.644490 0.2342 BFGS: 9636 16:46:52 -425.644490 0.2342 BFGS: 9637 16:46:52 -425.644490 0.2342 BFGS: 9638 16:46:52 -425.644490 0.2342 BFGS: 9639 16:46:52 -425.644490 0.2342 BFGS: 9640 16:46:52 -425.644490 0.2342 BFGS: 9641 16:46:52 -425.644490 0.2342 BFGS: 9642 16:46:52 -425.644490 0.2342 BFGS: 9643 16:46:52 -425.644490 0.2342 BFGS: 9644 16:46:52 -425.644490 0.2342 BFGS: 9645 16:46:52 -425.644490 0.2342 BFGS: 9646 16:46:53 -425.644490 0.2342 BFGS: 9647 16:46:53 -425.644490 0.2342 BFGS: 9648 16:46:53 -425.644490 0.2342 BFGS: 9649 16:46:53 -425.644490 0.2342 BFGS: 9650 16:46:53 -425.644490 0.2342 BFGS: 9651 16:46:53 -425.644490 0.2342 BFGS: 9652 16:46:53 -425.644490 0.2342 BFGS: 9653 16:46:53 -425.644490 0.2342 BFGS: 9654 16:46:53 -425.644490 0.2342 BFGS: 9655 16:46:53 -425.644490 0.2342 BFGS: 9656 16:46:53 -425.644490 0.2342 BFGS: 9657 16:46:53 -425.644490 0.2342 BFGS: 9658 16:46:53 -425.644490 0.2342 BFGS: 9659 16:46:53 -425.644490 0.2342 BFGS: 9660 16:46:53 -425.644490 0.2342 BFGS: 9661 16:46:53 -425.644490 0.2342 BFGS: 9662 16:46:53 -425.644490 0.2342 BFGS: 9663 16:46:53 -425.644490 0.2342 BFGS: 9664 16:46:53 -425.644490 0.2342 BFGS: 9665 16:46:53 -425.644490 0.2342 BFGS: 9666 16:46:53 -425.644490 0.2342 BFGS: 9667 16:46:53 -425.644490 0.2342 BFGS: 9668 16:46:54 -425.644490 0.2342 BFGS: 9669 16:46:54 -425.644490 0.2342 BFGS: 9670 16:46:54 -425.644490 0.2342 BFGS: 9671 16:46:54 -425.644490 0.2342 BFGS: 9672 16:46:54 -425.644490 0.2342 BFGS: 9673 16:46:54 -425.644490 0.2342 BFGS: 9674 16:46:54 -425.644490 0.2342 BFGS: 9675 16:46:54 -425.644490 0.2342 BFGS: 9676 16:46:54 -425.644490 0.2342 BFGS: 9677 16:46:54 -425.644490 0.2342 BFGS: 9678 16:46:54 -425.644490 0.2342 BFGS: 9679 16:46:54 -425.644490 0.2342 BFGS: 9680 16:46:54 -425.644490 0.2342 BFGS: 9681 16:46:54 -425.644490 0.2342 BFGS: 9682 16:46:54 -425.644490 0.2342 BFGS: 9683 16:46:54 -425.644490 0.2342 BFGS: 9684 16:46:54 -425.644490 0.2342 BFGS: 9685 16:46:54 -425.644490 0.2342 BFGS: 9686 16:46:54 -425.644490 0.2342 BFGS: 9687 16:46:54 -425.644490 0.2342 BFGS: 9688 16:46:54 -425.644490 0.2342 BFGS: 9689 16:46:54 -425.644490 0.2342 BFGS: 9690 16:46:55 -425.644490 0.2342 BFGS: 9691 16:46:55 -425.644490 0.2342 BFGS: 9692 16:46:55 -425.644490 0.2342 BFGS: 9693 16:46:55 -425.644490 0.2342 BFGS: 9694 16:46:55 -425.644490 0.2342 BFGS: 9695 16:46:55 -425.644490 0.2342 BFGS: 9696 16:46:55 -425.644490 0.2342 BFGS: 9697 16:46:55 -425.644490 0.2342 BFGS: 9698 16:46:55 -425.644490 0.2342 BFGS: 9699 16:46:55 -425.644490 0.2342 BFGS: 9700 16:46:55 -425.644490 0.2342 BFGS: 9701 16:46:55 -425.644490 0.2342 BFGS: 9702 16:46:55 -425.644490 0.2342 BFGS: 9703 16:46:55 -425.644490 0.2342 BFGS: 9704 16:46:55 -425.644490 0.2342 BFGS: 9705 16:46:55 -425.644490 0.2342 BFGS: 9706 16:46:55 -425.644490 0.2342 BFGS: 9707 16:46:55 -425.644490 0.2342 BFGS: 9708 16:46:55 -425.644490 0.2342 BFGS: 9709 16:46:55 -425.644490 0.2342 BFGS: 9710 16:46:55 -425.644490 0.2342 BFGS: 9711 16:46:55 -425.644490 0.2342 BFGS: 9712 16:46:56 -425.644490 0.2342 BFGS: 9713 16:46:56 -425.644490 0.2342 BFGS: 9714 16:46:56 -425.644490 0.2342 BFGS: 9715 16:46:56 -425.644490 0.2342 BFGS: 9716 16:46:56 -425.644490 0.2342 BFGS: 9717 16:46:56 -425.644490 0.2342 BFGS: 9718 16:46:56 -425.644490 0.2342 BFGS: 9719 16:46:56 -425.644490 0.2342 BFGS: 9720 16:46:56 -425.644490 0.2342 BFGS: 9721 16:46:56 -425.644490 0.2342 BFGS: 9722 16:46:56 -425.644490 0.2342 BFGS: 9723 16:46:56 -425.644490 0.2342 BFGS: 9724 16:46:56 -425.644490 0.2342 BFGS: 9725 16:46:56 -425.644490 0.2342 BFGS: 9726 16:46:56 -425.644490 0.2342 BFGS: 9727 16:46:56 -425.644490 0.2342 BFGS: 9728 16:46:56 -425.644490 0.2342 BFGS: 9729 16:46:56 -425.644490 0.2342 BFGS: 9730 16:46:56 -425.644490 0.2342 BFGS: 9731 16:46:56 -425.644490 0.2342 BFGS: 9732 16:46:56 -425.644490 0.2342 BFGS: 9733 16:46:57 -425.644490 0.2342 BFGS: 9734 16:46:57 -425.644490 0.2342 BFGS: 9735 16:46:57 -425.644490 0.2342 BFGS: 9736 16:46:57 -425.644490 0.2342 BFGS: 9737 16:46:57 -425.644490 0.2342 BFGS: 9738 16:46:57 -425.644490 0.2342 BFGS: 9739 16:46:57 -425.644490 0.2342 BFGS: 9740 16:46:57 -425.644490 0.2342 BFGS: 9741 16:46:57 -425.644490 0.2342 BFGS: 9742 16:46:57 -425.644490 0.2342 BFGS: 9743 16:46:57 -425.644490 0.2342 BFGS: 9744 16:46:57 -425.644490 0.2342 BFGS: 9745 16:46:57 -425.644490 0.2342 BFGS: 9746 16:46:57 -425.644490 0.2342 BFGS: 9747 16:46:57 -425.644490 0.2342 BFGS: 9748 16:46:57 -425.644490 0.2342 BFGS: 9749 16:46:57 -425.644490 0.2342 BFGS: 9750 16:46:57 -425.644490 0.2342 BFGS: 9751 16:46:57 -425.644490 0.2342 BFGS: 9752 16:46:57 -425.644490 0.2342 BFGS: 9753 16:46:57 -425.644490 0.2342 BFGS: 9754 16:46:57 -425.644490 0.2342 BFGS: 9755 16:46:58 -425.644490 0.2342 BFGS: 9756 16:46:58 -425.644490 0.2342 BFGS: 9757 16:46:58 -425.644490 0.2342 BFGS: 9758 16:46:58 -425.644490 0.2342 BFGS: 9759 16:46:58 -425.644490 0.2342 BFGS: 9760 16:46:58 -425.644490 0.2342 BFGS: 9761 16:46:58 -425.644490 0.2342 BFGS: 9762 16:46:58 -425.644490 0.2342 BFGS: 9763 16:46:58 -425.644490 0.2342 BFGS: 9764 16:46:58 -425.644490 0.2342 BFGS: 9765 16:46:58 -425.644490 0.2342 BFGS: 9766 16:46:58 -425.644490 0.2342 BFGS: 9767 16:46:58 -425.644490 0.2342 BFGS: 9768 16:46:58 -425.644490 0.2342 BFGS: 9769 16:46:58 -425.644490 0.2342 BFGS: 9770 16:46:58 -425.644490 0.2342 BFGS: 9771 16:46:58 -425.644490 0.2342 BFGS: 9772 16:46:58 -425.644490 0.2342 BFGS: 9773 16:46:58 -425.644490 0.2342 BFGS: 9774 16:46:58 -425.644490 0.2342 BFGS: 9775 16:46:58 -425.644490 0.2342 BFGS: 9776 16:46:58 -425.644490 0.2342 BFGS: 9777 16:46:59 -425.644490 0.2342 BFGS: 9778 16:46:59 -425.644490 0.2342 BFGS: 9779 16:46:59 -425.644490 0.2342 BFGS: 9780 16:46:59 -425.644490 0.2342 BFGS: 9781 16:46:59 -425.644490 0.2342 BFGS: 9782 16:46:59 -425.644490 0.2342 BFGS: 9783 16:46:59 -425.644490 0.2342 BFGS: 9784 16:46:59 -425.644490 0.2342 BFGS: 9785 16:46:59 -425.644490 0.2342 BFGS: 9786 16:46:59 -425.644490 0.2342 BFGS: 9787 16:46:59 -425.644490 0.2342 BFGS: 9788 16:46:59 -425.644490 0.2342 BFGS: 9789 16:46:59 -425.644490 0.2342 BFGS: 9790 16:46:59 -425.644490 0.2342 BFGS: 9791 16:46:59 -425.644490 0.2342 BFGS: 9792 16:46:59 -425.644490 0.2342 BFGS: 9793 16:46:59 -425.644490 0.2342 BFGS: 9794 16:46:59 -425.644490 0.2342 BFGS: 9795 16:46:59 -425.644490 0.2342 BFGS: 9796 16:46:59 -425.644490 0.2342 BFGS: 9797 16:46:59 -425.644490 0.2342 BFGS: 9798 16:46:59 -425.644490 0.2342 BFGS: 9799 16:47:00 -425.644490 0.2342 BFGS: 9800 16:47:00 -425.644490 0.2342 BFGS: 9801 16:47:00 -425.644490 0.2342 BFGS: 9802 16:47:00 -425.644490 0.2342 BFGS: 9803 16:47:00 -425.644490 0.2342 BFGS: 9804 16:47:00 -425.644490 0.2342 BFGS: 9805 16:47:00 -425.644490 0.2342 BFGS: 9806 16:47:00 -425.644490 0.2342 BFGS: 9807 16:47:00 -425.644490 0.2342 BFGS: 9808 16:47:00 -425.644490 0.2342 BFGS: 9809 16:47:00 -425.644490 0.2342 BFGS: 9810 16:47:00 -425.644490 0.2342 BFGS: 9811 16:47:00 -425.644490 0.2342 BFGS: 9812 16:47:00 -425.644490 0.2342 BFGS: 9813 16:47:00 -425.644490 0.2342 BFGS: 9814 16:47:00 -425.644490 0.2342 BFGS: 9815 16:47:00 -425.644490 0.2342 BFGS: 9816 16:47:00 -425.644490 0.2342 BFGS: 9817 16:47:00 -425.644490 0.2342 BFGS: 9818 16:47:00 -425.644490 0.2342 BFGS: 9819 16:47:00 -425.644490 0.2342 BFGS: 9820 16:47:00 -425.644490 0.2342 BFGS: 9821 16:47:01 -425.644490 0.2342 BFGS: 9822 16:47:01 -425.644490 0.2342 BFGS: 9823 16:47:01 -425.644490 0.2342 BFGS: 9824 16:47:01 -425.644490 0.2342 BFGS: 9825 16:47:01 -425.644490 0.2342 BFGS: 9826 16:47:01 -425.644490 0.2342 BFGS: 9827 16:47:01 -425.644490 0.2342 BFGS: 9828 16:47:01 -425.644490 0.2342 BFGS: 9829 16:47:01 -425.644490 0.2342 BFGS: 9830 16:47:01 -425.644490 0.2342 BFGS: 9831 16:47:01 -425.644490 0.2342 BFGS: 9832 16:47:01 -425.644490 0.2342 BFGS: 9833 16:47:01 -425.644490 0.2342 BFGS: 9834 16:47:01 -425.644490 0.2342 BFGS: 9835 16:47:01 -425.644490 0.2342 BFGS: 9836 16:47:01 -425.644490 0.2342 BFGS: 9837 16:47:01 -425.644490 0.2342 BFGS: 9838 16:47:01 -425.644490 0.2342 BFGS: 9839 16:47:01 -425.644490 0.2342 BFGS: 9840 16:47:01 -425.644490 0.2342 BFGS: 9841 16:47:01 -425.644490 0.2342 BFGS: 9842 16:47:02 -425.644490 0.2342 BFGS: 9843 16:47:02 -425.644490 0.2342 BFGS: 9844 16:47:02 -425.644490 0.2342 BFGS: 9845 16:47:02 -425.644490 0.2342 BFGS: 9846 16:47:02 -425.644490 0.2342 BFGS: 9847 16:47:02 -425.644490 0.2342 BFGS: 9848 16:47:02 -425.644490 0.2342 BFGS: 9849 16:47:02 -425.644490 0.2342 BFGS: 9850 16:47:02 -425.644490 0.2342 BFGS: 9851 16:47:02 -425.644490 0.2342 BFGS: 9852 16:47:02 -425.644490 0.2342 BFGS: 9853 16:47:02 -425.644490 0.2342 BFGS: 9854 16:47:02 -425.644490 0.2342 BFGS: 9855 16:47:02 -425.644490 0.2342 BFGS: 9856 16:47:02 -425.644490 0.2342 BFGS: 9857 16:47:02 -425.644490 0.2342 BFGS: 9858 16:47:02 -425.644490 0.2342 BFGS: 9859 16:47:02 -425.644490 0.2342 BFGS: 9860 16:47:02 -425.644490 0.2342 BFGS: 9861 16:47:02 -425.644490 0.2342 BFGS: 9862 16:47:02 -425.644490 0.2342 BFGS: 9863 16:47:02 -425.644490 0.2342 BFGS: 9864 16:47:03 -425.644490 0.2342 BFGS: 9865 16:47:03 -425.644490 0.2342 BFGS: 9866 16:47:03 -425.644490 0.2342 BFGS: 9867 16:47:03 -425.644490 0.2342 BFGS: 9868 16:47:03 -425.644490 0.2342 BFGS: 9869 16:47:03 -425.644490 0.2342 BFGS: 9870 16:47:03 -425.644490 0.2342 BFGS: 9871 16:47:03 -425.644490 0.2342 BFGS: 9872 16:47:03 -425.644490 0.2342 BFGS: 9873 16:47:03 -425.644490 0.2342 BFGS: 9874 16:47:03 -425.644490 0.2342 BFGS: 9875 16:47:03 -425.644490 0.2342 BFGS: 9876 16:47:03 -425.644490 0.2342 BFGS: 9877 16:47:03 -425.644490 0.2342 BFGS: 9878 16:47:03 -425.644490 0.2342 BFGS: 9879 16:47:03 -425.644490 0.2342 BFGS: 9880 16:47:03 -425.644490 0.2342 BFGS: 9881 16:47:03 -425.644490 0.2342 BFGS: 9882 16:47:03 -425.644490 0.2342 BFGS: 9883 16:47:03 -425.644490 0.2342 BFGS: 9884 16:47:03 -425.644490 0.2342 BFGS: 9885 16:47:03 -425.644490 0.2342 BFGS: 9886 16:47:04 -425.644490 0.2342 BFGS: 9887 16:47:04 -425.644490 0.2342 BFGS: 9888 16:47:04 -425.644490 0.2342 BFGS: 9889 16:47:04 -425.644490 0.2342 BFGS: 9890 16:47:04 -425.644490 0.2342 BFGS: 9891 16:47:04 -425.644490 0.2342 BFGS: 9892 16:47:04 -425.644490 0.2342 BFGS: 9893 16:47:04 -425.644490 0.2342 BFGS: 9894 16:47:04 -425.644490 0.2342 BFGS: 9895 16:47:04 -425.644490 0.2342 BFGS: 9896 16:47:04 -425.644490 0.2342 BFGS: 9897 16:47:04 -425.644490 0.2342 BFGS: 9898 16:47:04 -425.644490 0.2342 BFGS: 9899 16:47:04 -425.644490 0.2342 BFGS: 9900 16:47:04 -425.644490 0.2342 BFGS: 9901 16:47:04 -425.644490 0.2342 BFGS: 9902 16:47:04 -425.644490 0.2342 BFGS: 9903 16:47:04 -425.644490 0.2342 BFGS: 9904 16:47:04 -425.644490 0.2342 BFGS: 9905 16:47:04 -425.644490 0.2342 BFGS: 9906 16:47:04 -425.644490 0.2342 BFGS: 9907 16:47:04 -425.644490 0.2342 BFGS: 9908 16:47:05 -425.644490 0.2342 BFGS: 9909 16:47:05 -425.644490 0.2342 BFGS: 9910 16:47:05 -425.644490 0.2342 BFGS: 9911 16:47:05 -425.644490 0.2342 BFGS: 9912 16:47:05 -425.644490 0.2342 BFGS: 9913 16:47:05 -425.644490 0.2342 BFGS: 9914 16:47:05 -425.644490 0.2342 BFGS: 9915 16:47:05 -425.644490 0.2342 BFGS: 9916 16:47:05 -425.644490 0.2342 BFGS: 9917 16:47:05 -425.644490 0.2342 BFGS: 9918 16:47:05 -425.644490 0.2342 BFGS: 9919 16:47:05 -425.644490 0.2342 BFGS: 9920 16:47:05 -425.644490 0.2342 BFGS: 9921 16:47:05 -425.644490 0.2342 BFGS: 9922 16:47:05 -425.644490 0.2342 BFGS: 9923 16:47:05 -425.644490 0.2342 BFGS: 9924 16:47:05 -425.644490 0.2342 BFGS: 9925 16:47:05 -425.644490 0.2342 BFGS: 9926 16:47:05 -425.644490 0.2342 BFGS: 9927 16:47:05 -425.644490 0.2342 BFGS: 9928 16:47:05 -425.644490 0.2342 BFGS: 9929 16:47:05 -425.644490 0.2342 BFGS: 9930 16:47:06 -425.644490 0.2342 BFGS: 9931 16:47:06 -425.644490 0.2342 BFGS: 9932 16:47:06 -425.644490 0.2342 BFGS: 9933 16:47:06 -425.644490 0.2342 BFGS: 9934 16:47:06 -425.644490 0.2342 BFGS: 9935 16:47:06 -425.644490 0.2342 BFGS: 9936 16:47:06 -425.644490 0.2342 BFGS: 9937 16:47:06 -425.644490 0.2342 BFGS: 9938 16:47:06 -425.644490 0.2342 BFGS: 9939 16:47:06 -425.644490 0.2342 BFGS: 9940 16:47:06 -425.644490 0.2342 BFGS: 9941 16:47:06 -425.644490 0.2342 BFGS: 9942 16:47:06 -425.644490 0.2342 BFGS: 9943 16:47:06 -425.644490 0.2342 BFGS: 9944 16:47:06 -425.644490 0.2342 BFGS: 9945 16:47:06 -425.644490 0.2342 BFGS: 9946 16:47:06 -425.644490 0.2342 BFGS: 9947 16:47:06 -425.644490 0.2342 BFGS: 9948 16:47:06 -425.644490 0.2342 BFGS: 9949 16:47:06 -425.644490 0.2342 BFGS: 9950 16:47:06 -425.644490 0.2342 BFGS: 9951 16:47:07 -425.644490 0.2342 BFGS: 9952 16:47:07 -425.644490 0.2342 BFGS: 9953 16:47:07 -425.644490 0.2342 BFGS: 9954 16:47:07 -425.644490 0.2342 BFGS: 9955 16:47:07 -425.644490 0.2342 BFGS: 9956 16:47:07 -425.644490 0.2342 BFGS: 9957 16:47:07 -425.644490 0.2342 BFGS: 9958 16:47:07 -425.644490 0.2342 BFGS: 9959 16:47:07 -425.644490 0.2342 BFGS: 9960 16:47:07 -425.644490 0.2342 BFGS: 9961 16:47:07 -425.644490 0.2342 BFGS: 9962 16:47:07 -425.644490 0.2342 BFGS: 9963 16:47:07 -425.644490 0.2342 BFGS: 9964 16:47:07 -425.644490 0.2342 BFGS: 9965 16:47:07 -425.644490 0.2342 BFGS: 9966 16:47:07 -425.644490 0.2342 BFGS: 9967 16:47:07 -425.644490 0.2342 BFGS: 9968 16:47:07 -425.644490 0.2342 BFGS: 9969 16:47:07 -425.644490 0.2342 BFGS: 9970 16:47:07 -425.644490 0.2342 BFGS: 9971 16:47:07 -425.644490 0.2342 BFGS: 9972 16:47:07 -425.644490 0.2342 BFGS: 9973 16:47:08 -425.644490 0.2342 BFGS: 9974 16:47:08 -425.644490 0.2342 BFGS: 9975 16:47:08 -425.644490 0.2342 BFGS: 9976 16:47:08 -425.644490 0.2342 BFGS: 9977 16:47:08 -425.644490 0.2342 BFGS: 9978 16:47:08 -425.644490 0.2342 BFGS: 9979 16:47:08 -425.644490 0.2342 BFGS: 9980 16:47:08 -425.644490 0.2342 BFGS: 9981 16:47:08 -425.644490 0.2342 BFGS: 9982 16:47:08 -425.644490 0.2342 BFGS: 9983 16:47:08 -425.644490 0.2342 BFGS: 9984 16:47:08 -425.644490 0.2342 BFGS: 9985 16:47:08 -425.644490 0.2342 BFGS: 9986 16:47:08 -425.644490 0.2342 BFGS: 9987 16:47:08 -425.644490 0.2342 BFGS: 9988 16:47:08 -425.644490 0.2342 BFGS: 9989 16:47:08 -425.644490 0.2342 BFGS: 9990 16:47:08 -425.644490 0.2342 BFGS: 9991 16:47:08 -425.644490 0.2342 BFGS: 9992 16:47:08 -425.644490 0.2342 BFGS: 9993 16:47:08 -425.644490 0.2342 BFGS: 9994 16:47:08 -425.644490 0.2342 BFGS: 9995 16:47:09 -425.644490 0.2342 BFGS: 9996 16:47:09 -425.644490 0.2342 BFGS: 9997 16:47:09 -425.644490 0.2342 BFGS: 9998 16:47:09 -425.644490 0.2342 BFGS: 9999 16:47:09 -425.644490 0.2342 BFGS: 10000 16:47:09 -425.644490 0.2342 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.3888786933658687 eV/Angstrom Maximum stress component: 0.009007692833699102 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[0.00000000e+00 0.00000000e+00 5.46234750e-02] [6.56034129e-27 1.30884600e-26 9.52256204e-01] [0.00000000e+00 0.00000000e+00 8.01093113e-01] [5.00035725e-29 1.02788953e-28 7.06023900e-01] [0.00000000e+00 0.00000000e+00 6.15965334e-01] [4.27476426e-28 9.42232067e-28 4.75086401e-01] [7.57431271e-28 1.55896578e-27 3.84694310e-01] [0.00000000e+00 0.00000000e+00 2.44670897e-01] [6.54902991e-28 1.33197351e-27 1.49420826e-01] [3.33333333e-01 6.66666667e-01 9.76086597e-01] [3.33333333e-01 6.66666667e-01 6.94250359e-02] [3.33333333e-01 6.66666667e-01 7.86922323e-01] [3.33333333e-01 6.66666667e-01 2.19216086e-01] [3.33333333e-01 6.66666667e-01 6.81326846e-01] [3.33333333e-01 6.66666667e-01 3.14467880e-01] [3.33333333e-01 6.66666667e-01 8.81622085e-01] [3.33333333e-01 6.66666667e-01 4.16430603e-01] [6.66666667e-01 3.33333333e-01 5.46058570e-01] [6.66666667e-01 3.33333333e-01 8.12154961e-01] [6.66666667e-01 3.33333333e-01 7.96444262e-02] [6.66666667e-01 3.33333333e-01 9.65399189e-01] [6.66666667e-01 3.33333333e-01 6.47945199e-01] [6.66666667e-01 3.33333333e-01 2.32266254e-01] [6.66666667e-01 3.33333333e-01 4.49152914e-01] [0.00000000e+00 0.00000000e+00 5.67493885e-01] [1.00998116e-28 1.97012159e-28 4.30267552e-01] [0.00000000e+00 0.00000000e+00 3.36091884e-01] [2.21182948e-27 4.57410840e-27 6.61446732e-01] [6.49147667e-28 1.25059892e-27 1.98230590e-01] [0.00000000e+00 0.00000000e+00 7.53432222e-01] [1.14720360e-28 2.16285088e-28 1.01899989e-01] [0.00000000e+00 0.00000000e+00 3.35558768e-04] [2.90296603e-27 5.99602224e-27 9.00590006e-01] [3.33333333e-01 6.66666667e-01 3.64263495e-01] [3.33333333e-01 6.66666667e-01 9.30142398e-01] [3.33333333e-01 6.66666667e-01 8.34181947e-01] [3.33333333e-01 6.66666667e-01 7.31041976e-01] [3.33333333e-01 6.66666667e-01 6.31357208e-01] [3.33333333e-01 6.66666667e-01 2.66690670e-01] [3.33333333e-01 6.66666667e-01 1.68058421e-01] [3.33333333e-01 6.66666667e-01 2.25033526e-02] [6.66666667e-01 3.33333333e-01 5.95744845e-01] [6.66666667e-01 3.33333333e-01 3.24412562e-02] [6.66666667e-01 3.33333333e-01 4.97946469e-01] [6.66666667e-01 3.33333333e-01 7.65162830e-01] [6.66666667e-01 3.33333333e-01 1.83106223e-01] [6.66666667e-01 3.33333333e-01 9.15980083e-01] [6.66666667e-01 3.33333333e-01 3.99688312e-01]] cellpar = Cell([[3.4029422980148394, -2.892227073299571e-17, 8.080330279294113e-17], [-1.7014711490074197, 2.9470344776928843, 1.8692176643033956e-14], [2.2539884522220268e-15, 4.45613590249352e-13, 44.85629652388695]]) forces = [[ 1.85003071e-19 3.65751131e-17 3.68171922e-03] [ 5.56461913e-19 1.10012538e-16 1.10740676e-02] [-8.80503462e-18 -1.74075563e-15 -1.75227714e-01] [ 5.11681370e-18 1.01159424e-15 1.01828966e-01] [ 5.79127814e-19 1.14493588e-16 1.15251384e-02] [ 8.57916713e-19 1.69610162e-16 1.70732758e-02] [-3.08419000e-18 -6.09744464e-16 -6.13780169e-02] [ 9.89725867e-18 1.95668836e-15 1.96963906e-01] [ 9.36504805e-19 1.85147030e-16 1.86372460e-02] [ 9.08882723e-18 1.79686144e-15 1.80875430e-01] [-9.62020333e-18 -1.90191451e-15 -1.91450268e-01] [-1.29868883e-18 -2.56750823e-16 -2.58450176e-02] [-2.74896379e-18 -5.43470230e-16 -5.47067287e-02] [ 1.88331427e-17 3.72331293e-15 3.74795635e-01] [-1.01876417e-18 -2.01409710e-16 -2.02742777e-02] [ 5.64623559e-19 1.11626096e-16 1.12364914e-02] [-1.15755724e-17 -2.28849105e-15 -2.30363784e-01] [-8.32346716e-19 -1.64554973e-16 -1.65644110e-02] [ 7.02664076e-18 1.38916711e-15 1.39836156e-01] [ 7.97779627e-18 1.57721058e-15 1.58764964e-01] [-1.27433807e-17 -2.51936677e-15 -2.53604166e-01] [-1.00971750e-17 -1.99621182e-15 -2.00942411e-01] [-1.29557130e-17 -2.56134489e-15 -2.57829762e-01] [ 1.95408037e-17 3.86321752e-15 3.88878693e-01] [-1.85990241e-18 -3.67702767e-16 -3.70136475e-02] [-4.54721486e-18 -8.98984525e-16 -9.04934618e-02] [-3.40802736e-18 -6.73767121e-16 -6.78226571e-02] [-3.44772934e-18 -6.81616203e-16 -6.86127604e-02] [ 1.38705158e-17 2.74220142e-15 2.76035118e-01] [-4.53444500e-18 -8.96459923e-16 -9.02393307e-02] [ 4.44210203e-18 8.78203716e-16 8.84016268e-02] [ 3.19345811e-18 6.31346772e-16 6.35525456e-02] [-3.05400807e-19 -6.03777494e-17 -6.07773706e-03] [-1.19556929e-17 -2.36364088e-15 -2.37928507e-01] [ 1.22234462e-17 2.41657571e-15 2.43257025e-01] [ 3.01655392e-18 5.96372808e-16 6.00320011e-02] [ 3.25404672e-18 6.43325142e-16 6.47583107e-02] [ 1.42757314e-18 2.82231255e-16 2.84099255e-02] [ 1.74232619e-18 3.44457945e-16 3.46737803e-02] [-7.16786822e-20 -1.41708778e-17 -1.42646703e-03] [-7.03826813e-18 -1.39146584e-15 -1.40067551e-01] [-1.30098616e-17 -2.57205006e-15 -2.58907364e-01] [ 8.29499732e-18 1.63992124e-15 1.65077536e-01] [ 4.48824864e-19 8.87326902e-17 8.93199838e-03] [ 7.77753815e-18 1.53761954e-15 1.54779656e-01] [-7.30291179e-18 -1.44378590e-15 -1.45334186e-01] [-8.53251190e-18 -1.68687788e-15 -1.69804279e-01] [-5.86259389e-20 -1.15903500e-17 -1.16670629e-03]] stress = [ 9.00769283e-03 9.00769283e-03 -1.56096599e-03 -7.85569325e-17 -2.15727084e-18 7.66985913e-19] energy per atom = -8.867593551997453 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.0729157 ] [0. 0. 0.82290415] [0. 0. 0.69793468] [0. 0. 0.90623453] [0. 0. 0.98956372] [0. 0. 0.57291733] [0. 0. 0.44791636] [0. 0. 0.32291668] [0. 0. 0.1979169 ] [0.33333333 0.66666667 0.73957994] [0.33333333 0.66666667 0.03126596] [0.33333333 0.66666667 0.15624898] [0.33333333 0.66666667 0.28124904] [0.33333333 0.66666667 0.40624856] [0.33333333 0.66666667 0.53124914] [0.33333333 0.66666667 0.8645985 ] [0.33333333 0.66666667 0.65623478] [0.66666667 0.33333333 0.78125131] [0.66666667 0.33333333 0.11457899] [0.66666667 0.33333333 0.23957923] [0.66666667 0.33333333 0.3645788 ] [0.66666667 0.33333333 0.94793551] [0.66666667 0.33333333 0.4895788 ] [0.66666667 0.33333333 0.61458003] [0. 0. 0.41667048] [0. 0. 0.29167014] [0. 0. 0.54166996] [0. 0. 0.16667009] [0. 0. 0.04166953] [0. 0. 0.66667036] [0. 0. 0.79166696] [0. 0. 0.87499769] [0. 0. 0.95833256] [0.33333333 0.66666667 0. ] [0.33333333 0.66666667 0.12500089] [0.33333333 0.66666667 0.83332928] [0.33333333 0.66666667 0.2500008 ] [0.33333333 0.66666667 0.70833086] [0.33333333 0.66666667 0.37500105] [0.33333333 0.66666667 0.6249985 ] [0.33333333 0.66666667 0.50000092] [0.66666667 0.33333333 0.45833515] [0.66666667 0.33333333 0.58333413] [0.66666667 0.33333333 0.33333493] [0.66666667 0.33333333 0.74999894] [0.66666667 0.33333333 0.20833474] [0.66666667 0.33333333 0.0833342 ] [0.66666667 0.33333333 0.91666947]] spacegroup = 156 cell = [[3.7986, 0, 0], [-1.8993, 3.2896840988156, 0], [0, 0, 74.4819]] ========================================= Step Time Energy fmax BFGS: 0 16:47:13 -139.398747 3.2280 BFGS: 1 16:47:13 -139.840862 3.2171 BFGS: 2 16:47:13 -140.318641 3.2048 BFGS: 3 16:47:13 -140.794665 3.1922 BFGS: 4 16:47:13 -141.268833 3.1790 BFGS: 5 16:47:13 -141.741046 3.1654 BFGS: 6 16:47:13 -142.211201 3.1512 BFGS: 7 16:47:13 -142.679201 3.1364 BFGS: 8 16:47:13 -143.144944 3.1209 BFGS: 9 16:47:13 -143.608331 3.1049 BFGS: 10 16:47:13 -144.069258 3.0882 BFGS: 11 16:47:13 -144.527623 3.0709 BFGS: 12 16:47:13 -144.983321 3.0528 BFGS: 13 16:47:13 -145.436245 3.0341 BFGS: 14 16:47:13 -145.886287 3.0146 BFGS: 15 16:47:13 -146.334466 3.0128 BFGS: 16 16:47:13 -146.782372 2.9953 BFGS: 17 16:47:13 -147.226974 2.9737 BFGS: 18 16:47:13 -147.668270 2.9520 BFGS: 19 16:47:13 -148.106199 2.9302 BFGS: 20 16:47:13 -148.540509 2.9063 BFGS: 21 16:47:13 -148.971123 2.8816 BFGS: 22 16:47:13 -149.397923 2.8560 BFGS: 23 16:47:13 -149.820784 2.8295 BFGS: 24 16:47:13 -150.239577 2.8021 BFGS: 25 16:47:13 -150.654168 2.7738 BFGS: 26 16:47:13 -151.064421 2.7445 BFGS: 27 16:47:13 -151.470195 2.7143 BFGS: 28 16:47:14 -151.871347 2.6831 BFGS: 29 16:47:14 -152.267732 2.6510 BFGS: 30 16:47:14 -152.659200 2.6178 BFGS: 31 16:47:14 -153.045598 2.5836 BFGS: 32 16:47:14 -153.426772 2.5484 BFGS: 33 16:47:14 -153.802563 2.5121 BFGS: 34 16:47:14 -154.172808 2.4747 BFGS: 35 16:47:14 -154.537344 2.4362 BFGS: 36 16:47:14 -154.896001 2.3965 BFGS: 37 16:47:14 -155.248617 2.3559 BFGS: 38 16:47:14 -155.595020 2.3140 BFGS: 39 16:47:14 -155.935021 2.2709 BFGS: 40 16:47:14 -156.268437 2.2265 BFGS: 41 16:47:14 -156.595082 2.1808 BFGS: 42 16:47:14 -156.914766 2.1339 BFGS: 43 16:47:14 -157.227298 2.0857 BFGS: 44 16:47:14 -157.532479 2.0362 BFGS: 45 16:47:14 -157.830111 1.9853 BFGS: 46 16:47:14 -158.119987 1.9330 BFGS: 47 16:47:14 -158.401900 1.8793 BFGS: 48 16:47:14 -158.675638 1.8242 BFGS: 49 16:47:14 -158.940990 1.7678 BFGS: 50 16:47:14 -159.197809 1.7105 BFGS: 51 16:47:14 -159.445882 1.6513 BFGS: 52 16:47:14 -159.684877 1.5902 BFGS: 53 16:47:14 -159.914573 1.5275 BFGS: 54 16:47:14 -160.134736 1.4633 BFGS: 55 16:47:14 -160.345124 1.3974 BFGS: 56 16:47:14 -160.545493 1.3298 BFGS: 57 16:47:15 -160.735592 1.2606 BFGS: 58 16:47:15 -160.915169 1.1896 BFGS: 59 16:47:15 -161.083964 1.1169 BFGS: 60 16:47:15 -161.241717 1.0424 BFGS: 61 16:47:15 -161.388161 0.9662 BFGS: 62 16:47:15 -161.523027 0.8880 BFGS: 63 16:47:15 -161.646041 0.8081 BFGS: 64 16:47:15 -161.756978 0.7267 BFGS: 65 16:47:15 -161.855571 0.6430 BFGS: 66 16:47:15 -161.941477 0.5573 BFGS: 67 16:47:15 -162.014414 0.4697 BFGS: 68 16:47:15 -162.074101 0.3801 BFGS: 69 16:47:15 -162.120263 0.2885 BFGS: 70 16:47:15 -162.152633 0.1951 BFGS: 71 16:47:15 -162.170974 0.1000 BFGS: 72 16:47:15 -162.175441 0.0222 BFGS: 73 16:47:15 -162.175461 0.0238 BFGS: 74 16:47:15 -162.175625 0.0341 BFGS: 75 16:47:15 -162.175953 0.0492 BFGS: 76 16:47:15 -162.177042 0.0886 BFGS: 77 16:47:15 -162.179241 0.1480 BFGS: 78 16:47:15 -162.181512 0.2081 BFGS: 79 16:47:15 -162.184094 0.2692 BFGS: 80 16:47:15 -162.187348 0.3323 BFGS: 81 16:47:15 -162.191623 0.3943 BFGS: 82 16:47:15 -162.197243 0.4564 BFGS: 83 16:47:15 -162.204568 0.5183 BFGS: 84 16:47:15 -162.213975 0.5788 BFGS: 85 16:47:16 -162.225809 0.6388 BFGS: 86 16:47:16 -162.240411 0.6971 BFGS: 87 16:47:16 -162.258072 0.7543 BFGS: 88 16:47:16 -162.279100 0.8106 BFGS: 89 16:47:16 -162.303836 0.8672 BFGS: 90 16:47:16 -162.332512 0.9209 BFGS: 91 16:47:16 -162.365420 0.9743 BFGS: 92 16:47:16 -162.402829 1.0260 BFGS: 93 16:47:16 -162.445088 1.0780 BFGS: 94 16:47:16 -162.492483 1.1286 BFGS: 95 16:47:16 -162.545315 1.1786 BFGS: 96 16:47:16 -162.603935 1.2283 BFGS: 97 16:47:16 -162.668783 1.2782 BFGS: 98 16:47:16 -162.740309 1.3275 BFGS: 99 16:47:16 -162.819003 1.3770 BFGS: 100 16:47:16 -162.905503 1.4268 BFGS: 101 16:47:16 -163.000566 1.4770 BFGS: 102 16:47:16 -163.105189 1.5282 BFGS: 103 16:47:16 -163.220605 1.5795 BFGS: 104 16:47:16 -163.348357 1.6318 BFGS: 105 16:47:16 -163.490707 1.6871 BFGS: 106 16:47:16 -163.650400 1.7419 BFGS: 107 16:47:16 -163.831560 1.7994 BFGS: 108 16:47:16 -164.040364 1.8581 BFGS: 109 16:47:16 -164.285753 1.9187 BFGS: 110 16:47:16 -164.581710 1.9810 BFGS: 111 16:47:16 -164.949906 2.3004 BFGS: 112 16:47:16 -165.423239 2.6953 BFGS: 113 16:47:17 -166.048137 3.3791 BFGS: 114 16:47:17 -166.790222 4.1455 BFGS: 115 16:47:17 -167.576039 4.8160 BFGS: 116 16:47:17 -168.407913 5.3761 BFGS: 117 16:47:17 -169.291737 5.8328 BFGS: 118 16:47:17 -170.234285 6.1968 BFGS: 119 16:47:17 -171.242488 6.4793 BFGS: 120 16:47:17 -172.322351 6.6893 BFGS: 121 16:47:17 -173.478171 6.8303 BFGS: 122 16:47:17 -174.712416 7.0266 BFGS: 123 16:47:17 -175.966954 7.4129 BFGS: 124 16:47:17 -177.152989 7.6975 BFGS: 125 16:47:17 -178.261027 7.8874 BFGS: 126 16:47:17 -179.277731 7.9974 BFGS: 127 16:47:17 -180.521047 7.9121 BFGS: 128 16:47:17 -181.506299 7.8168 BFGS: 129 16:47:17 -182.506052 7.6086 BFGS: 130 16:47:17 -183.516499 7.3111 BFGS: 131 16:47:17 -184.516310 6.9045 BFGS: 132 16:47:17 -185.479537 6.4166 BFGS: 133 16:47:17 -186.383456 5.8695 BFGS: 134 16:47:17 -187.214735 5.2771 BFGS: 135 16:47:17 -187.972156 4.6595 BFGS: 136 16:47:17 -188.660236 4.0331 BFGS: 137 16:47:17 -189.285324 3.4133 BFGS: 138 16:47:17 -189.854486 2.8063 BFGS: 139 16:47:17 -190.372697 2.2208 BFGS: 140 16:47:18 -190.844484 1.6596 BFGS: 141 16:47:18 -191.262072 1.6157 BFGS: 142 16:47:18 -191.616593 1.6064 BFGS: 143 16:47:18 -191.919124 1.5930 BFGS: 144 16:47:18 -192.179103 1.5806 BFGS: 145 16:47:18 -192.403929 1.5648 BFGS: 146 16:47:18 -192.600509 1.5492 BFGS: 147 16:47:18 -192.774525 1.5330 BFGS: 148 16:47:18 -192.931443 1.5186 BFGS: 149 16:47:18 -193.075839 1.5043 BFGS: 150 16:47:18 -193.212209 1.5745 BFGS: 151 16:47:18 -193.344333 1.7400 BFGS: 152 16:47:18 -193.475251 1.8937 BFGS: 153 16:47:18 -193.607351 2.0386 BFGS: 154 16:47:18 -193.742566 2.1783 BFGS: 155 16:47:18 -193.881992 2.3156 BFGS: 156 16:47:18 -194.026078 2.4523 BFGS: 157 16:47:18 -194.186445 2.5927 BFGS: 158 16:47:18 -194.386705 2.7461 BFGS: 159 16:47:18 -194.661895 2.9152 BFGS: 160 16:47:18 -194.969313 3.0598 BFGS: 161 16:47:18 -195.332629 3.8843 BFGS: 162 16:47:18 -195.760734 4.7343 BFGS: 163 16:47:18 -196.252860 5.5333 BFGS: 164 16:47:18 -196.803502 6.2319 BFGS: 165 16:47:18 -197.401432 6.8027 BFGS: 166 16:47:18 -198.031559 7.2331 BFGS: 167 16:47:19 -198.678015 7.5527 BFGS: 168 16:47:19 -199.328229 7.7664 BFGS: 169 16:47:19 -199.970805 7.8965 BFGS: 170 16:47:19 -200.590852 7.9602 BFGS: 171 16:47:19 -201.166945 7.9736 BFGS: 172 16:47:19 -201.730172 7.9057 BFGS: 173 16:47:19 -202.324166 7.7181 BFGS: 174 16:47:19 -202.991822 7.3681 BFGS: 175 16:47:19 -203.744726 6.8179 BFGS: 176 16:47:19 -204.530427 6.0920 BFGS: 177 16:47:19 -205.352292 5.1955 BFGS: 178 16:47:19 -206.224324 4.1376 BFGS: 179 16:47:19 -206.925556 3.3971 BFGS: 180 16:47:19 -207.562769 3.3628 BFGS: 181 16:47:19 -208.186318 3.7696 BFGS: 182 16:47:19 -208.806390 4.1209 BFGS: 183 16:47:19 -209.420273 4.4159 BFGS: 184 16:47:19 -210.024968 4.6592 BFGS: 185 16:47:19 -210.617036 5.1604 BFGS: 186 16:47:19 -211.193609 5.5554 BFGS: 187 16:47:19 -211.752545 5.8443 BFGS: 188 16:47:19 -212.292951 6.0302 BFGS: 189 16:47:19 -212.812228 6.1161 BFGS: 190 16:47:19 -213.314697 6.1028 BFGS: 191 16:47:19 -213.802082 5.9897 BFGS: 192 16:47:20 -214.277622 5.7749 BFGS: 193 16:47:20 -214.748264 5.4540 BFGS: 194 16:47:20 -215.223697 5.3598 BFGS: 195 16:47:20 -215.716366 5.5255 BFGS: 196 16:47:20 -216.238378 5.8097 BFGS: 197 16:47:20 -216.722247 6.2822 BFGS: 198 16:47:20 -217.341032 7.1547 BFGS: 199 16:47:20 -217.908502 7.6287 BFGS: 200 16:47:20 -218.546082 8.8110 BFGS: 201 16:47:20 -219.249856 9.8384 BFGS: 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2.4151 BFGS: 5221 16:51:13 -463.347110 2.4150 BFGS: 5222 16:51:13 -463.347210 2.4149 BFGS: 5223 16:51:13 -463.347311 2.4148 BFGS: 5224 16:51:13 -463.347411 2.4147 BFGS: 5225 16:51:13 -463.347512 2.4146 BFGS: 5226 16:51:13 -463.347612 2.4145 BFGS: 5227 16:51:13 -463.347712 2.4144 BFGS: 5228 16:51:13 -463.347813 2.4143 BFGS: 5229 16:51:13 -463.347913 2.4142 BFGS: 5230 16:51:13 -463.348014 2.4142 BFGS: 5231 16:51:13 -463.348114 2.4141 BFGS: 5232 16:51:13 -463.348215 2.4140 BFGS: 5233 16:51:13 -463.348315 2.4139 BFGS: 5234 16:51:13 -463.348416 2.4138 BFGS: 5235 16:51:13 -463.348516 2.4137 BFGS: 5236 16:51:13 -463.348616 2.4136 BFGS: 5237 16:51:14 -463.348717 2.4135 BFGS: 5238 16:51:14 -463.348817 2.4134 BFGS: 5239 16:51:14 -463.348918 2.4133 BFGS: 5240 16:51:14 -463.349018 2.4133 BFGS: 5241 16:51:14 -463.349118 2.4132 BFGS: 5242 16:51:14 -463.349219 2.4131 BFGS: 5243 16:51:14 -463.349319 2.4130 BFGS: 5244 16:51:14 -463.349420 2.4129 BFGS: 5245 16:51:14 -463.349520 2.4128 BFGS: 5246 16:51:14 -463.349620 2.4127 BFGS: 5247 16:51:14 -463.349721 2.4126 BFGS: 5248 16:51:14 -463.349821 2.4125 BFGS: 5249 16:51:14 -463.349922 2.4124 BFGS: 5250 16:51:14 -463.350022 2.4124 BFGS: 5251 16:51:14 -463.350122 2.4123 BFGS: 5252 16:51:14 -463.350223 2.4122 BFGS: 5253 16:51:14 -463.350323 2.4121 BFGS: 5254 16:51:14 -463.350423 2.4120 BFGS: 5255 16:51:14 -463.350524 2.4119 BFGS: 5256 16:51:14 -463.350624 2.4118 BFGS: 5257 16:51:14 -463.350725 2.4117 BFGS: 5258 16:51:15 -463.350825 2.4116 BFGS: 5259 16:51:15 -463.350925 2.4115 BFGS: 5260 16:51:15 -463.351026 2.4115 BFGS: 5261 16:51:15 -463.351126 2.4114 BFGS: 5262 16:51:15 -463.351226 2.4113 BFGS: 5263 16:51:15 -463.351327 2.4112 BFGS: 5264 16:51:15 -463.351427 2.4111 BFGS: 5265 16:51:15 -463.351527 2.4110 BFGS: 5266 16:51:15 -463.351628 2.4109 BFGS: 5267 16:51:15 -463.351728 2.4108 BFGS: 5268 16:51:15 -463.351828 2.4107 BFGS: 5269 16:51:15 -463.351929 2.4107 BFGS: 5270 16:51:15 -463.352029 2.4106 BFGS: 5271 16:51:15 -463.352129 2.4105 BFGS: 5272 16:51:15 -463.352229 2.4104 BFGS: 5273 16:51:15 -463.352330 2.4103 BFGS: 5274 16:51:15 -463.352430 2.4102 BFGS: 5275 16:51:15 -463.352530 2.4101 BFGS: 5276 16:51:15 -463.352631 2.4100 BFGS: 5277 16:51:15 -463.352731 2.4100 BFGS: 5278 16:51:15 -463.352831 2.4099 BFGS: 5279 16:51:15 -463.352932 2.4098 BFGS: 5280 16:51:16 -463.353032 2.4097 BFGS: 5281 16:51:16 -463.353132 2.4096 BFGS: 5282 16:51:16 -463.353232 2.4095 BFGS: 5283 16:51:16 -463.353333 2.4094 BFGS: 5284 16:51:16 -463.353433 2.4093 BFGS: 5285 16:51:16 -463.353533 2.4093 BFGS: 5286 16:51:16 -463.353633 2.4092 BFGS: 5287 16:51:16 -463.353734 2.4091 BFGS: 5288 16:51:16 -463.353834 2.4090 BFGS: 5289 16:51:16 -463.353934 2.4089 BFGS: 5290 16:51:16 -463.354034 2.4088 BFGS: 5291 16:51:16 -463.354135 2.4087 BFGS: 5292 16:51:16 -463.354235 2.4086 BFGS: 5293 16:51:16 -463.354335 2.4086 BFGS: 5294 16:51:16 -463.354435 2.4085 BFGS: 5295 16:51:16 -463.354536 2.4084 BFGS: 5296 16:51:16 -463.354636 2.4083 BFGS: 5297 16:51:16 -463.354736 2.4082 BFGS: 5298 16:51:16 -463.354836 2.4081 BFGS: 5299 16:51:16 -463.354937 2.4080 BFGS: 5300 16:51:16 -463.355037 2.4079 BFGS: 5301 16:51:17 -463.355137 2.4079 BFGS: 5302 16:51:17 -463.355237 2.4078 BFGS: 5303 16:51:17 -463.355337 2.4077 BFGS: 5304 16:51:17 -463.355438 2.4076 BFGS: 5305 16:51:17 -463.355538 2.4075 BFGS: 5306 16:51:17 -463.355638 2.4074 BFGS: 5307 16:51:17 -463.355738 2.4073 BFGS: 5308 16:51:17 -463.355839 2.4073 BFGS: 5309 16:51:17 -463.355939 2.4072 BFGS: 5310 16:51:17 -463.356039 2.4071 BFGS: 5311 16:51:17 -463.356139 2.4070 BFGS: 5312 16:51:17 -463.356239 2.4069 BFGS: 5313 16:51:17 -463.356339 2.4068 BFGS: 5314 16:51:17 -463.356440 2.4067 BFGS: 5315 16:51:17 -463.356540 2.4067 BFGS: 5316 16:51:17 -463.356640 2.4066 BFGS: 5317 16:51:17 -463.356740 2.4065 BFGS: 5318 16:51:17 -463.356840 2.4064 BFGS: 5319 16:51:17 -463.356940 2.4063 BFGS: 5320 16:51:17 -463.357041 2.4062 BFGS: 5321 16:51:17 -463.357141 2.4061 BFGS: 5322 16:51:17 -463.357241 2.4061 BFGS: 5323 16:51:18 -463.357341 2.4060 BFGS: 5324 16:51:18 -463.357441 2.4059 BFGS: 5325 16:51:18 -463.357541 2.4058 BFGS: 5326 16:51:18 -463.357642 2.4057 BFGS: 5327 16:51:18 -463.357742 2.4056 BFGS: 5328 16:51:18 -463.357842 2.4055 BFGS: 5329 16:51:18 -463.357942 2.4054 BFGS: 5330 16:51:18 -463.358042 2.4054 BFGS: 5331 16:51:18 -463.358142 2.4053 BFGS: 5332 16:51:18 -463.358242 2.4052 BFGS: 5333 16:51:18 -463.358342 2.4051 BFGS: 5334 16:51:18 -463.358443 2.4050 BFGS: 5335 16:51:18 -463.358543 2.4049 BFGS: 5336 16:51:18 -463.358643 2.4048 BFGS: 5337 16:51:18 -463.358743 2.4048 BFGS: 5338 16:51:18 -463.358843 2.4047 BFGS: 5339 16:51:18 -463.358943 2.4046 BFGS: 5340 16:51:18 -463.359043 2.4045 BFGS: 5341 16:51:18 -463.359143 2.4044 BFGS: 5342 16:51:18 -463.359243 2.4043 BFGS: 5343 16:51:18 -463.359343 2.4042 BFGS: 5344 16:51:19 -463.359443 2.4042 BFGS: 5345 16:51:19 -463.359544 2.4041 BFGS: 5346 16:51:19 -463.359644 2.4040 BFGS: 5347 16:51:19 -463.359744 2.4039 BFGS: 5348 16:51:19 -463.359844 2.4038 BFGS: 5349 16:51:19 -463.359944 2.4037 BFGS: 5350 16:51:19 -463.360044 2.4036 BFGS: 5351 16:51:19 -463.360144 2.4036 BFGS: 5352 16:51:19 -463.360244 2.4035 BFGS: 5353 16:51:19 -463.360344 2.4034 BFGS: 5354 16:51:19 -463.360444 2.4033 BFGS: 5355 16:51:19 -463.360544 2.4032 BFGS: 5356 16:51:19 -463.360644 2.4031 BFGS: 5357 16:51:19 -463.360744 2.4030 BFGS: 5358 16:51:19 -463.360844 2.4030 BFGS: 5359 16:51:19 -463.360944 2.4029 BFGS: 5360 16:51:19 -463.361044 2.4028 BFGS: 5361 16:51:19 -463.361144 2.4027 BFGS: 5362 16:51:19 -463.361244 2.4026 BFGS: 5363 16:51:19 -463.361344 2.4025 BFGS: 5364 16:51:19 -463.361444 2.4024 BFGS: 5365 16:51:20 -463.361544 2.4023 BFGS: 5366 16:51:20 -463.361644 2.4023 BFGS: 5367 16:51:20 -463.361744 2.4022 BFGS: 5368 16:51:20 -463.361844 2.4021 BFGS: 5369 16:51:20 -463.361944 2.4020 BFGS: 5370 16:51:20 -463.362044 2.4019 BFGS: 5371 16:51:20 -463.362144 2.4018 BFGS: 5372 16:51:20 -463.362244 2.4017 BFGS: 5373 16:51:20 -463.362344 2.4017 BFGS: 5374 16:51:20 -463.362444 2.4016 BFGS: 5375 16:51:20 -463.362544 2.4015 BFGS: 5376 16:51:20 -463.362644 2.4014 BFGS: 5377 16:51:20 -463.362744 2.4013 BFGS: 5378 16:51:20 -463.362844 2.4012 BFGS: 5379 16:51:20 -463.362944 2.4011 BFGS: 5380 16:51:20 -463.363044 2.4011 BFGS: 5381 16:51:20 -463.363144 2.4010 BFGS: 5382 16:51:20 -463.363244 2.4009 BFGS: 5383 16:51:20 -463.363344 2.4008 BFGS: 5384 16:51:20 -463.363444 2.4007 BFGS: 5385 16:51:20 -463.363544 2.4006 BFGS: 5386 16:51:20 -463.363644 2.4005 BFGS: 5387 16:51:21 -463.363744 2.4005 BFGS: 5388 16:51:21 -463.363844 2.4004 BFGS: 5389 16:51:21 -463.363944 2.4003 BFGS: 5390 16:51:21 -463.364044 2.4002 BFGS: 5391 16:51:21 -463.364144 2.4001 BFGS: 5392 16:51:21 -463.364243 2.4000 BFGS: 5393 16:51:21 -463.364343 2.3999 BFGS: 5394 16:51:21 -463.364443 2.3999 BFGS: 5395 16:51:21 -463.364543 2.3998 BFGS: 5396 16:51:21 -463.364643 2.3997 BFGS: 5397 16:51:21 -463.364743 2.3996 BFGS: 5398 16:51:21 -463.364843 2.3995 BFGS: 5399 16:51:21 -463.364943 2.3994 BFGS: 5400 16:51:21 -463.365043 2.3993 BFGS: 5401 16:51:21 -463.365143 2.3993 BFGS: 5402 16:51:21 -463.365243 2.3992 BFGS: 5403 16:51:21 -463.365342 2.3991 BFGS: 5404 16:51:21 -463.365442 2.3990 BFGS: 5405 16:51:21 -463.365542 2.3989 BFGS: 5406 16:51:21 -463.365642 2.3988 BFGS: 5407 16:51:21 -463.365742 2.3987 BFGS: 5408 16:51:22 -463.365842 2.3987 BFGS: 5409 16:51:22 -463.365942 2.3986 BFGS: 5410 16:51:22 -463.366042 2.3985 BFGS: 5411 16:51:22 -463.366141 2.3984 BFGS: 5412 16:51:22 -463.366241 2.3983 BFGS: 5413 16:51:22 -463.366341 2.3982 BFGS: 5414 16:51:22 -463.366441 2.3981 BFGS: 5415 16:51:22 -463.366541 2.3981 BFGS: 5416 16:51:22 -463.366641 2.3980 BFGS: 5417 16:51:22 -463.366741 2.3979 BFGS: 5418 16:51:22 -463.366840 2.3978 BFGS: 5419 16:51:22 -463.366940 2.3977 BFGS: 5420 16:51:22 -463.367040 2.3976 BFGS: 5421 16:51:22 -463.367140 2.3975 BFGS: 5422 16:51:22 -463.367240 2.3975 BFGS: 5423 16:51:22 -463.367340 2.3974 BFGS: 5424 16:51:22 -463.367439 2.3973 BFGS: 5425 16:51:22 -463.367539 2.3972 BFGS: 5426 16:51:22 -463.367639 2.3971 BFGS: 5427 16:51:22 -463.367739 2.3970 BFGS: 5428 16:51:22 -463.367839 2.3970 BFGS: 5429 16:51:22 -463.367938 2.3969 BFGS: 5430 16:51:23 -463.368038 2.3968 BFGS: 5431 16:51:23 -463.368138 2.3967 BFGS: 5432 16:51:23 -463.368238 2.3966 BFGS: 5433 16:51:23 -463.368338 2.3965 BFGS: 5434 16:51:23 -463.368437 2.3964 BFGS: 5435 16:51:23 -463.368537 2.3964 BFGS: 5436 16:51:23 -463.368637 2.3963 BFGS: 5437 16:51:23 -463.368737 2.3962 BFGS: 5438 16:51:23 -463.368836 2.3961 BFGS: 5439 16:51:23 -463.368936 2.3960 BFGS: 5440 16:51:23 -463.369036 2.3959 BFGS: 5441 16:51:23 -463.369136 2.3959 BFGS: 5442 16:51:23 -463.369236 2.3958 BFGS: 5443 16:51:23 -463.369335 2.3957 BFGS: 5444 16:51:23 -463.369435 2.3956 BFGS: 5445 16:51:23 -463.369535 2.3955 BFGS: 5446 16:51:23 -463.369635 2.3954 BFGS: 5447 16:51:23 -463.369734 2.3953 BFGS: 5448 16:51:23 -463.369834 2.3953 BFGS: 5449 16:51:23 -463.369934 2.3952 BFGS: 5450 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2.3930 BFGS: 5476 16:51:25 -463.372626 2.3929 BFGS: 5477 16:51:25 -463.372725 2.3928 BFGS: 5478 16:51:25 -463.372825 2.3927 BFGS: 5479 16:51:25 -463.372924 2.3926 BFGS: 5480 16:51:25 -463.373024 2.3925 BFGS: 5481 16:51:25 -463.373124 2.3925 BFGS: 5482 16:51:25 -463.373223 2.3924 BFGS: 5483 16:51:25 -463.373323 2.3923 BFGS: 5484 16:51:25 -463.373423 2.3922 BFGS: 5485 16:51:25 -463.373522 2.3921 BFGS: 5486 16:51:25 -463.373622 2.3920 BFGS: 5487 16:51:25 -463.373721 2.3920 BFGS: 5488 16:51:25 -463.373821 2.3919 BFGS: 5489 16:51:25 -463.373921 2.3918 BFGS: 5490 16:51:25 -463.374020 2.3917 BFGS: 5491 16:51:25 -463.374120 2.3916 BFGS: 5492 16:51:25 -463.374219 2.3915 BFGS: 5493 16:51:25 -463.374319 2.3915 BFGS: 5494 16:51:26 -463.374419 2.3914 BFGS: 5495 16:51:26 -463.374518 2.3913 BFGS: 5496 16:51:26 -463.374618 2.3912 BFGS: 5497 16:51:26 -463.374717 2.3911 BFGS: 5498 16:51:26 -463.374817 2.3910 BFGS: 5499 16:51:26 -463.374917 2.3909 BFGS: 5500 16:51:26 -463.375016 2.3909 BFGS: 5501 16:51:26 -463.375116 2.3908 BFGS: 5502 16:51:26 -463.375215 2.3907 BFGS: 5503 16:51:26 -463.375315 2.3906 BFGS: 5504 16:51:26 -463.375414 2.3905 BFGS: 5505 16:51:26 -463.375514 2.3904 BFGS: 5506 16:51:26 -463.375614 2.3904 BFGS: 5507 16:51:26 -463.375713 2.3903 BFGS: 5508 16:51:26 -463.375813 2.3902 BFGS: 5509 16:51:26 -463.375912 2.3901 BFGS: 5510 16:51:26 -463.376012 2.3900 BFGS: 5511 16:51:26 -463.376111 2.3899 BFGS: 5512 16:51:26 -463.376211 2.3898 BFGS: 5513 16:51:26 -463.376310 2.3898 BFGS: 5514 16:51:26 -463.376410 2.3897 BFGS: 5515 16:51:27 -463.376509 2.3896 BFGS: 5516 16:51:27 -463.376609 2.3895 BFGS: 5517 16:51:27 -463.376708 2.3894 BFGS: 5518 16:51:27 -463.376808 2.3893 BFGS: 5519 16:51:27 -463.376907 2.3893 BFGS: 5520 16:51:27 -463.377007 2.3892 BFGS: 5521 16:51:27 -463.377107 2.3891 BFGS: 5522 16:51:27 -463.377206 2.3890 BFGS: 5523 16:51:27 -463.377306 2.3889 BFGS: 5524 16:51:27 -463.377405 2.3888 BFGS: 5525 16:51:27 -463.377505 2.3888 BFGS: 5526 16:51:27 -463.377604 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16:51:28 -463.380190 2.3865 BFGS: 5553 16:51:28 -463.380289 2.3864 BFGS: 5554 16:51:28 -463.380388 2.3863 BFGS: 5555 16:51:28 -463.380488 2.3863 BFGS: 5556 16:51:28 -463.380587 2.3862 BFGS: 5557 16:51:28 -463.380687 2.3861 BFGS: 5558 16:51:29 -463.380786 2.3860 BFGS: 5559 16:51:29 -463.380885 2.3859 BFGS: 5560 16:51:29 -463.380985 2.3858 BFGS: 5561 16:51:29 -463.381084 2.3858 BFGS: 5562 16:51:29 -463.381184 2.3857 BFGS: 5563 16:51:29 -463.381283 2.3856 BFGS: 5564 16:51:29 -463.381382 2.3855 BFGS: 5565 16:51:29 -463.381482 2.3854 BFGS: 5566 16:51:29 -463.381581 2.3853 BFGS: 5567 16:51:29 -463.381680 2.3852 BFGS: 5568 16:51:29 -463.381780 2.3852 BFGS: 5569 16:51:29 -463.381879 2.3851 BFGS: 5570 16:51:29 -463.381978 2.3850 BFGS: 5571 16:51:29 -463.382078 2.3849 BFGS: 5572 16:51:29 -463.382177 2.3848 BFGS: 5573 16:51:29 -463.382276 2.3848 BFGS: 5574 16:51:29 -463.382376 2.3847 BFGS: 5575 16:51:29 -463.382475 2.3846 BFGS: 5576 16:51:29 -463.382574 2.3845 BFGS: 5577 16:51:29 -463.382674 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2.2942 BFGS: 6700 16:52:22 -463.492122 2.2941 BFGS: 6701 16:52:22 -463.492218 2.2940 BFGS: 6702 16:52:22 -463.492313 2.2939 BFGS: 6703 16:52:22 -463.492409 2.2938 BFGS: 6704 16:52:22 -463.492504 2.2937 BFGS: 6705 16:52:22 -463.492600 2.2937 BFGS: 6706 16:52:22 -463.492695 2.2936 BFGS: 6707 16:52:22 -463.492791 2.2935 BFGS: 6708 16:52:22 -463.492886 2.2934 BFGS: 6709 16:52:22 -463.492982 2.2933 BFGS: 6710 16:52:22 -463.493077 2.2933 BFGS: 6711 16:52:22 -463.493173 2.2932 BFGS: 6712 16:52:23 -463.493268 2.2931 BFGS: 6713 16:52:23 -463.493364 2.2930 BFGS: 6714 16:52:23 -463.493459 2.2929 BFGS: 6715 16:52:23 -463.493555 2.2929 BFGS: 6716 16:52:23 -463.493650 2.2928 BFGS: 6717 16:52:23 -463.493746 2.2927 BFGS: 6718 16:52:23 -463.493841 2.2926 BFGS: 6719 16:52:23 -463.493936 2.2925 BFGS: 6720 16:52:23 -463.494032 2.2925 BFGS: 6721 16:52:23 -463.494127 2.2924 BFGS: 6722 16:52:23 -463.494223 2.2923 BFGS: 6723 16:52:23 -463.494318 2.2922 BFGS: 6724 16:52:23 -463.494414 2.2921 BFGS: 6725 16:52:23 -463.494509 2.2921 BFGS: 6726 16:52:23 -463.494605 2.2920 BFGS: 6727 16:52:23 -463.494700 2.2919 BFGS: 6728 16:52:23 -463.494795 2.2918 BFGS: 6729 16:52:23 -463.494891 2.2917 BFGS: 6730 16:52:23 -463.494986 2.2916 BFGS: 6731 16:52:23 -463.495082 2.2916 BFGS: 6732 16:52:23 -463.495177 2.2915 BFGS: 6733 16:52:24 -463.495273 2.2914 BFGS: 6734 16:52:24 -463.495368 2.2913 BFGS: 6735 16:52:24 -463.495463 2.2912 BFGS: 6736 16:52:24 -463.495559 2.2912 BFGS: 6737 16:52:24 -463.495654 2.2911 BFGS: 6738 16:52:24 -463.495750 2.2910 BFGS: 6739 16:52:24 -463.495845 2.2909 BFGS: 6740 16:52:24 -463.495940 2.2908 BFGS: 6741 16:52:24 -463.496036 2.2908 BFGS: 6742 16:52:24 -463.496131 2.2907 BFGS: 6743 16:52:24 -463.496227 2.2906 BFGS: 6744 16:52:24 -463.496322 2.2905 BFGS: 6745 16:52:24 -463.496417 2.2904 BFGS: 6746 16:52:24 -463.496513 2.2904 BFGS: 6747 16:52:24 -463.496608 2.2903 BFGS: 6748 16:52:24 -463.496703 2.2902 BFGS: 6749 16:52:24 -463.496799 2.2901 BFGS: 6750 16:52:24 -463.496894 2.2900 BFGS: 6751 16:52:24 -463.496989 2.2899 BFGS: 6752 16:52:24 -463.497085 2.2899 BFGS: 6753 16:52:24 -463.497180 2.2898 BFGS: 6754 16:52:24 -463.497275 2.2897 BFGS: 6755 16:52:25 -463.497371 2.2896 BFGS: 6756 16:52:25 -463.497466 2.2895 BFGS: 6757 16:52:25 -463.497561 2.2895 BFGS: 6758 16:52:25 -463.497657 2.2894 BFGS: 6759 16:52:25 -463.497752 2.2893 BFGS: 6760 16:52:25 -463.497847 2.2892 BFGS: 6761 16:52:25 -463.497943 2.2891 BFGS: 6762 16:52:25 -463.498038 2.2890 BFGS: 6763 16:52:25 -463.498133 2.2890 BFGS: 6764 16:52:25 -463.498229 2.2889 BFGS: 6765 16:52:25 -463.498324 2.2888 BFGS: 6766 16:52:25 -463.498419 2.2887 BFGS: 6767 16:52:25 -463.498515 2.2886 BFGS: 6768 16:52:25 -463.498610 2.2886 BFGS: 6769 16:52:25 -463.498705 2.2885 BFGS: 6770 16:52:25 -463.498800 2.2884 BFGS: 6771 16:52:25 -463.498896 2.2883 BFGS: 6772 16:52:25 -463.498991 2.2882 BFGS: 6773 16:52:25 -463.499086 2.2882 BFGS: 6774 16:52:25 -463.499181 2.2881 BFGS: 6775 16:52:25 -463.499277 2.2880 BFGS: 6776 16:52:26 -463.499372 2.2879 BFGS: 6777 16:52:26 -463.499467 2.2878 BFGS: 6778 16:52:26 -463.499563 2.2877 BFGS: 6779 16:52:26 -463.499658 2.2877 BFGS: 6780 16:52:26 -463.499753 2.2876 BFGS: 6781 16:52:26 -463.499848 2.2875 BFGS: 6782 16:52:26 -463.499944 2.2874 BFGS: 6783 16:52:26 -463.500039 2.2873 BFGS: 6784 16:52:26 -463.500134 2.2873 BFGS: 6785 16:52:26 -463.500229 2.2872 BFGS: 6786 16:52:26 -463.500324 2.2871 BFGS: 6787 16:52:26 -463.500420 2.2870 BFGS: 6788 16:52:26 -463.500515 2.2869 BFGS: 6789 16:52:26 -463.500610 2.2869 BFGS: 6790 16:52:26 -463.500705 2.2868 BFGS: 6791 16:52:26 -463.500801 2.2867 BFGS: 6792 16:52:26 -463.500896 2.2866 BFGS: 6793 16:52:26 -463.500991 2.2865 BFGS: 6794 16:52:26 -463.501086 2.2865 BFGS: 6795 16:52:26 -463.501181 2.2864 BFGS: 6796 16:52:26 -463.501277 2.2863 BFGS: 6797 16:52:27 -463.501372 2.2862 BFGS: 6798 16:52:27 -463.501467 2.2861 BFGS: 6799 16:52:27 -463.501562 2.2860 BFGS: 6800 16:52:27 -463.501657 2.2860 BFGS: 6801 16:52:27 -463.501752 2.2859 BFGS: 6802 16:52:27 -463.501848 2.2858 BFGS: 6803 16:52:27 -463.501943 2.2857 BFGS: 6804 16:52:27 -463.502038 2.2856 BFGS: 6805 16:52:27 -463.502133 2.2856 BFGS: 6806 16:52:27 -463.502228 2.2855 BFGS: 6807 16:52:27 -463.502323 2.2854 BFGS: 6808 16:52:27 -463.502419 2.2853 BFGS: 6809 16:52:27 -463.502514 2.2852 BFGS: 6810 16:52:27 -463.502609 2.2852 BFGS: 6811 16:52:27 -463.502704 2.2851 BFGS: 6812 16:52:27 -463.502799 2.2850 BFGS: 6813 16:52:27 -463.502894 2.2849 BFGS: 6814 16:52:27 -463.502989 2.2848 BFGS: 6815 16:52:27 -463.503084 2.2848 BFGS: 6816 16:52:27 -463.503180 2.2847 BFGS: 6817 16:52:27 -463.503275 2.2846 BFGS: 6818 16:52:28 -463.503370 2.2845 BFGS: 6819 16:52:28 -463.503465 2.2844 BFGS: 6820 16:52:28 -463.503560 2.2844 BFGS: 6821 16:52:28 -463.503655 2.2843 BFGS: 6822 16:52:28 -463.503750 2.2842 BFGS: 6823 16:52:28 -463.503845 2.2841 BFGS: 6824 16:52:28 -463.503940 2.2840 BFGS: 6825 16:52:28 -463.504036 2.2839 BFGS: 6826 16:52:28 -463.504131 2.2839 BFGS: 6827 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2.2734 BFGS: 6955 16:52:34 -463.516367 2.2734 BFGS: 6956 16:52:34 -463.516462 2.2733 BFGS: 6957 16:52:34 -463.516556 2.2732 BFGS: 6958 16:52:34 -463.516651 2.2731 BFGS: 6959 16:52:34 -463.516745 2.2730 BFGS: 6960 16:52:34 -463.516840 2.2730 BFGS: 6961 16:52:34 -463.516935 2.2729 BFGS: 6962 16:52:34 -463.517029 2.2728 BFGS: 6963 16:52:34 -463.517124 2.2727 BFGS: 6964 16:52:34 -463.517219 2.2726 BFGS: 6965 16:52:34 -463.517313 2.2725 BFGS: 6966 16:52:34 -463.517408 2.2725 BFGS: 6967 16:52:34 -463.517502 2.2724 BFGS: 6968 16:52:35 -463.517597 2.2723 BFGS: 6969 16:52:35 -463.517691 2.2722 BFGS: 6970 16:52:35 -463.517786 2.2721 BFGS: 6971 16:52:35 -463.517881 2.2721 BFGS: 6972 16:52:35 -463.517975 2.2720 BFGS: 6973 16:52:35 -463.518070 2.2719 BFGS: 6974 16:52:35 -463.518164 2.2718 BFGS: 6975 16:52:35 -463.518259 2.2717 BFGS: 6976 16:52:35 -463.518353 2.2716 BFGS: 6977 16:52:35 -463.518448 2.2716 BFGS: 6978 16:52:35 -463.518543 2.2715 BFGS: 6979 16:52:35 -463.518637 2.2714 BFGS: 6980 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2.2693 BFGS: 7006 16:52:36 -463.521188 2.2692 BFGS: 7007 16:52:36 -463.521283 2.2691 BFGS: 7008 16:52:36 -463.521377 2.2690 BFGS: 7009 16:52:36 -463.521472 2.2690 BFGS: 7010 16:52:36 -463.521566 2.2689 BFGS: 7011 16:52:37 -463.521661 2.2688 BFGS: 7012 16:52:37 -463.521755 2.2687 BFGS: 7013 16:52:37 -463.521849 2.2686 BFGS: 7014 16:52:37 -463.521944 2.2686 BFGS: 7015 16:52:37 -463.522038 2.2685 BFGS: 7016 16:52:37 -463.522133 2.2684 BFGS: 7017 16:52:37 -463.522227 2.2683 BFGS: 7018 16:52:37 -463.522322 2.2682 BFGS: 7019 16:52:37 -463.522416 2.2682 BFGS: 7020 16:52:37 -463.522510 2.2681 BFGS: 7021 16:52:37 -463.522605 2.2680 BFGS: 7022 16:52:37 -463.522699 2.2679 BFGS: 7023 16:52:37 -463.522794 2.2678 BFGS: 7024 16:52:37 -463.522888 2.2677 BFGS: 7025 16:52:37 -463.522982 2.2677 BFGS: 7026 16:52:37 -463.523077 2.2676 BFGS: 7027 16:52:37 -463.523171 2.2675 BFGS: 7028 16:52:37 -463.523265 2.2674 BFGS: 7029 16:52:37 -463.523360 2.2673 BFGS: 7030 16:52:37 -463.523454 2.2672 BFGS: 7031 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2.2651 BFGS: 7057 16:52:39 -463.526001 2.2650 BFGS: 7058 16:52:39 -463.526095 2.2649 BFGS: 7059 16:52:39 -463.526189 2.2649 BFGS: 7060 16:52:39 -463.526283 2.2648 BFGS: 7061 16:52:39 -463.526378 2.2647 BFGS: 7062 16:52:39 -463.526472 2.2646 BFGS: 7063 16:52:39 -463.526566 2.2645 BFGS: 7064 16:52:39 -463.526660 2.2645 BFGS: 7065 16:52:39 -463.526755 2.2644 BFGS: 7066 16:52:39 -463.526849 2.2643 BFGS: 7067 16:52:39 -463.526943 2.2642 BFGS: 7068 16:52:39 -463.527037 2.2641 BFGS: 7069 16:52:39 -463.527132 2.2640 BFGS: 7070 16:52:39 -463.527226 2.2640 BFGS: 7071 16:52:39 -463.527320 2.2639 BFGS: 7072 16:52:39 -463.527414 2.2638 BFGS: 7073 16:52:39 -463.527508 2.2637 BFGS: 7074 16:52:39 -463.527603 2.2636 BFGS: 7075 16:52:40 -463.527697 2.2635 BFGS: 7076 16:52:40 -463.527791 2.2635 BFGS: 7077 16:52:40 -463.527885 2.2634 BFGS: 7078 16:52:40 -463.527979 2.2633 BFGS: 7079 16:52:40 -463.528074 2.2632 BFGS: 7080 16:52:40 -463.528168 2.2631 BFGS: 7081 16:52:40 -463.528262 2.2630 BFGS: 7082 16:52:40 -463.528356 2.2629 BFGS: 7083 16:52:40 -463.528450 2.2629 BFGS: 7084 16:52:40 -463.528545 2.2628 BFGS: 7085 16:52:40 -463.528639 2.2627 BFGS: 7086 16:52:40 -463.528733 2.2626 BFGS: 7087 16:52:40 -463.528827 2.2625 BFGS: 7088 16:52:40 -463.528921 2.2624 BFGS: 7089 16:52:40 -463.529015 2.2624 BFGS: 7090 16:52:40 -463.529110 2.2623 BFGS: 7091 16:52:40 -463.529204 2.2622 BFGS: 7092 16:52:40 -463.529298 2.2621 BFGS: 7093 16:52:40 -463.529392 2.2620 BFGS: 7094 16:52:40 -463.529486 2.2620 BFGS: 7095 16:52:40 -463.529580 2.2619 BFGS: 7096 16:52:40 -463.529674 2.2618 BFGS: 7097 16:52:41 -463.529768 2.2617 BFGS: 7098 16:52:41 -463.529863 2.2616 BFGS: 7099 16:52:41 -463.529957 2.2615 BFGS: 7100 16:52:41 -463.530051 2.2615 BFGS: 7101 16:52:41 -463.530145 2.2614 BFGS: 7102 16:52:41 -463.530239 2.2613 BFGS: 7103 16:52:41 -463.530333 2.2612 BFGS: 7104 16:52:41 -463.530427 2.2611 BFGS: 7105 16:52:41 -463.530521 2.2610 BFGS: 7106 16:52:41 -463.530615 2.2610 BFGS: 7107 16:52:41 -463.530710 2.2609 BFGS: 7108 16:52:41 -463.530804 2.2608 BFGS: 7109 16:52:41 -463.530898 2.2607 BFGS: 7110 16:52:41 -463.530992 2.2606 BFGS: 7111 16:52:41 -463.531086 2.2605 BFGS: 7112 16:52:41 -463.531180 2.2605 BFGS: 7113 16:52:41 -463.531274 2.2604 BFGS: 7114 16:52:41 -463.531368 2.2603 BFGS: 7115 16:52:41 -463.531462 2.2602 BFGS: 7116 16:52:41 -463.531556 2.2601 BFGS: 7117 16:52:41 -463.531650 2.2601 BFGS: 7118 16:52:42 -463.531744 2.2600 BFGS: 7119 16:52:42 -463.531838 2.2599 BFGS: 7120 16:52:42 -463.531932 2.2598 BFGS: 7121 16:52:42 -463.532026 2.2597 BFGS: 7122 16:52:42 -463.532120 2.2596 BFGS: 7123 16:52:42 -463.532215 2.2596 BFGS: 7124 16:52:42 -463.532309 2.2595 BFGS: 7125 16:52:42 -463.532403 2.2594 BFGS: 7126 16:52:42 -463.532497 2.2593 BFGS: 7127 16:52:42 -463.532591 2.2592 BFGS: 7128 16:52:42 -463.532685 2.2592 BFGS: 7129 16:52:42 -463.532779 2.2591 BFGS: 7130 16:52:42 -463.532873 2.2590 BFGS: 7131 16:52:42 -463.532967 2.2589 BFGS: 7132 16:52:42 -463.533061 2.2588 BFGS: 7133 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2.2567 BFGS: 7159 16:52:43 -463.535597 2.2566 BFGS: 7160 16:52:43 -463.535691 2.2565 BFGS: 7161 16:52:44 -463.535785 2.2564 BFGS: 7162 16:52:44 -463.535879 2.2563 BFGS: 7163 16:52:44 -463.535973 2.2563 BFGS: 7164 16:52:44 -463.536067 2.2562 BFGS: 7165 16:52:44 -463.536161 2.2561 BFGS: 7166 16:52:44 -463.536255 2.2560 BFGS: 7167 16:52:44 -463.536349 2.2559 BFGS: 7168 16:52:44 -463.536442 2.2558 BFGS: 7169 16:52:44 -463.536536 2.2558 BFGS: 7170 16:52:44 -463.536630 2.2557 BFGS: 7171 16:52:44 -463.536724 2.2556 BFGS: 7172 16:52:44 -463.536818 2.2555 BFGS: 7173 16:52:44 -463.536912 2.2554 BFGS: 7174 16:52:44 -463.537006 2.2553 BFGS: 7175 16:52:44 -463.537099 2.2553 BFGS: 7176 16:52:44 -463.537193 2.2552 BFGS: 7177 16:52:44 -463.537287 2.2551 BFGS: 7178 16:52:44 -463.537381 2.2550 BFGS: 7179 16:52:44 -463.537475 2.2549 BFGS: 7180 16:52:44 -463.537569 2.2548 BFGS: 7181 16:52:44 -463.537662 2.2548 BFGS: 7182 16:52:45 -463.537756 2.2547 BFGS: 7183 16:52:45 -463.537850 2.2546 BFGS: 7184 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2.2524 BFGS: 7210 16:52:46 -463.540382 2.2524 BFGS: 7211 16:52:46 -463.540476 2.2523 BFGS: 7212 16:52:46 -463.540569 2.2522 BFGS: 7213 16:52:46 -463.540663 2.2521 BFGS: 7214 16:52:46 -463.540757 2.2520 BFGS: 7215 16:52:46 -463.540850 2.2519 BFGS: 7216 16:52:46 -463.540944 2.2519 BFGS: 7217 16:52:46 -463.541038 2.2518 BFGS: 7218 16:52:46 -463.541132 2.2517 BFGS: 7219 16:52:46 -463.541225 2.2516 BFGS: 7220 16:52:46 -463.541319 2.2515 BFGS: 7221 16:52:46 -463.541413 2.2514 BFGS: 7222 16:52:46 -463.541506 2.2514 BFGS: 7223 16:52:46 -463.541600 2.2513 BFGS: 7224 16:52:47 -463.541694 2.2512 BFGS: 7225 16:52:47 -463.541787 2.2511 BFGS: 7226 16:52:47 -463.541881 2.2510 BFGS: 7227 16:52:47 -463.541975 2.2509 BFGS: 7228 16:52:47 -463.542068 2.2509 BFGS: 7229 16:52:47 -463.542162 2.2508 BFGS: 7230 16:52:47 -463.542256 2.2507 BFGS: 7231 16:52:47 -463.542349 2.2506 BFGS: 7232 16:52:47 -463.542443 2.2505 BFGS: 7233 16:52:47 -463.542537 2.2504 BFGS: 7234 16:52:47 -463.542630 2.2504 BFGS: 7235 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2.2482 BFGS: 7261 16:52:48 -463.545157 2.2481 BFGS: 7262 16:52:48 -463.545251 2.2480 BFGS: 7263 16:52:48 -463.545344 2.2480 BFGS: 7264 16:52:48 -463.545438 2.2479 BFGS: 7265 16:52:48 -463.545531 2.2478 BFGS: 7266 16:52:48 -463.545625 2.2477 BFGS: 7267 16:52:49 -463.545718 2.2476 BFGS: 7268 16:52:49 -463.545812 2.2475 BFGS: 7269 16:52:49 -463.545905 2.2475 BFGS: 7270 16:52:49 -463.545999 2.2474 BFGS: 7271 16:52:49 -463.546092 2.2473 BFGS: 7272 16:52:49 -463.546186 2.2472 BFGS: 7273 16:52:49 -463.546279 2.2471 BFGS: 7274 16:52:49 -463.546373 2.2470 BFGS: 7275 16:52:49 -463.546466 2.2470 BFGS: 7276 16:52:49 -463.546560 2.2469 BFGS: 7277 16:52:49 -463.546653 2.2468 BFGS: 7278 16:52:49 -463.546747 2.2467 BFGS: 7279 16:52:49 -463.546840 2.2466 BFGS: 7280 16:52:49 -463.546934 2.2465 BFGS: 7281 16:52:49 -463.547027 2.2465 BFGS: 7282 16:52:49 -463.547121 2.2464 BFGS: 7283 16:52:49 -463.547214 2.2463 BFGS: 7284 16:52:49 -463.547308 2.2462 BFGS: 7285 16:52:49 -463.547401 2.2461 BFGS: 7286 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2.2440 BFGS: 7312 16:52:51 -463.549923 2.2439 BFGS: 7313 16:52:51 -463.550017 2.2438 BFGS: 7314 16:52:51 -463.550110 2.2437 BFGS: 7315 16:52:51 -463.550203 2.2436 BFGS: 7316 16:52:51 -463.550297 2.2435 BFGS: 7317 16:52:51 -463.550390 2.2434 BFGS: 7318 16:52:51 -463.550483 2.2434 BFGS: 7319 16:52:51 -463.550577 2.2433 BFGS: 7320 16:52:51 -463.550670 2.2432 BFGS: 7321 16:52:51 -463.550763 2.2431 BFGS: 7322 16:52:51 -463.550857 2.2430 BFGS: 7323 16:52:51 -463.550950 2.2429 BFGS: 7324 16:52:51 -463.551043 2.2429 BFGS: 7325 16:52:51 -463.551137 2.2428 BFGS: 7326 16:52:51 -463.551230 2.2427 BFGS: 7327 16:52:51 -463.551323 2.2426 BFGS: 7328 16:52:51 -463.551417 2.2425 BFGS: 7329 16:52:51 -463.551510 2.2424 BFGS: 7330 16:52:51 -463.551603 2.2424 BFGS: 7331 16:52:52 -463.551696 2.2423 BFGS: 7332 16:52:52 -463.551790 2.2422 BFGS: 7333 16:52:52 -463.551883 2.2421 BFGS: 7334 16:52:52 -463.551976 2.2420 BFGS: 7335 16:52:52 -463.552070 2.2419 BFGS: 7336 16:52:52 -463.552163 2.2419 BFGS: 7337 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2.2397 BFGS: 7363 16:52:53 -463.554680 2.2396 BFGS: 7364 16:52:53 -463.554773 2.2395 BFGS: 7365 16:52:53 -463.554866 2.2395 BFGS: 7366 16:52:53 -463.554960 2.2394 BFGS: 7367 16:52:53 -463.555053 2.2393 BFGS: 7368 16:52:53 -463.555146 2.2392 BFGS: 7369 16:52:53 -463.555239 2.2391 BFGS: 7370 16:52:53 -463.555332 2.2390 BFGS: 7371 16:52:53 -463.555425 2.2390 BFGS: 7372 16:52:53 -463.555519 2.2389 BFGS: 7373 16:52:53 -463.555612 2.2388 BFGS: 7374 16:52:54 -463.555705 2.2387 BFGS: 7375 16:52:54 -463.555798 2.2386 BFGS: 7376 16:52:54 -463.555891 2.2385 BFGS: 7377 16:52:54 -463.555984 2.2385 BFGS: 7378 16:52:54 -463.556077 2.2384 BFGS: 7379 16:52:54 -463.556171 2.2383 BFGS: 7380 16:52:54 -463.556264 2.2382 BFGS: 7381 16:52:54 -463.556357 2.2381 BFGS: 7382 16:52:54 -463.556450 2.2380 BFGS: 7383 16:52:54 -463.556543 2.2380 BFGS: 7384 16:52:54 -463.556636 2.2379 BFGS: 7385 16:52:54 -463.556729 2.2378 BFGS: 7386 16:52:54 -463.556822 2.2377 BFGS: 7387 16:52:54 -463.556915 2.2376 BFGS: 7388 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2.2355 BFGS: 7414 16:52:55 -463.559428 2.2354 BFGS: 7415 16:52:55 -463.559521 2.2353 BFGS: 7416 16:52:55 -463.559614 2.2352 BFGS: 7417 16:52:56 -463.559707 2.2351 BFGS: 7418 16:52:56 -463.559800 2.2350 BFGS: 7419 16:52:56 -463.559893 2.2349 BFGS: 7420 16:52:56 -463.559986 2.2349 BFGS: 7421 16:52:56 -463.560079 2.2348 BFGS: 7422 16:52:56 -463.560172 2.2347 BFGS: 7423 16:52:56 -463.560264 2.2346 BFGS: 7424 16:52:56 -463.560357 2.2345 BFGS: 7425 16:52:56 -463.560450 2.2344 BFGS: 7426 16:52:56 -463.560543 2.2344 BFGS: 7427 16:52:56 -463.560636 2.2343 BFGS: 7428 16:52:56 -463.560729 2.2342 BFGS: 7429 16:52:56 -463.560822 2.2341 BFGS: 7430 16:52:56 -463.560915 2.2340 BFGS: 7431 16:52:56 -463.561008 2.2339 BFGS: 7432 16:52:56 -463.561101 2.2339 BFGS: 7433 16:52:56 -463.561194 2.2338 BFGS: 7434 16:52:56 -463.561287 2.2337 BFGS: 7435 16:52:56 -463.561380 2.2336 BFGS: 7436 16:52:56 -463.561473 2.2335 BFGS: 7437 16:52:56 -463.561566 2.2334 BFGS: 7438 16:52:57 -463.561659 2.2333 BFGS: 7439 16:52:57 -463.561751 2.2333 BFGS: 7440 16:52:57 -463.561844 2.2332 BFGS: 7441 16:52:57 -463.561937 2.2331 BFGS: 7442 16:52:57 -463.562030 2.2330 BFGS: 7443 16:52:57 -463.562123 2.2329 BFGS: 7444 16:52:57 -463.562216 2.2328 BFGS: 7445 16:52:57 -463.562309 2.2328 BFGS: 7446 16:52:57 -463.562402 2.2327 BFGS: 7447 16:52:57 -463.562495 2.2326 BFGS: 7448 16:52:57 -463.562588 2.2325 BFGS: 7449 16:52:57 -463.562680 2.2324 BFGS: 7450 16:52:57 -463.562773 2.2323 BFGS: 7451 16:52:57 -463.562866 2.2323 BFGS: 7452 16:52:57 -463.562959 2.2322 BFGS: 7453 16:52:57 -463.563052 2.2321 BFGS: 7454 16:52:57 -463.563145 2.2320 BFGS: 7455 16:52:57 -463.563238 2.2319 BFGS: 7456 16:52:57 -463.563330 2.2318 BFGS: 7457 16:52:57 -463.563423 2.2317 BFGS: 7458 16:52:57 -463.563516 2.2317 BFGS: 7459 16:52:58 -463.563609 2.2316 BFGS: 7460 16:52:58 -463.563702 2.2315 BFGS: 7461 16:52:58 -463.563795 2.2314 BFGS: 7462 16:52:58 -463.563887 2.2313 BFGS: 7463 16:52:58 -463.563980 2.2312 BFGS: 7464 16:52:58 -463.564073 2.2312 BFGS: 7465 16:52:58 -463.564166 2.2311 BFGS: 7466 16:52:58 -463.564259 2.2310 BFGS: 7467 16:52:58 -463.564352 2.2309 BFGS: 7468 16:52:58 -463.564444 2.2308 BFGS: 7469 16:52:58 -463.564537 2.2307 BFGS: 7470 16:52:58 -463.564630 2.2307 BFGS: 7471 16:52:58 -463.564723 2.2306 BFGS: 7472 16:52:58 -463.564816 2.2305 BFGS: 7473 16:52:58 -463.564908 2.2304 BFGS: 7474 16:52:58 -463.565001 2.2303 BFGS: 7475 16:52:58 -463.565094 2.2302 BFGS: 7476 16:52:58 -463.565187 2.2301 BFGS: 7477 16:52:58 -463.565279 2.2301 BFGS: 7478 16:52:58 -463.565372 2.2300 BFGS: 7479 16:52:58 -463.565465 2.2299 BFGS: 7480 16:52:58 -463.565558 2.2298 BFGS: 7481 16:52:59 -463.565651 2.2297 BFGS: 7482 16:52:59 -463.565743 2.2296 BFGS: 7483 16:52:59 -463.565836 2.2296 BFGS: 7484 16:52:59 -463.565929 2.2295 BFGS: 7485 16:52:59 -463.566022 2.2294 BFGS: 7486 16:52:59 -463.566114 2.2293 BFGS: 7487 16:52:59 -463.566207 2.2292 BFGS: 7488 16:52:59 -463.566300 2.2291 BFGS: 7489 16:52:59 -463.566392 2.2291 BFGS: 7490 16:52:59 -463.566485 2.2290 BFGS: 7491 16:52:59 -463.566578 2.2289 BFGS: 7492 16:52:59 -463.566671 2.2288 BFGS: 7493 16:52:59 -463.566763 2.2287 BFGS: 7494 16:52:59 -463.566856 2.2287 BFGS: 7495 16:52:59 -463.566949 2.2286 BFGS: 7496 16:52:59 -463.567042 2.2285 BFGS: 7497 16:52:59 -463.567134 2.2284 BFGS: 7498 16:52:59 -463.567227 2.2283 BFGS: 7499 16:52:59 -463.567320 2.2282 BFGS: 7500 16:52:59 -463.567412 2.2282 BFGS: 7501 16:52:59 -463.567505 2.2281 BFGS: 7502 16:53:00 -463.567598 2.2280 BFGS: 7503 16:53:00 -463.567690 2.2279 BFGS: 7504 16:53:00 -463.567783 2.2278 BFGS: 7505 16:53:00 -463.567876 2.2277 BFGS: 7506 16:53:00 -463.567968 2.2276 BFGS: 7507 16:53:00 -463.568061 2.2276 BFGS: 7508 16:53:00 -463.568154 2.2275 BFGS: 7509 16:53:00 -463.568246 2.2274 BFGS: 7510 16:53:00 -463.568339 2.2273 BFGS: 7511 16:53:00 -463.568432 2.2272 BFGS: 7512 16:53:00 -463.568524 2.2271 BFGS: 7513 16:53:00 -463.568617 2.2271 BFGS: 7514 16:53:00 -463.568710 2.2270 BFGS: 7515 16:53:00 -463.568802 2.2269 BFGS: 7516 16:53:00 -463.568895 2.2268 BFGS: 7517 16:53:00 -463.568988 2.2267 BFGS: 7518 16:53:00 -463.569080 2.2266 BFGS: 7519 16:53:00 -463.569173 2.2266 BFGS: 7520 16:53:00 -463.569265 2.2265 BFGS: 7521 16:53:00 -463.569358 2.2264 BFGS: 7522 16:53:00 -463.569451 2.2263 BFGS: 7523 16:53:01 -463.569543 2.2262 BFGS: 7524 16:53:01 -463.569636 2.2261 BFGS: 7525 16:53:01 -463.569728 2.2260 BFGS: 7526 16:53:01 -463.569821 2.2260 BFGS: 7527 16:53:01 -463.569914 2.2259 BFGS: 7528 16:53:01 -463.570006 2.2258 BFGS: 7529 16:53:01 -463.570099 2.2257 BFGS: 7530 16:53:01 -463.570191 2.2256 BFGS: 7531 16:53:01 -463.570284 2.2255 BFGS: 7532 16:53:01 -463.570377 2.2255 BFGS: 7533 16:53:01 -463.570469 2.2254 BFGS: 7534 16:53:01 -463.570562 2.2253 BFGS: 7535 16:53:01 -463.570654 2.2252 BFGS: 7536 16:53:01 -463.570747 2.2251 BFGS: 7537 16:53:01 -463.570839 2.2250 BFGS: 7538 16:53:01 -463.570932 2.2250 BFGS: 7539 16:53:01 -463.571025 2.2249 BFGS: 7540 16:53:01 -463.571117 2.2248 BFGS: 7541 16:53:01 -463.571210 2.2247 BFGS: 7542 16:53:01 -463.571302 2.2246 BFGS: 7543 16:53:01 -463.571395 2.2245 BFGS: 7544 16:53:01 -463.571487 2.2245 BFGS: 7545 16:53:02 -463.571580 2.2244 BFGS: 7546 16:53:02 -463.571672 2.2243 BFGS: 7547 16:53:02 -463.571765 2.2242 BFGS: 7548 16:53:02 -463.571857 2.2241 BFGS: 7549 16:53:02 -463.571950 2.2240 BFGS: 7550 16:53:02 -463.572042 2.2239 BFGS: 7551 16:53:02 -463.572135 2.2239 BFGS: 7552 16:53:02 -463.572227 2.2238 BFGS: 7553 16:53:02 -463.572320 2.2237 BFGS: 7554 16:53:02 -463.572412 2.2236 BFGS: 7555 16:53:02 -463.572505 2.2235 BFGS: 7556 16:53:02 -463.572597 2.2234 BFGS: 7557 16:53:02 -463.572690 2.2234 BFGS: 7558 16:53:02 -463.572782 2.2233 BFGS: 7559 16:53:02 -463.572875 2.2232 BFGS: 7560 16:53:02 -463.572967 2.2231 BFGS: 7561 16:53:02 -463.573060 2.2230 BFGS: 7562 16:53:02 -463.573152 2.2229 BFGS: 7563 16:53:02 -463.573245 2.2228 BFGS: 7564 16:53:02 -463.573337 2.2228 BFGS: 7565 16:53:02 -463.573430 2.2227 BFGS: 7566 16:53:03 -463.573522 2.2226 BFGS: 7567 16:53:03 -463.573615 2.2225 BFGS: 7568 16:53:03 -463.573707 2.2224 BFGS: 7569 16:53:03 -463.573800 2.2223 BFGS: 7570 16:53:03 -463.573892 2.2222 BFGS: 7571 16:53:03 -463.573984 2.2222 BFGS: 7572 16:53:03 -463.574077 2.2221 BFGS: 7573 16:53:03 -463.574169 2.2220 BFGS: 7574 16:53:03 -463.574262 2.2219 BFGS: 7575 16:53:03 -463.574354 2.2218 BFGS: 7576 16:53:03 -463.574447 2.2217 BFGS: 7577 16:53:03 -463.574539 2.2216 BFGS: 7578 16:53:03 -463.574631 2.2216 BFGS: 7579 16:53:03 -463.574724 2.2215 BFGS: 7580 16:53:03 -463.574816 2.2214 BFGS: 7581 16:53:03 -463.574909 2.2213 BFGS: 7582 16:53:03 -463.575001 2.2212 BFGS: 7583 16:53:03 -463.575093 2.2211 BFGS: 7584 16:53:03 -463.575186 2.2211 BFGS: 7585 16:53:03 -463.575278 2.2210 BFGS: 7586 16:53:03 -463.575371 2.2209 BFGS: 7587 16:53:04 -463.575463 2.2208 BFGS: 7588 16:53:04 -463.575555 2.2207 BFGS: 7589 16:53:04 -463.575648 2.2206 BFGS: 7590 16:53:04 -463.575740 2.2205 BFGS: 7591 16:53:04 -463.575833 2.2205 BFGS: 7592 16:53:04 -463.575925 2.2204 BFGS: 7593 16:53:04 -463.576017 2.2203 BFGS: 7594 16:53:04 -463.576110 2.2202 BFGS: 7595 16:53:04 -463.576202 2.2201 BFGS: 7596 16:53:04 -463.576294 2.2200 BFGS: 7597 16:53:04 -463.576387 2.2199 BFGS: 7598 16:53:04 -463.576479 2.2199 BFGS: 7599 16:53:04 -463.576571 2.2198 BFGS: 7600 16:53:04 -463.576664 2.2197 BFGS: 7601 16:53:04 -463.576756 2.2196 BFGS: 7602 16:53:04 -463.576848 2.2195 BFGS: 7603 16:53:04 -463.576941 2.2194 BFGS: 7604 16:53:04 -463.577033 2.2193 BFGS: 7605 16:53:04 -463.577125 2.2193 BFGS: 7606 16:53:04 -463.577218 2.2192 BFGS: 7607 16:53:04 -463.577310 2.2191 BFGS: 7608 16:53:04 -463.577402 2.2190 BFGS: 7609 16:53:05 -463.577495 2.2189 BFGS: 7610 16:53:05 -463.577587 2.2188 BFGS: 7611 16:53:05 -463.577679 2.2187 BFGS: 7612 16:53:05 -463.577771 2.2187 BFGS: 7613 16:53:05 -463.577864 2.2186 BFGS: 7614 16:53:05 -463.577956 2.2185 BFGS: 7615 16:53:05 -463.578048 2.2184 BFGS: 7616 16:53:05 -463.578141 2.2183 BFGS: 7617 16:53:05 -463.578233 2.2182 BFGS: 7618 16:53:05 -463.578325 2.2181 BFGS: 7619 16:53:05 -463.578417 2.2181 BFGS: 7620 16:53:05 -463.578510 2.2180 BFGS: 7621 16:53:05 -463.578602 2.2179 BFGS: 7622 16:53:05 -463.578694 2.2178 BFGS: 7623 16:53:05 -463.578786 2.2177 BFGS: 7624 16:53:05 -463.578879 2.2176 BFGS: 7625 16:53:05 -463.578971 2.2176 BFGS: 7626 16:53:05 -463.579063 2.2175 BFGS: 7627 16:53:05 -463.579155 2.2174 BFGS: 7628 16:53:05 -463.579248 2.2173 BFGS: 7629 16:53:05 -463.579340 2.2172 BFGS: 7630 16:53:06 -463.579432 2.2171 BFGS: 7631 16:53:06 -463.579524 2.2170 BFGS: 7632 16:53:06 -463.579617 2.2169 BFGS: 7633 16:53:06 -463.579709 2.2169 BFGS: 7634 16:53:06 -463.579801 2.2168 BFGS: 7635 16:53:06 -463.579893 2.2167 BFGS: 7636 16:53:06 -463.579985 2.2166 BFGS: 7637 16:53:06 -463.580078 2.2165 BFGS: 7638 16:53:06 -463.580170 2.2164 BFGS: 7639 16:53:06 -463.580262 2.2164 BFGS: 7640 16:53:06 -463.580354 2.2163 BFGS: 7641 16:53:06 -463.580446 2.2162 BFGS: 7642 16:53:06 -463.580539 2.2161 BFGS: 7643 16:53:06 -463.580631 2.2160 BFGS: 7644 16:53:06 -463.580723 2.2159 BFGS: 7645 16:53:06 -463.580815 2.2158 BFGS: 7646 16:53:06 -463.580907 2.2158 BFGS: 7647 16:53:06 -463.580999 2.2157 BFGS: 7648 16:53:06 -463.581092 2.2156 BFGS: 7649 16:53:06 -463.581184 2.2155 BFGS: 7650 16:53:06 -463.581276 2.2154 BFGS: 7651 16:53:06 -463.581368 2.2153 BFGS: 7652 16:53:07 -463.581460 2.2152 BFGS: 7653 16:53:07 -463.581552 2.2152 BFGS: 7654 16:53:07 -463.581645 2.2151 BFGS: 7655 16:53:07 -463.581737 2.2150 BFGS: 7656 16:53:07 -463.581829 2.2149 BFGS: 7657 16:53:07 -463.581921 2.2148 BFGS: 7658 16:53:07 -463.582013 2.2147 BFGS: 7659 16:53:07 -463.582105 2.2147 BFGS: 7660 16:53:07 -463.582197 2.2146 BFGS: 7661 16:53:07 -463.582289 2.2145 BFGS: 7662 16:53:07 -463.582382 2.2144 BFGS: 7663 16:53:07 -463.582474 2.2143 BFGS: 7664 16:53:07 -463.582566 2.2142 BFGS: 7665 16:53:07 -463.582658 2.2141 BFGS: 7666 16:53:07 -463.582750 2.2141 BFGS: 7667 16:53:07 -463.582842 2.2140 BFGS: 7668 16:53:07 -463.582934 2.2139 BFGS: 7669 16:53:07 -463.583026 2.2138 BFGS: 7670 16:53:07 -463.583118 2.2137 BFGS: 7671 16:53:07 -463.583210 2.2136 BFGS: 7672 16:53:07 -463.583303 2.2135 BFGS: 7673 16:53:08 -463.583395 2.2135 BFGS: 7674 16:53:08 -463.583487 2.2134 BFGS: 7675 16:53:08 -463.583579 2.2133 BFGS: 7676 16:53:08 -463.583671 2.2132 BFGS: 7677 16:53:08 -463.583763 2.2131 BFGS: 7678 16:53:08 -463.583855 2.2130 BFGS: 7679 16:53:08 -463.583947 2.2129 BFGS: 7680 16:53:08 -463.584039 2.2129 BFGS: 7681 16:53:08 -463.584131 2.2128 BFGS: 7682 16:53:08 -463.584223 2.2127 BFGS: 7683 16:53:08 -463.584315 2.2126 BFGS: 7684 16:53:08 -463.584407 2.2125 BFGS: 7685 16:53:08 -463.584499 2.2124 BFGS: 7686 16:53:08 -463.584591 2.2123 BFGS: 7687 16:53:08 -463.584683 2.2123 BFGS: 7688 16:53:08 -463.584775 2.2122 BFGS: 7689 16:53:08 -463.584867 2.2121 BFGS: 7690 16:53:08 -463.584959 2.2120 BFGS: 7691 16:53:08 -463.585051 2.2119 BFGS: 7692 16:53:08 -463.585143 2.2118 BFGS: 7693 16:53:08 -463.585235 2.2117 BFGS: 7694 16:53:09 -463.585327 2.2117 BFGS: 7695 16:53:09 -463.585419 2.2116 BFGS: 7696 16:53:09 -463.585511 2.2115 BFGS: 7697 16:53:09 -463.585603 2.2114 BFGS: 7698 16:53:09 -463.585695 2.2113 BFGS: 7699 16:53:09 -463.585787 2.2112 BFGS: 7700 16:53:09 -463.585879 2.2111 BFGS: 7701 16:53:09 -463.585971 2.2111 BFGS: 7702 16:53:09 -463.586063 2.2110 BFGS: 7703 16:53:09 -463.586155 2.2109 BFGS: 7704 16:53:09 -463.586247 2.2108 BFGS: 7705 16:53:09 -463.586339 2.2107 BFGS: 7706 16:53:09 -463.586431 2.2106 BFGS: 7707 16:53:09 -463.586523 2.2105 BFGS: 7708 16:53:09 -463.586615 2.2105 BFGS: 7709 16:53:09 -463.586707 2.2104 BFGS: 7710 16:53:09 -463.586799 2.2103 BFGS: 7711 16:53:09 -463.586891 2.2102 BFGS: 7712 16:53:09 -463.586983 2.2101 BFGS: 7713 16:53:09 -463.587075 2.2100 BFGS: 7714 16:53:09 -463.587167 2.2099 BFGS: 7715 16:53:09 -463.587259 2.2099 BFGS: 7716 16:53:10 -463.587351 2.2098 BFGS: 7717 16:53:10 -463.587442 2.2097 BFGS: 7718 16:53:10 -463.587534 2.2096 BFGS: 7719 16:53:10 -463.587626 2.2095 BFGS: 7720 16:53:10 -463.587718 2.2094 BFGS: 7721 16:53:10 -463.587810 2.2094 BFGS: 7722 16:53:10 -463.587902 2.2093 BFGS: 7723 16:53:10 -463.587994 2.2092 BFGS: 7724 16:53:10 -463.588086 2.2091 BFGS: 7725 16:53:10 -463.588178 2.2090 BFGS: 7726 16:53:10 -463.588270 2.2089 BFGS: 7727 16:53:10 -463.588361 2.2088 BFGS: 7728 16:53:10 -463.588453 2.2087 BFGS: 7729 16:53:10 -463.588545 2.2087 BFGS: 7730 16:53:10 -463.588637 2.2086 BFGS: 7731 16:53:10 -463.588729 2.2085 BFGS: 7732 16:53:10 -463.588821 2.2084 BFGS: 7733 16:53:10 -463.588913 2.2083 BFGS: 7734 16:53:10 -463.589004 2.2082 BFGS: 7735 16:53:10 -463.589096 2.2081 BFGS: 7736 16:53:10 -463.589188 2.2081 BFGS: 7737 16:53:11 -463.589280 2.2080 BFGS: 7738 16:53:11 -463.589372 2.2079 BFGS: 7739 16:53:11 -463.589464 2.2078 BFGS: 7740 16:53:11 -463.589556 2.2077 BFGS: 7741 16:53:11 -463.589647 2.2076 BFGS: 7742 16:53:11 -463.589739 2.2075 BFGS: 7743 16:53:11 -463.589831 2.2075 BFGS: 7744 16:53:11 -463.589923 2.2074 BFGS: 7745 16:53:11 -463.590015 2.2073 BFGS: 7746 16:53:11 -463.590106 2.2072 BFGS: 7747 16:53:11 -463.590198 2.2071 BFGS: 7748 16:53:11 -463.590290 2.2070 BFGS: 7749 16:53:11 -463.590382 2.2069 BFGS: 7750 16:53:11 -463.590474 2.2069 BFGS: 7751 16:53:11 -463.590566 2.2068 BFGS: 7752 16:53:11 -463.590657 2.2067 BFGS: 7753 16:53:11 -463.590749 2.2066 BFGS: 7754 16:53:11 -463.590841 2.2065 BFGS: 7755 16:53:11 -463.590933 2.2064 BFGS: 7756 16:53:11 -463.591024 2.2063 BFGS: 7757 16:53:11 -463.591116 2.2063 BFGS: 7758 16:53:12 -463.591208 2.2062 BFGS: 7759 16:53:12 -463.591300 2.2061 BFGS: 7760 16:53:12 -463.591392 2.2060 BFGS: 7761 16:53:12 -463.591483 2.2059 BFGS: 7762 16:53:12 -463.591575 2.2058 BFGS: 7763 16:53:12 -463.591667 2.2057 BFGS: 7764 16:53:12 -463.591759 2.2057 BFGS: 7765 16:53:12 -463.591850 2.2056 BFGS: 7766 16:53:12 -463.591942 2.2055 BFGS: 7767 16:53:12 -463.592034 2.2054 BFGS: 7768 16:53:12 -463.592125 2.2053 BFGS: 7769 16:53:12 -463.592217 2.2052 BFGS: 7770 16:53:12 -463.592309 2.2051 BFGS: 7771 16:53:12 -463.592401 2.2050 BFGS: 7772 16:53:12 -463.592492 2.2050 BFGS: 7773 16:53:12 -463.592584 2.2049 BFGS: 7774 16:53:12 -463.592676 2.2048 BFGS: 7775 16:53:12 -463.592768 2.2047 BFGS: 7776 16:53:12 -463.592859 2.2046 BFGS: 7777 16:53:12 -463.592951 2.2045 BFGS: 7778 16:53:12 -463.593043 2.2045 BFGS: 7779 16:53:12 -463.593134 2.2044 BFGS: 7780 16:53:13 -463.593226 2.2043 BFGS: 7781 16:53:13 -463.593318 2.2042 BFGS: 7782 16:53:13 -463.593409 2.2041 BFGS: 7783 16:53:13 -463.593501 2.2040 BFGS: 7784 16:53:13 -463.593593 2.2039 BFGS: 7785 16:53:13 -463.593684 2.2038 BFGS: 7786 16:53:13 -463.593776 2.2038 BFGS: 7787 16:53:13 -463.593868 2.2037 BFGS: 7788 16:53:13 -463.593959 2.2036 BFGS: 7789 16:53:13 -463.594051 2.2035 BFGS: 7790 16:53:13 -463.594143 2.2034 BFGS: 7791 16:53:13 -463.594234 2.2033 BFGS: 7792 16:53:13 -463.594326 2.2032 BFGS: 7793 16:53:13 -463.594418 2.2032 BFGS: 7794 16:53:13 -463.594509 2.2031 BFGS: 7795 16:53:13 -463.594601 2.2030 BFGS: 7796 16:53:13 -463.594693 2.2029 BFGS: 7797 16:53:13 -463.594784 2.2028 BFGS: 7798 16:53:13 -463.594876 2.2027 BFGS: 7799 16:53:13 -463.594967 2.2026 BFGS: 7800 16:53:13 -463.595059 2.2026 BFGS: 7801 16:53:14 -463.595151 2.2025 BFGS: 7802 16:53:14 -463.595242 2.2024 BFGS: 7803 16:53:14 -463.595334 2.2023 BFGS: 7804 16:53:14 -463.595426 2.2022 BFGS: 7805 16:53:14 -463.595517 2.2021 BFGS: 7806 16:53:14 -463.595609 2.2020 BFGS: 7807 16:53:14 -463.595700 2.2020 BFGS: 7808 16:53:14 -463.595792 2.2019 BFGS: 7809 16:53:14 -463.595884 2.2018 BFGS: 7810 16:53:14 -463.595975 2.2017 BFGS: 7811 16:53:14 -463.596067 2.2016 BFGS: 7812 16:53:14 -463.596158 2.2015 BFGS: 7813 16:53:14 -463.596250 2.2014 BFGS: 7814 16:53:14 -463.596341 2.2013 BFGS: 7815 16:53:14 -463.596433 2.2013 BFGS: 7816 16:53:14 -463.596525 2.2012 BFGS: 7817 16:53:14 -463.596616 2.2011 BFGS: 7818 16:53:14 -463.596708 2.2010 BFGS: 7819 16:53:14 -463.596799 2.2009 BFGS: 7820 16:53:14 -463.596891 2.2008 BFGS: 7821 16:53:14 -463.596982 2.2007 BFGS: 7822 16:53:15 -463.597074 2.2007 BFGS: 7823 16:53:15 -463.597165 2.2006 BFGS: 7824 16:53:15 -463.597257 2.2005 BFGS: 7825 16:53:15 -463.597348 2.2004 BFGS: 7826 16:53:15 -463.597440 2.2003 BFGS: 7827 16:53:15 -463.597531 2.2002 BFGS: 7828 16:53:15 -463.597623 2.2001 BFGS: 7829 16:53:15 -463.597715 2.2001 BFGS: 7830 16:53:15 -463.597806 2.2000 BFGS: 7831 16:53:15 -463.597898 2.1999 BFGS: 7832 16:53:15 -463.597989 2.1998 BFGS: 7833 16:53:15 -463.598081 2.1997 BFGS: 7834 16:53:15 -463.598172 2.1996 BFGS: 7835 16:53:15 -463.598264 2.1995 BFGS: 7836 16:53:15 -463.598355 2.1995 BFGS: 7837 16:53:15 -463.598447 2.1994 BFGS: 7838 16:53:15 -463.598538 2.1993 BFGS: 7839 16:53:15 -463.598629 2.1992 BFGS: 7840 16:53:15 -463.598721 2.1991 BFGS: 7841 16:53:15 -463.598812 2.1990 BFGS: 7842 16:53:15 -463.598904 2.1989 BFGS: 7843 16:53:15 -463.598995 2.1988 BFGS: 7844 16:53:16 -463.599087 2.1988 BFGS: 7845 16:53:16 -463.599178 2.1987 BFGS: 7846 16:53:16 -463.599270 2.1986 BFGS: 7847 16:53:16 -463.599361 2.1985 BFGS: 7848 16:53:16 -463.599453 2.1984 BFGS: 7849 16:53:16 -463.599544 2.1983 BFGS: 7850 16:53:16 -463.599636 2.1982 BFGS: 7851 16:53:16 -463.599727 2.1982 BFGS: 7852 16:53:16 -463.599818 2.1981 BFGS: 7853 16:53:16 -463.599910 2.1980 BFGS: 7854 16:53:16 -463.600001 2.1979 BFGS: 7855 16:53:16 -463.600093 2.1978 BFGS: 7856 16:53:16 -463.600184 2.1977 BFGS: 7857 16:53:16 -463.600276 2.1976 BFGS: 7858 16:53:16 -463.600367 2.1976 BFGS: 7859 16:53:16 -463.600458 2.1975 BFGS: 7860 16:53:16 -463.600550 2.1974 BFGS: 7861 16:53:16 -463.600641 2.1973 BFGS: 7862 16:53:16 -463.600733 2.1972 BFGS: 7863 16:53:16 -463.600824 2.1971 BFGS: 7864 16:53:16 -463.600915 2.1970 BFGS: 7865 16:53:17 -463.601007 2.1970 BFGS: 7866 16:53:17 -463.601098 2.1969 BFGS: 7867 16:53:17 -463.601189 2.1968 BFGS: 7868 16:53:17 -463.601281 2.1967 BFGS: 7869 16:53:17 -463.601372 2.1966 BFGS: 7870 16:53:17 -463.601464 2.1965 BFGS: 7871 16:53:17 -463.601555 2.1964 BFGS: 7872 16:53:17 -463.601646 2.1963 BFGS: 7873 16:53:17 -463.601738 2.1963 BFGS: 7874 16:53:17 -463.601829 2.1962 BFGS: 7875 16:53:17 -463.601920 2.1961 BFGS: 7876 16:53:17 -463.602012 2.1960 BFGS: 7877 16:53:17 -463.602103 2.1959 BFGS: 7878 16:53:17 -463.602194 2.1958 BFGS: 7879 16:53:17 -463.602286 2.1957 BFGS: 7880 16:53:17 -463.602377 2.1957 BFGS: 7881 16:53:17 -463.602468 2.1956 BFGS: 7882 16:53:17 -463.602560 2.1955 BFGS: 7883 16:53:17 -463.602651 2.1954 BFGS: 7884 16:53:17 -463.602742 2.1953 BFGS: 7885 16:53:17 -463.602834 2.1952 BFGS: 7886 16:53:18 -463.602925 2.1951 BFGS: 7887 16:53:18 -463.603016 2.1951 BFGS: 7888 16:53:18 -463.603108 2.1950 BFGS: 7889 16:53:18 -463.603199 2.1949 BFGS: 7890 16:53:18 -463.603290 2.1948 BFGS: 7891 16:53:18 -463.603381 2.1947 BFGS: 7892 16:53:18 -463.603473 2.1946 BFGS: 7893 16:53:18 -463.603564 2.1945 BFGS: 7894 16:53:18 -463.603655 2.1944 BFGS: 7895 16:53:18 -463.603747 2.1944 BFGS: 7896 16:53:18 -463.603838 2.1943 BFGS: 7897 16:53:18 -463.603929 2.1942 BFGS: 7898 16:53:18 -463.604020 2.1941 BFGS: 7899 16:53:18 -463.604112 2.1940 BFGS: 7900 16:53:18 -463.604203 2.1939 BFGS: 7901 16:53:18 -463.604294 2.1938 BFGS: 7902 16:53:18 -463.604385 2.1938 BFGS: 7903 16:53:18 -463.604477 2.1937 BFGS: 7904 16:53:18 -463.604568 2.1936 BFGS: 7905 16:53:18 -463.604659 2.1935 BFGS: 7906 16:53:18 -463.604750 2.1934 BFGS: 7907 16:53:18 -463.604842 2.1933 BFGS: 7908 16:53:19 -463.604933 2.1932 BFGS: 7909 16:53:19 -463.605024 2.1932 BFGS: 7910 16:53:19 -463.605115 2.1931 BFGS: 7911 16:53:19 -463.605207 2.1930 BFGS: 7912 16:53:19 -463.605298 2.1929 BFGS: 7913 16:53:19 -463.605389 2.1928 BFGS: 7914 16:53:19 -463.605480 2.1927 BFGS: 7915 16:53:19 -463.605571 2.1926 BFGS: 7916 16:53:19 -463.605663 2.1926 BFGS: 7917 16:53:19 -463.605754 2.1925 BFGS: 7918 16:53:19 -463.605845 2.1924 BFGS: 7919 16:53:19 -463.605936 2.1923 BFGS: 7920 16:53:19 -463.606027 2.1922 BFGS: 7921 16:53:19 -463.606119 2.1921 BFGS: 7922 16:53:19 -463.606210 2.1920 BFGS: 7923 16:53:19 -463.606301 2.1919 BFGS: 7924 16:53:19 -463.606392 2.1919 BFGS: 7925 16:53:19 -463.606483 2.1918 BFGS: 7926 16:53:19 -463.606574 2.1917 BFGS: 7927 16:53:19 -463.606666 2.1916 BFGS: 7928 16:53:19 -463.606757 2.1915 BFGS: 7929 16:53:20 -463.606848 2.1914 BFGS: 7930 16:53:20 -463.606939 2.1913 BFGS: 7931 16:53:20 -463.607030 2.1913 BFGS: 7932 16:53:20 -463.607121 2.1912 BFGS: 7933 16:53:20 -463.607213 2.1911 BFGS: 7934 16:53:20 -463.607304 2.1910 BFGS: 7935 16:53:20 -463.607395 2.1909 BFGS: 7936 16:53:20 -463.607486 2.1908 BFGS: 7937 16:53:20 -463.607577 2.1907 BFGS: 7938 16:53:20 -463.607668 2.1906 BFGS: 7939 16:53:20 -463.607759 2.1906 BFGS: 7940 16:53:20 -463.607850 2.1905 BFGS: 7941 16:53:20 -463.607942 2.1904 BFGS: 7942 16:53:20 -463.608033 2.1903 BFGS: 7943 16:53:20 -463.608124 2.1902 BFGS: 7944 16:53:20 -463.608215 2.1901 BFGS: 7945 16:53:20 -463.608306 2.1900 BFGS: 7946 16:53:20 -463.608397 2.1900 BFGS: 7947 16:53:20 -463.608488 2.1899 BFGS: 7948 16:53:20 -463.608579 2.1898 BFGS: 7949 16:53:20 -463.608670 2.1897 BFGS: 7950 16:53:21 -463.608761 2.1896 BFGS: 7951 16:53:21 -463.608852 2.1895 BFGS: 7952 16:53:21 -463.608944 2.1894 BFGS: 7953 16:53:21 -463.609035 2.1893 BFGS: 7954 16:53:21 -463.609126 2.1893 BFGS: 7955 16:53:21 -463.609217 2.1892 BFGS: 7956 16:53:21 -463.609308 2.1891 BFGS: 7957 16:53:21 -463.609399 2.1890 BFGS: 7958 16:53:21 -463.609490 2.1889 BFGS: 7959 16:53:21 -463.609581 2.1888 BFGS: 7960 16:53:21 -463.609672 2.1887 BFGS: 7961 16:53:21 -463.609763 2.1886 BFGS: 7962 16:53:21 -463.609854 2.1886 BFGS: 7963 16:53:21 -463.609945 2.1885 BFGS: 7964 16:53:21 -463.610036 2.1884 BFGS: 7965 16:53:21 -463.610127 2.1883 BFGS: 7966 16:53:21 -463.610218 2.1882 BFGS: 7967 16:53:21 -463.610309 2.1881 BFGS: 7968 16:53:21 -463.610400 2.1880 BFGS: 7969 16:53:21 -463.610491 2.1880 BFGS: 7970 16:53:21 -463.610582 2.1879 BFGS: 7971 16:53:21 -463.610673 2.1878 BFGS: 7972 16:53:22 -463.610764 2.1877 BFGS: 7973 16:53:22 -463.610855 2.1876 BFGS: 7974 16:53:22 -463.610946 2.1875 BFGS: 7975 16:53:22 -463.611037 2.1874 BFGS: 7976 16:53:22 -463.611128 2.1874 BFGS: 7977 16:53:22 -463.611219 2.1873 BFGS: 7978 16:53:22 -463.611310 2.1872 BFGS: 7979 16:53:22 -463.611401 2.1871 BFGS: 7980 16:53:22 -463.611492 2.1870 BFGS: 7981 16:53:22 -463.611583 2.1869 BFGS: 7982 16:53:22 -463.611674 2.1868 BFGS: 7983 16:53:22 -463.611765 2.1868 BFGS: 7984 16:53:22 -463.611856 2.1867 BFGS: 7985 16:53:22 -463.611947 2.1866 BFGS: 7986 16:53:22 -463.612038 2.1865 BFGS: 7987 16:53:22 -463.612129 2.1864 BFGS: 7988 16:53:22 -463.612220 2.1863 BFGS: 7989 16:53:22 -463.612311 2.1862 BFGS: 7990 16:53:22 -463.612402 2.1862 BFGS: 7991 16:53:22 -463.612493 2.1861 BFGS: 7992 16:53:22 -463.612584 2.1860 BFGS: 7993 16:53:23 -463.612674 2.1859 BFGS: 7994 16:53:23 -463.612765 2.1858 BFGS: 7995 16:53:23 -463.612856 2.1857 BFGS: 7996 16:53:23 -463.612947 2.1856 BFGS: 7997 16:53:23 -463.613038 2.1855 BFGS: 7998 16:53:23 -463.613129 2.1855 BFGS: 7999 16:53:23 -463.613220 2.1854 BFGS: 8000 16:53:23 -463.613311 2.1853 BFGS: 8001 16:53:23 -463.613402 2.1852 BFGS: 8002 16:53:23 -463.613493 2.1851 BFGS: 8003 16:53:23 -463.613583 2.1850 BFGS: 8004 16:53:23 -463.613674 2.1849 BFGS: 8005 16:53:23 -463.613765 2.1849 BFGS: 8006 16:53:23 -463.613856 2.1848 BFGS: 8007 16:53:23 -463.613947 2.1847 BFGS: 8008 16:53:23 -463.614038 2.1846 BFGS: 8009 16:53:23 -463.614129 2.1845 BFGS: 8010 16:53:23 -463.614220 2.1844 BFGS: 8011 16:53:23 -463.614310 2.1843 BFGS: 8012 16:53:23 -463.614401 2.1843 BFGS: 8013 16:53:23 -463.614492 2.1842 BFGS: 8014 16:53:24 -463.614583 2.1841 BFGS: 8015 16:53:24 -463.614674 2.1840 BFGS: 8016 16:53:24 -463.614765 2.1839 BFGS: 8017 16:53:24 -463.614856 2.1838 BFGS: 8018 16:53:24 -463.614946 2.1837 BFGS: 8019 16:53:24 -463.615037 2.1836 BFGS: 8020 16:53:24 -463.615128 2.1836 BFGS: 8021 16:53:24 -463.615219 2.1835 BFGS: 8022 16:53:24 -463.615310 2.1834 BFGS: 8023 16:53:24 -463.615400 2.1833 BFGS: 8024 16:53:24 -463.615491 2.1832 BFGS: 8025 16:53:24 -463.615582 2.1831 BFGS: 8026 16:53:24 -463.615673 2.1830 BFGS: 8027 16:53:24 -463.615764 2.1830 BFGS: 8028 16:53:24 -463.615855 2.1829 BFGS: 8029 16:53:24 -463.615945 2.1828 BFGS: 8030 16:53:24 -463.616036 2.1827 BFGS: 8031 16:53:24 -463.616127 2.1826 BFGS: 8032 16:53:24 -463.616218 2.1825 BFGS: 8033 16:53:24 -463.616308 2.1824 BFGS: 8034 16:53:24 -463.616399 2.1823 BFGS: 8035 16:53:24 -463.616490 2.1823 BFGS: 8036 16:53:25 -463.616581 2.1822 BFGS: 8037 16:53:25 -463.616672 2.1821 BFGS: 8038 16:53:25 -463.616762 2.1820 BFGS: 8039 16:53:25 -463.616853 2.1819 BFGS: 8040 16:53:25 -463.616944 2.1818 BFGS: 8041 16:53:25 -463.617035 2.1817 BFGS: 8042 16:53:25 -463.617125 2.1816 BFGS: 8043 16:53:25 -463.617216 2.1816 BFGS: 8044 16:53:25 -463.617307 2.1815 BFGS: 8045 16:53:25 -463.617398 2.1814 BFGS: 8046 16:53:25 -463.617488 2.1813 BFGS: 8047 16:53:25 -463.617579 2.1812 BFGS: 8048 16:53:25 -463.617670 2.1811 BFGS: 8049 16:53:25 -463.617760 2.1810 BFGS: 8050 16:53:25 -463.617851 2.1810 BFGS: 8051 16:53:25 -463.617942 2.1809 BFGS: 8052 16:53:25 -463.618033 2.1808 BFGS: 8053 16:53:25 -463.618123 2.1807 BFGS: 8054 16:53:25 -463.618214 2.1806 BFGS: 8055 16:53:25 -463.618305 2.1805 BFGS: 8056 16:53:25 -463.618395 2.1804 BFGS: 8057 16:53:26 -463.618486 2.1804 BFGS: 8058 16:53:26 -463.618577 2.1803 BFGS: 8059 16:53:26 -463.618667 2.1802 BFGS: 8060 16:53:26 -463.618758 2.1801 BFGS: 8061 16:53:26 -463.618849 2.1800 BFGS: 8062 16:53:26 -463.618940 2.1799 BFGS: 8063 16:53:26 -463.619030 2.1798 BFGS: 8064 16:53:26 -463.619121 2.1797 BFGS: 8065 16:53:26 -463.619212 2.1797 BFGS: 8066 16:53:26 -463.619302 2.1796 BFGS: 8067 16:53:26 -463.619393 2.1795 BFGS: 8068 16:53:26 -463.619484 2.1794 BFGS: 8069 16:53:26 -463.619574 2.1793 BFGS: 8070 16:53:26 -463.619665 2.1792 BFGS: 8071 16:53:26 -463.619755 2.1791 BFGS: 8072 16:53:26 -463.619846 2.1790 BFGS: 8073 16:53:26 -463.619937 2.1790 BFGS: 8074 16:53:26 -463.620027 2.1789 BFGS: 8075 16:53:26 -463.620118 2.1788 BFGS: 8076 16:53:26 -463.620209 2.1787 BFGS: 8077 16:53:26 -463.620299 2.1786 BFGS: 8078 16:53:26 -463.620390 2.1785 BFGS: 8079 16:53:27 -463.620480 2.1784 BFGS: 8080 16:53:27 -463.620571 2.1783 BFGS: 8081 16:53:27 -463.620662 2.1783 BFGS: 8082 16:53:27 -463.620752 2.1782 BFGS: 8083 16:53:27 -463.620843 2.1781 BFGS: 8084 16:53:27 -463.620933 2.1780 BFGS: 8085 16:53:27 -463.621024 2.1779 BFGS: 8086 16:53:27 -463.621115 2.1778 BFGS: 8087 16:53:27 -463.621205 2.1777 BFGS: 8088 16:53:27 -463.621296 2.1776 BFGS: 8089 16:53:27 -463.621386 2.1776 BFGS: 8090 16:53:27 -463.621477 2.1775 BFGS: 8091 16:53:27 -463.621568 2.1774 BFGS: 8092 16:53:27 -463.621658 2.1773 BFGS: 8093 16:53:27 -463.621749 2.1772 BFGS: 8094 16:53:27 -463.621839 2.1771 BFGS: 8095 16:53:27 -463.621930 2.1770 BFGS: 8096 16:53:27 -463.622020 2.1769 BFGS: 8097 16:53:27 -463.622111 2.1769 BFGS: 8098 16:53:27 -463.622201 2.1768 BFGS: 8099 16:53:27 -463.622292 2.1767 BFGS: 8100 16:53:28 -463.622383 2.1766 BFGS: 8101 16:53:28 -463.622473 2.1765 BFGS: 8102 16:53:28 -463.622564 2.1764 BFGS: 8103 16:53:28 -463.622654 2.1763 BFGS: 8104 16:53:28 -463.622745 2.1762 BFGS: 8105 16:53:28 -463.622835 2.1762 BFGS: 8106 16:53:28 -463.622926 2.1761 BFGS: 8107 16:53:28 -463.623016 2.1760 BFGS: 8108 16:53:28 -463.623107 2.1759 BFGS: 8109 16:53:28 -463.623197 2.1758 BFGS: 8110 16:53:28 -463.623288 2.1757 BFGS: 8111 16:53:28 -463.623378 2.1756 BFGS: 8112 16:53:28 -463.623469 2.1756 BFGS: 8113 16:53:28 -463.623559 2.1755 BFGS: 8114 16:53:28 -463.623650 2.1754 BFGS: 8115 16:53:28 -463.623740 2.1753 BFGS: 8116 16:53:28 -463.623831 2.1752 BFGS: 8117 16:53:28 -463.623921 2.1751 BFGS: 8118 16:53:28 -463.624012 2.1750 BFGS: 8119 16:53:28 -463.624102 2.1749 BFGS: 8120 16:53:28 -463.624193 2.1748 BFGS: 8121 16:53:28 -463.624283 2.1748 BFGS: 8122 16:53:29 -463.624373 2.1747 BFGS: 8123 16:53:29 -463.624464 2.1746 BFGS: 8124 16:53:29 -463.624554 2.1745 BFGS: 8125 16:53:29 -463.624645 2.1744 BFGS: 8126 16:53:29 -463.624735 2.1743 BFGS: 8127 16:53:29 -463.624826 2.1742 BFGS: 8128 16:53:29 -463.624916 2.1742 BFGS: 8129 16:53:29 -463.625007 2.1741 BFGS: 8130 16:53:29 -463.625097 2.1740 BFGS: 8131 16:53:29 -463.625187 2.1739 BFGS: 8132 16:53:29 -463.625278 2.1738 BFGS: 8133 16:53:29 -463.625368 2.1737 BFGS: 8134 16:53:29 -463.625459 2.1736 BFGS: 8135 16:53:29 -463.625549 2.1735 BFGS: 8136 16:53:29 -463.625639 2.1735 BFGS: 8137 16:53:29 -463.625730 2.1734 BFGS: 8138 16:53:29 -463.625820 2.1733 BFGS: 8139 16:53:29 -463.625911 2.1732 BFGS: 8140 16:53:29 -463.626001 2.1731 BFGS: 8141 16:53:29 -463.626091 2.1730 BFGS: 8142 16:53:29 -463.626182 2.1729 BFGS: 8143 16:53:30 -463.626272 2.1728 BFGS: 8144 16:53:30 -463.626363 2.1728 BFGS: 8145 16:53:30 -463.626453 2.1727 BFGS: 8146 16:53:30 -463.626543 2.1726 BFGS: 8147 16:53:30 -463.626634 2.1725 BFGS: 8148 16:53:30 -463.626724 2.1724 BFGS: 8149 16:53:30 -463.626814 2.1723 BFGS: 8150 16:53:30 -463.626905 2.1722 BFGS: 8151 16:53:30 -463.626995 2.1721 BFGS: 8152 16:53:30 -463.627085 2.1721 BFGS: 8153 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2.1698 BFGS: 8179 16:53:31 -463.629524 2.1697 BFGS: 8180 16:53:31 -463.629614 2.1696 BFGS: 8181 16:53:31 -463.629704 2.1695 BFGS: 8182 16:53:31 -463.629794 2.1694 BFGS: 8183 16:53:31 -463.629885 2.1693 BFGS: 8184 16:53:31 -463.629975 2.1693 BFGS: 8185 16:53:31 -463.630065 2.1692 BFGS: 8186 16:53:32 -463.630155 2.1691 BFGS: 8187 16:53:32 -463.630245 2.1690 BFGS: 8188 16:53:32 -463.630336 2.1689 BFGS: 8189 16:53:32 -463.630426 2.1688 BFGS: 8190 16:53:32 -463.630516 2.1687 BFGS: 8191 16:53:32 -463.630606 2.1687 BFGS: 8192 16:53:32 -463.630696 2.1686 BFGS: 8193 16:53:32 -463.630787 2.1685 BFGS: 8194 16:53:32 -463.630877 2.1684 BFGS: 8195 16:53:32 -463.630967 2.1683 BFGS: 8196 16:53:32 -463.631057 2.1682 BFGS: 8197 16:53:32 -463.631147 2.1681 BFGS: 8198 16:53:32 -463.631238 2.1680 BFGS: 8199 16:53:32 -463.631328 2.1679 BFGS: 8200 16:53:32 -463.631418 2.1679 BFGS: 8201 16:53:32 -463.631508 2.1678 BFGS: 8202 16:53:32 -463.631598 2.1677 BFGS: 8203 16:53:32 -463.631689 2.1676 BFGS: 8204 16:53:32 -463.631779 2.1675 BFGS: 8205 16:53:32 -463.631869 2.1674 BFGS: 8206 16:53:32 -463.631959 2.1673 BFGS: 8207 16:53:32 -463.632049 2.1672 BFGS: 8208 16:53:33 -463.632139 2.1672 BFGS: 8209 16:53:33 -463.632229 2.1671 BFGS: 8210 16:53:33 -463.632320 2.1670 BFGS: 8211 16:53:33 -463.632410 2.1669 BFGS: 8212 16:53:33 -463.632500 2.1668 BFGS: 8213 16:53:33 -463.632590 2.1667 BFGS: 8214 16:53:33 -463.632680 2.1666 BFGS: 8215 16:53:33 -463.632770 2.1665 BFGS: 8216 16:53:33 -463.632860 2.1665 BFGS: 8217 16:53:33 -463.632950 2.1664 BFGS: 8218 16:53:33 -463.633041 2.1663 BFGS: 8219 16:53:33 -463.633131 2.1662 BFGS: 8220 16:53:33 -463.633221 2.1661 BFGS: 8221 16:53:33 -463.633311 2.1660 BFGS: 8222 16:53:33 -463.633401 2.1659 BFGS: 8223 16:53:33 -463.633491 2.1658 BFGS: 8224 16:53:33 -463.633581 2.1657 BFGS: 8225 16:53:33 -463.633671 2.1657 BFGS: 8226 16:53:33 -463.633761 2.1656 BFGS: 8227 16:53:33 -463.633851 2.1655 BFGS: 8228 16:53:33 -463.633941 2.1654 BFGS: 8229 16:53:34 -463.634031 2.1653 BFGS: 8230 16:53:34 -463.634122 2.1652 BFGS: 8231 16:53:34 -463.634212 2.1651 BFGS: 8232 16:53:34 -463.634302 2.1650 BFGS: 8233 16:53:34 -463.634392 2.1650 BFGS: 8234 16:53:34 -463.634482 2.1649 BFGS: 8235 16:53:34 -463.634572 2.1648 BFGS: 8236 16:53:34 -463.634662 2.1647 BFGS: 8237 16:53:34 -463.634752 2.1646 BFGS: 8238 16:53:34 -463.634842 2.1645 BFGS: 8239 16:53:34 -463.634932 2.1644 BFGS: 8240 16:53:34 -463.635022 2.1643 BFGS: 8241 16:53:34 -463.635112 2.1642 BFGS: 8242 16:53:34 -463.635202 2.1642 BFGS: 8243 16:53:34 -463.635292 2.1641 BFGS: 8244 16:53:34 -463.635382 2.1640 BFGS: 8245 16:53:34 -463.635472 2.1639 BFGS: 8246 16:53:34 -463.635562 2.1638 BFGS: 8247 16:53:34 -463.635652 2.1637 BFGS: 8248 16:53:34 -463.635742 2.1636 BFGS: 8249 16:53:34 -463.635832 2.1635 BFGS: 8250 16:53:34 -463.635922 2.1635 BFGS: 8251 16:53:35 -463.636012 2.1634 BFGS: 8252 16:53:35 -463.636102 2.1633 BFGS: 8253 16:53:35 -463.636192 2.1632 BFGS: 8254 16:53:35 -463.636282 2.1631 BFGS: 8255 16:53:35 -463.636372 2.1630 BFGS: 8256 16:53:35 -463.636462 2.1629 BFGS: 8257 16:53:35 -463.636552 2.1628 BFGS: 8258 16:53:35 -463.636642 2.1628 BFGS: 8259 16:53:35 -463.636732 2.1627 BFGS: 8260 16:53:35 -463.636822 2.1626 BFGS: 8261 16:53:35 -463.636912 2.1625 BFGS: 8262 16:53:35 -463.637002 2.1624 BFGS: 8263 16:53:35 -463.637092 2.1623 BFGS: 8264 16:53:35 -463.637182 2.1622 BFGS: 8265 16:53:35 -463.637272 2.1621 BFGS: 8266 16:53:35 -463.637362 2.1620 BFGS: 8267 16:53:35 -463.637451 2.1620 BFGS: 8268 16:53:35 -463.637541 2.1619 BFGS: 8269 16:53:35 -463.637631 2.1618 BFGS: 8270 16:53:35 -463.637721 2.1617 BFGS: 8271 16:53:35 -463.637811 2.1616 BFGS: 8272 16:53:36 -463.637901 2.1615 BFGS: 8273 16:53:36 -463.637991 2.1614 BFGS: 8274 16:53:36 -463.638081 2.1614 BFGS: 8275 16:53:36 -463.638171 2.1613 BFGS: 8276 16:53:36 -463.638261 2.1612 BFGS: 8277 16:53:36 -463.638351 2.1611 BFGS: 8278 16:53:36 -463.638440 2.1610 BFGS: 8279 16:53:36 -463.638530 2.1609 BFGS: 8280 16:53:36 -463.638620 2.1608 BFGS: 8281 16:53:36 -463.638710 2.1607 BFGS: 8282 16:53:36 -463.638800 2.1606 BFGS: 8283 16:53:36 -463.638890 2.1606 BFGS: 8284 16:53:36 -463.638980 2.1605 BFGS: 8285 16:53:36 -463.639070 2.1604 BFGS: 8286 16:53:36 -463.639159 2.1603 BFGS: 8287 16:53:36 -463.639249 2.1602 BFGS: 8288 16:53:36 -463.639339 2.1601 BFGS: 8289 16:53:36 -463.639429 2.1600 BFGS: 8290 16:53:36 -463.639519 2.1599 BFGS: 8291 16:53:36 -463.639609 2.1599 BFGS: 8292 16:53:36 -463.639699 2.1598 BFGS: 8293 16:53:36 -463.639788 2.1597 BFGS: 8294 16:53:37 -463.639878 2.1596 BFGS: 8295 16:53:37 -463.639968 2.1595 BFGS: 8296 16:53:37 -463.640058 2.1594 BFGS: 8297 16:53:37 -463.640148 2.1593 BFGS: 8298 16:53:37 -463.640238 2.1592 BFGS: 8299 16:53:37 -463.640327 2.1592 BFGS: 8300 16:53:37 -463.640417 2.1591 BFGS: 8301 16:53:37 -463.640507 2.1590 BFGS: 8302 16:53:37 -463.640597 2.1589 BFGS: 8303 16:53:37 -463.640687 2.1588 BFGS: 8304 16:53:37 -463.640776 2.1587 BFGS: 8305 16:53:37 -463.640866 2.1586 BFGS: 8306 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2.1563 BFGS: 8332 16:53:38 -463.643289 2.1563 BFGS: 8333 16:53:38 -463.643379 2.1562 BFGS: 8334 16:53:38 -463.643469 2.1561 BFGS: 8335 16:53:38 -463.643558 2.1560 BFGS: 8336 16:53:38 -463.643648 2.1559 BFGS: 8337 16:53:39 -463.643738 2.1558 BFGS: 8338 16:53:39 -463.643827 2.1557 BFGS: 8339 16:53:39 -463.643917 2.1556 BFGS: 8340 16:53:39 -463.644007 2.1556 BFGS: 8341 16:53:39 -463.644096 2.1555 BFGS: 8342 16:53:39 -463.644186 2.1554 BFGS: 8343 16:53:39 -463.644276 2.1553 BFGS: 8344 16:53:39 -463.644365 2.1552 BFGS: 8345 16:53:39 -463.644455 2.1551 BFGS: 8346 16:53:39 -463.644545 2.1550 BFGS: 8347 16:53:39 -463.644634 2.1549 BFGS: 8348 16:53:39 -463.644724 2.1548 BFGS: 8349 16:53:39 -463.644813 2.1548 BFGS: 8350 16:53:39 -463.644903 2.1547 BFGS: 8351 16:53:39 -463.644993 2.1546 BFGS: 8352 16:53:39 -463.645082 2.1545 BFGS: 8353 16:53:39 -463.645172 2.1544 BFGS: 8354 16:53:39 -463.645262 2.1543 BFGS: 8355 16:53:39 -463.645351 2.1542 BFGS: 8356 16:53:39 -463.645441 2.1541 BFGS: 8357 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2.1519 BFGS: 8383 16:53:41 -463.647859 2.1518 BFGS: 8384 16:53:41 -463.647948 2.1517 BFGS: 8385 16:53:41 -463.648038 2.1516 BFGS: 8386 16:53:41 -463.648127 2.1515 BFGS: 8387 16:53:41 -463.648217 2.1514 BFGS: 8388 16:53:41 -463.648306 2.1513 BFGS: 8389 16:53:41 -463.648396 2.1513 BFGS: 8390 16:53:41 -463.648485 2.1512 BFGS: 8391 16:53:41 -463.648575 2.1511 BFGS: 8392 16:53:41 -463.648664 2.1510 BFGS: 8393 16:53:41 -463.648754 2.1509 BFGS: 8394 16:53:41 -463.648843 2.1508 BFGS: 8395 16:53:41 -463.648933 2.1507 BFGS: 8396 16:53:41 -463.649022 2.1506 BFGS: 8397 16:53:41 -463.649112 2.1505 BFGS: 8398 16:53:41 -463.649201 2.1505 BFGS: 8399 16:53:41 -463.649290 2.1504 BFGS: 8400 16:53:41 -463.649380 2.1503 BFGS: 8401 16:53:42 -463.649469 2.1502 BFGS: 8402 16:53:42 -463.649559 2.1501 BFGS: 8403 16:53:42 -463.649648 2.1500 BFGS: 8404 16:53:42 -463.649738 2.1499 BFGS: 8405 16:53:42 -463.649827 2.1498 BFGS: 8406 16:53:42 -463.649917 2.1498 BFGS: 8407 16:53:42 -463.650006 2.1497 BFGS: 8408 16:53:42 -463.650095 2.1496 BFGS: 8409 16:53:42 -463.650185 2.1495 BFGS: 8410 16:53:42 -463.650274 2.1494 BFGS: 8411 16:53:42 -463.650364 2.1493 BFGS: 8412 16:53:42 -463.650453 2.1492 BFGS: 8413 16:53:42 -463.650542 2.1491 BFGS: 8414 16:53:42 -463.650632 2.1491 BFGS: 8415 16:53:42 -463.650721 2.1490 BFGS: 8416 16:53:42 -463.650811 2.1489 BFGS: 8417 16:53:42 -463.650900 2.1488 BFGS: 8418 16:53:42 -463.650989 2.1487 BFGS: 8419 16:53:42 -463.651079 2.1486 BFGS: 8420 16:53:42 -463.651168 2.1485 BFGS: 8421 16:53:42 -463.651257 2.1484 BFGS: 8422 16:53:43 -463.651347 2.1484 BFGS: 8423 16:53:43 -463.651436 2.1483 BFGS: 8424 16:53:43 -463.651526 2.1482 BFGS: 8425 16:53:43 -463.651615 2.1481 BFGS: 8426 16:53:43 -463.651704 2.1480 BFGS: 8427 16:53:43 -463.651794 2.1479 BFGS: 8428 16:53:43 -463.651883 2.1478 BFGS: 8429 16:53:43 -463.651972 2.1477 BFGS: 8430 16:53:43 -463.652062 2.1476 BFGS: 8431 16:53:43 -463.652151 2.1476 BFGS: 8432 16:53:43 -463.652240 2.1475 BFGS: 8433 16:53:43 -463.652330 2.1474 BFGS: 8434 16:53:43 -463.652419 2.1473 BFGS: 8435 16:53:43 -463.652508 2.1472 BFGS: 8436 16:53:43 -463.652598 2.1471 BFGS: 8437 16:53:43 -463.652687 2.1470 BFGS: 8438 16:53:43 -463.652776 2.1469 BFGS: 8439 16:53:43 -463.652865 2.1469 BFGS: 8440 16:53:43 -463.652955 2.1468 BFGS: 8441 16:53:43 -463.653044 2.1467 BFGS: 8442 16:53:43 -463.653133 2.1466 BFGS: 8443 16:53:43 -463.653223 2.1465 BFGS: 8444 16:53:44 -463.653312 2.1464 BFGS: 8445 16:53:44 -463.653401 2.1463 BFGS: 8446 16:53:44 -463.653491 2.1462 BFGS: 8447 16:53:44 -463.653580 2.1461 BFGS: 8448 16:53:44 -463.653669 2.1461 BFGS: 8449 16:53:44 -463.653758 2.1460 BFGS: 8450 16:53:44 -463.653848 2.1459 BFGS: 8451 16:53:44 -463.653937 2.1458 BFGS: 8452 16:53:44 -463.654026 2.1457 BFGS: 8453 16:53:44 -463.654115 2.1456 BFGS: 8454 16:53:44 -463.654205 2.1455 BFGS: 8455 16:53:44 -463.654294 2.1454 BFGS: 8456 16:53:44 -463.654383 2.1454 BFGS: 8457 16:53:44 -463.654472 2.1453 BFGS: 8458 16:53:44 -463.654562 2.1452 BFGS: 8459 16:53:44 -463.654651 2.1451 BFGS: 8460 16:53:44 -463.654740 2.1450 BFGS: 8461 16:53:44 -463.654829 2.1449 BFGS: 8462 16:53:44 -463.654918 2.1448 BFGS: 8463 16:53:44 -463.655008 2.1447 BFGS: 8464 16:53:44 -463.655097 2.1446 BFGS: 8465 16:53:45 -463.655186 2.1446 BFGS: 8466 16:53:45 -463.655275 2.1445 BFGS: 8467 16:53:45 -463.655365 2.1444 BFGS: 8468 16:53:45 -463.655454 2.1443 BFGS: 8469 16:53:45 -463.655543 2.1442 BFGS: 8470 16:53:45 -463.655632 2.1441 BFGS: 8471 16:53:45 -463.655721 2.1440 BFGS: 8472 16:53:45 -463.655810 2.1439 BFGS: 8473 16:53:45 -463.655900 2.1439 BFGS: 8474 16:53:45 -463.655989 2.1438 BFGS: 8475 16:53:45 -463.656078 2.1437 BFGS: 8476 16:53:45 -463.656167 2.1436 BFGS: 8477 16:53:45 -463.656256 2.1435 BFGS: 8478 16:53:45 -463.656346 2.1434 BFGS: 8479 16:53:45 -463.656435 2.1433 BFGS: 8480 16:53:45 -463.656524 2.1433 BFGS: 8481 16:53:45 -463.656613 2.1432 BFGS: 8482 16:53:45 -463.656702 2.1431 BFGS: 8483 16:53:45 -463.656791 2.1430 BFGS: 8484 16:53:45 -463.656880 2.1429 BFGS: 8485 16:53:45 -463.656970 2.1428 BFGS: 8486 16:53:45 -463.657059 2.1427 BFGS: 8487 16:53:46 -463.657148 2.1426 BFGS: 8488 16:53:46 -463.657237 2.1425 BFGS: 8489 16:53:46 -463.657326 2.1425 BFGS: 8490 16:53:46 -463.657415 2.1424 BFGS: 8491 16:53:46 -463.657504 2.1423 BFGS: 8492 16:53:46 -463.657593 2.1422 BFGS: 8493 16:53:46 -463.657682 2.1421 BFGS: 8494 16:53:46 -463.657772 2.1420 BFGS: 8495 16:53:46 -463.657861 2.1419 BFGS: 8496 16:53:46 -463.657950 2.1418 BFGS: 8497 16:53:46 -463.658039 2.1417 BFGS: 8498 16:53:46 -463.658128 2.1417 BFGS: 8499 16:53:46 -463.658217 2.1416 BFGS: 8500 16:53:46 -463.658306 2.1415 BFGS: 8501 16:53:46 -463.658395 2.1414 BFGS: 8502 16:53:46 -463.658484 2.1413 BFGS: 8503 16:53:46 -463.658573 2.1412 BFGS: 8504 16:53:46 -463.658662 2.1411 BFGS: 8505 16:53:46 -463.658751 2.1410 BFGS: 8506 16:53:46 -463.658841 2.1410 BFGS: 8507 16:53:46 -463.658930 2.1409 BFGS: 8508 16:53:47 -463.659019 2.1408 BFGS: 8509 16:53:47 -463.659108 2.1407 BFGS: 8510 16:53:47 -463.659197 2.1406 BFGS: 8511 16:53:47 -463.659286 2.1405 BFGS: 8512 16:53:47 -463.659375 2.1404 BFGS: 8513 16:53:47 -463.659464 2.1403 BFGS: 8514 16:53:47 -463.659553 2.1402 BFGS: 8515 16:53:47 -463.659642 2.1402 BFGS: 8516 16:53:47 -463.659731 2.1401 BFGS: 8517 16:53:47 -463.659820 2.1400 BFGS: 8518 16:53:47 -463.659909 2.1399 BFGS: 8519 16:53:47 -463.659998 2.1398 BFGS: 8520 16:53:47 -463.660087 2.1397 BFGS: 8521 16:53:47 -463.660176 2.1396 BFGS: 8522 16:53:47 -463.660265 2.1395 BFGS: 8523 16:53:47 -463.660354 2.1394 BFGS: 8524 16:53:47 -463.660443 2.1394 BFGS: 8525 16:53:47 -463.660532 2.1393 BFGS: 8526 16:53:47 -463.660621 2.1392 BFGS: 8527 16:53:47 -463.660710 2.1391 BFGS: 8528 16:53:47 -463.660799 2.1390 BFGS: 8529 16:53:47 -463.660888 2.1389 BFGS: 8530 16:53:48 -463.660977 2.1388 BFGS: 8531 16:53:48 -463.661066 2.1387 BFGS: 8532 16:53:48 -463.661155 2.1387 BFGS: 8533 16:53:48 -463.661244 2.1386 BFGS: 8534 16:53:48 -463.661333 2.1385 BFGS: 8535 16:53:48 -463.661422 2.1384 BFGS: 8536 16:53:48 -463.661511 2.1383 BFGS: 8537 16:53:48 -463.661600 2.1382 BFGS: 8538 16:53:48 -463.661689 2.1381 BFGS: 8539 16:53:48 -463.661777 2.1380 BFGS: 8540 16:53:48 -463.661866 2.1380 BFGS: 8541 16:53:48 -463.661955 2.1379 BFGS: 8542 16:53:48 -463.662044 2.1378 BFGS: 8543 16:53:48 -463.662133 2.1377 BFGS: 8544 16:53:48 -463.662222 2.1376 BFGS: 8545 16:53:48 -463.662311 2.1375 BFGS: 8546 16:53:48 -463.662400 2.1374 BFGS: 8547 16:53:48 -463.662489 2.1373 BFGS: 8548 16:53:48 -463.662578 2.1372 BFGS: 8549 16:53:48 -463.662667 2.1372 BFGS: 8550 16:53:48 -463.662756 2.1371 BFGS: 8551 16:53:49 -463.662844 2.1370 BFGS: 8552 16:53:49 -463.662933 2.1369 BFGS: 8553 16:53:49 -463.663022 2.1368 BFGS: 8554 16:53:49 -463.663111 2.1367 BFGS: 8555 16:53:49 -463.663200 2.1366 BFGS: 8556 16:53:49 -463.663289 2.1365 BFGS: 8557 16:53:49 -463.663378 2.1365 BFGS: 8558 16:53:49 -463.663467 2.1364 BFGS: 8559 16:53:49 -463.663555 2.1363 BFGS: 8560 16:53:49 -463.663644 2.1362 BFGS: 8561 16:53:49 -463.663733 2.1361 BFGS: 8562 16:53:49 -463.663822 2.1360 BFGS: 8563 16:53:49 -463.663911 2.1359 BFGS: 8564 16:53:49 -463.664000 2.1358 BFGS: 8565 16:53:49 -463.664089 2.1357 BFGS: 8566 16:53:49 -463.664177 2.1357 BFGS: 8567 16:53:49 -463.664266 2.1356 BFGS: 8568 16:53:49 -463.664355 2.1355 BFGS: 8569 16:53:49 -463.664444 2.1354 BFGS: 8570 16:53:49 -463.664533 2.1353 BFGS: 8571 16:53:49 -463.664622 2.1352 BFGS: 8572 16:53:50 -463.664710 2.1351 BFGS: 8573 16:53:50 -463.664799 2.1350 BFGS: 8574 16:53:50 -463.664888 2.1350 BFGS: 8575 16:53:50 -463.664977 2.1349 BFGS: 8576 16:53:50 -463.665066 2.1348 BFGS: 8577 16:53:50 -463.665154 2.1347 BFGS: 8578 16:53:50 -463.665243 2.1346 BFGS: 8579 16:53:50 -463.665332 2.1345 BFGS: 8580 16:53:50 -463.665421 2.1344 BFGS: 8581 16:53:50 -463.665510 2.1343 BFGS: 8582 16:53:50 -463.665598 2.1342 BFGS: 8583 16:53:50 -463.665687 2.1342 BFGS: 8584 16:53:50 -463.665776 2.1341 BFGS: 8585 16:53:50 -463.665865 2.1340 BFGS: 8586 16:53:50 -463.665953 2.1339 BFGS: 8587 16:53:50 -463.666042 2.1338 BFGS: 8588 16:53:50 -463.666131 2.1337 BFGS: 8589 16:53:50 -463.666220 2.1336 BFGS: 8590 16:53:50 -463.666308 2.1335 BFGS: 8591 16:53:50 -463.666397 2.1335 BFGS: 8592 16:53:50 -463.666486 2.1334 BFGS: 8593 16:53:50 -463.666575 2.1333 BFGS: 8594 16:53:51 -463.666663 2.1332 BFGS: 8595 16:53:51 -463.666752 2.1331 BFGS: 8596 16:53:51 -463.666841 2.1330 BFGS: 8597 16:53:51 -463.666930 2.1329 BFGS: 8598 16:53:51 -463.667018 2.1328 BFGS: 8599 16:53:51 -463.667107 2.1327 BFGS: 8600 16:53:51 -463.667196 2.1327 BFGS: 8601 16:53:51 -463.667284 2.1326 BFGS: 8602 16:53:51 -463.667373 2.1325 BFGS: 8603 16:53:51 -463.667462 2.1324 BFGS: 8604 16:53:51 -463.667551 2.1323 BFGS: 8605 16:53:51 -463.667639 2.1322 BFGS: 8606 16:53:51 -463.667728 2.1321 BFGS: 8607 16:53:51 -463.667817 2.1320 BFGS: 8608 16:53:51 -463.667905 2.1319 BFGS: 8609 16:53:51 -463.667994 2.1319 BFGS: 8610 16:53:51 -463.668083 2.1318 BFGS: 8611 16:53:51 -463.668171 2.1317 BFGS: 8612 16:53:51 -463.668260 2.1316 BFGS: 8613 16:53:51 -463.668349 2.1315 BFGS: 8614 16:53:51 -463.668437 2.1314 BFGS: 8615 16:53:52 -463.668526 2.1313 BFGS: 8616 16:53:52 -463.668615 2.1312 BFGS: 8617 16:53:52 -463.668703 2.1311 BFGS: 8618 16:53:52 -463.668792 2.1311 BFGS: 8619 16:53:52 -463.668881 2.1310 BFGS: 8620 16:53:52 -463.668969 2.1309 BFGS: 8621 16:53:52 -463.669058 2.1308 BFGS: 8622 16:53:52 -463.669147 2.1307 BFGS: 8623 16:53:52 -463.669235 2.1306 BFGS: 8624 16:53:52 -463.669324 2.1305 BFGS: 8625 16:53:52 -463.669412 2.1304 BFGS: 8626 16:53:52 -463.669501 2.1304 BFGS: 8627 16:53:52 -463.669590 2.1303 BFGS: 8628 16:53:52 -463.669678 2.1302 BFGS: 8629 16:53:52 -463.669767 2.1301 BFGS: 8630 16:53:52 -463.669855 2.1300 BFGS: 8631 16:53:52 -463.669944 2.1299 BFGS: 8632 16:53:52 -463.670033 2.1298 BFGS: 8633 16:53:52 -463.670121 2.1297 BFGS: 8634 16:53:52 -463.670210 2.1296 BFGS: 8635 16:53:52 -463.670298 2.1295 BFGS: 8636 16:53:52 -463.670387 2.1295 BFGS: 8637 16:53:53 -463.670476 2.1294 BFGS: 8638 16:53:53 -463.670564 2.1293 BFGS: 8639 16:53:53 -463.670653 2.1292 BFGS: 8640 16:53:53 -463.670741 2.1291 BFGS: 8641 16:53:53 -463.670830 2.1290 BFGS: 8642 16:53:53 -463.670918 2.1289 BFGS: 8643 16:53:53 -463.671007 2.1288 BFGS: 8644 16:53:53 -463.671096 2.1288 BFGS: 8645 16:53:53 -463.671184 2.1287 BFGS: 8646 16:53:53 -463.671273 2.1286 BFGS: 8647 16:53:53 -463.671361 2.1285 BFGS: 8648 16:53:53 -463.671450 2.1284 BFGS: 8649 16:53:53 -463.671538 2.1283 BFGS: 8650 16:53:53 -463.671627 2.1282 BFGS: 8651 16:53:53 -463.671715 2.1281 BFGS: 8652 16:53:53 -463.671804 2.1280 BFGS: 8653 16:53:53 -463.671892 2.1279 BFGS: 8654 16:53:53 -463.671981 2.1279 BFGS: 8655 16:53:53 -463.672069 2.1278 BFGS: 8656 16:53:53 -463.672158 2.1277 BFGS: 8657 16:53:53 -463.672246 2.1276 BFGS: 8658 16:53:54 -463.672335 2.1275 BFGS: 8659 16:53:54 -463.672423 2.1274 BFGS: 8660 16:53:54 -463.672512 2.1273 BFGS: 8661 16:53:54 -463.672600 2.1272 BFGS: 8662 16:53:54 -463.672689 2.1271 BFGS: 8663 16:53:54 -463.672777 2.1271 BFGS: 8664 16:53:54 -463.672866 2.1270 BFGS: 8665 16:53:54 -463.672954 2.1269 BFGS: 8666 16:53:54 -463.673043 2.1268 BFGS: 8667 16:53:54 -463.673131 2.1267 BFGS: 8668 16:53:54 -463.673220 2.1266 BFGS: 8669 16:53:54 -463.673308 2.1265 BFGS: 8670 16:53:54 -463.673397 2.1264 BFGS: 8671 16:53:54 -463.673485 2.1264 BFGS: 8672 16:53:54 -463.673574 2.1263 BFGS: 8673 16:53:54 -463.673662 2.1262 BFGS: 8674 16:53:54 -463.673750 2.1261 BFGS: 8675 16:53:54 -463.673839 2.1260 BFGS: 8676 16:53:54 -463.673927 2.1259 BFGS: 8677 16:53:54 -463.674016 2.1258 BFGS: 8678 16:53:54 -463.674104 2.1257 BFGS: 8679 16:53:54 -463.674193 2.1256 BFGS: 8680 16:53:55 -463.674281 2.1256 BFGS: 8681 16:53:55 -463.674369 2.1255 BFGS: 8682 16:53:55 -463.674458 2.1254 BFGS: 8683 16:53:55 -463.674546 2.1253 BFGS: 8684 16:53:55 -463.674635 2.1252 BFGS: 8685 16:53:55 -463.674723 2.1251 BFGS: 8686 16:53:55 -463.674811 2.1250 BFGS: 8687 16:53:55 -463.674900 2.1249 BFGS: 8688 16:53:55 -463.674988 2.1248 BFGS: 8689 16:53:55 -463.675077 2.1248 BFGS: 8690 16:53:55 -463.675165 2.1247 BFGS: 8691 16:53:55 -463.675253 2.1246 BFGS: 8692 16:53:55 -463.675342 2.1245 BFGS: 8693 16:53:55 -463.675430 2.1244 BFGS: 8694 16:53:55 -463.675518 2.1243 BFGS: 8695 16:53:55 -463.675607 2.1242 BFGS: 8696 16:53:55 -463.675695 2.1241 BFGS: 8697 16:53:55 -463.675784 2.1240 BFGS: 8698 16:53:55 -463.675872 2.1240 BFGS: 8699 16:53:55 -463.675960 2.1239 BFGS: 8700 16:53:55 -463.676049 2.1238 BFGS: 8701 16:53:56 -463.676137 2.1237 BFGS: 8702 16:53:56 -463.676225 2.1236 BFGS: 8703 16:53:56 -463.676314 2.1235 BFGS: 8704 16:53:56 -463.676402 2.1234 BFGS: 8705 16:53:56 -463.676490 2.1233 BFGS: 8706 16:53:56 -463.676579 2.1232 BFGS: 8707 16:53:56 -463.676667 2.1232 BFGS: 8708 16:53:56 -463.676755 2.1231 BFGS: 8709 16:53:56 -463.676844 2.1230 BFGS: 8710 16:53:56 -463.676932 2.1229 BFGS: 8711 16:53:56 -463.677020 2.1228 BFGS: 8712 16:53:56 -463.677108 2.1227 BFGS: 8713 16:53:56 -463.677197 2.1226 BFGS: 8714 16:53:56 -463.677285 2.1225 BFGS: 8715 16:53:56 -463.677373 2.1224 BFGS: 8716 16:53:56 -463.677462 2.1224 BFGS: 8717 16:53:56 -463.677550 2.1223 BFGS: 8718 16:53:56 -463.677638 2.1222 BFGS: 8719 16:53:56 -463.677727 2.1221 BFGS: 8720 16:53:56 -463.677815 2.1220 BFGS: 8721 16:53:56 -463.677903 2.1219 BFGS: 8722 16:53:57 -463.677991 2.1218 BFGS: 8723 16:53:57 -463.678080 2.1217 BFGS: 8724 16:53:57 -463.678168 2.1216 BFGS: 8725 16:53:57 -463.678256 2.1216 BFGS: 8726 16:53:57 -463.678344 2.1215 BFGS: 8727 16:53:57 -463.678433 2.1214 BFGS: 8728 16:53:57 -463.678521 2.1213 BFGS: 8729 16:53:57 -463.678609 2.1212 BFGS: 8730 16:53:57 -463.678697 2.1211 BFGS: 8731 16:53:57 -463.678786 2.1210 BFGS: 8732 16:53:57 -463.678874 2.1209 BFGS: 8733 16:53:57 -463.678962 2.1208 BFGS: 8734 16:53:57 -463.679050 2.1208 BFGS: 8735 16:53:57 -463.679138 2.1207 BFGS: 8736 16:53:57 -463.679227 2.1206 BFGS: 8737 16:53:57 -463.679315 2.1205 BFGS: 8738 16:53:57 -463.679403 2.1204 BFGS: 8739 16:53:57 -463.679491 2.1203 BFGS: 8740 16:53:57 -463.679579 2.1202 BFGS: 8741 16:53:57 -463.679668 2.1201 BFGS: 8742 16:53:57 -463.679756 2.1200 BFGS: 8743 16:53:57 -463.679844 2.1200 BFGS: 8744 16:53:58 -463.679932 2.1199 BFGS: 8745 16:53:58 -463.680020 2.1198 BFGS: 8746 16:53:58 -463.680109 2.1197 BFGS: 8747 16:53:58 -463.680197 2.1196 BFGS: 8748 16:53:58 -463.680285 2.1195 BFGS: 8749 16:53:58 -463.680373 2.1194 BFGS: 8750 16:53:58 -463.680461 2.1193 BFGS: 8751 16:53:58 -463.680549 2.1192 BFGS: 8752 16:53:58 -463.680638 2.1192 BFGS: 8753 16:53:58 -463.680726 2.1191 BFGS: 8754 16:53:58 -463.680814 2.1190 BFGS: 8755 16:53:58 -463.680902 2.1189 BFGS: 8756 16:53:58 -463.680990 2.1188 BFGS: 8757 16:53:58 -463.681078 2.1187 BFGS: 8758 16:53:58 -463.681166 2.1186 BFGS: 8759 16:53:58 -463.681255 2.1185 BFGS: 8760 16:53:58 -463.681343 2.1184 BFGS: 8761 16:53:58 -463.681431 2.1184 BFGS: 8762 16:53:58 -463.681519 2.1183 BFGS: 8763 16:53:58 -463.681607 2.1182 BFGS: 8764 16:53:58 -463.681695 2.1181 BFGS: 8765 16:53:59 -463.681783 2.1180 BFGS: 8766 16:53:59 -463.681871 2.1179 BFGS: 8767 16:53:59 -463.681959 2.1178 BFGS: 8768 16:53:59 -463.682048 2.1177 BFGS: 8769 16:53:59 -463.682136 2.1176 BFGS: 8770 16:53:59 -463.682224 2.1176 BFGS: 8771 16:53:59 -463.682312 2.1175 BFGS: 8772 16:53:59 -463.682400 2.1174 BFGS: 8773 16:53:59 -463.682488 2.1173 BFGS: 8774 16:53:59 -463.682576 2.1172 BFGS: 8775 16:53:59 -463.682664 2.1171 BFGS: 8776 16:53:59 -463.682752 2.1170 BFGS: 8777 16:53:59 -463.682840 2.1169 BFGS: 8778 16:53:59 -463.682928 2.1168 BFGS: 8779 16:53:59 -463.683016 2.1168 BFGS: 8780 16:53:59 -463.683104 2.1167 BFGS: 8781 16:53:59 -463.683192 2.1166 BFGS: 8782 16:53:59 -463.683281 2.1165 BFGS: 8783 16:53:59 -463.683369 2.1164 BFGS: 8784 16:53:59 -463.683457 2.1163 BFGS: 8785 16:53:59 -463.683545 2.1162 BFGS: 8786 16:54:00 -463.683633 2.1161 BFGS: 8787 16:54:00 -463.683721 2.1160 BFGS: 8788 16:54:00 -463.683809 2.1160 BFGS: 8789 16:54:00 -463.683897 2.1159 BFGS: 8790 16:54:00 -463.683985 2.1158 BFGS: 8791 16:54:00 -463.684073 2.1157 BFGS: 8792 16:54:00 -463.684161 2.1156 BFGS: 8793 16:54:00 -463.684249 2.1155 BFGS: 8794 16:54:00 -463.684337 2.1154 BFGS: 8795 16:54:00 -463.684425 2.1153 BFGS: 8796 16:54:00 -463.684513 2.1152 BFGS: 8797 16:54:00 -463.684601 2.1152 BFGS: 8798 16:54:00 -463.684689 2.1151 BFGS: 8799 16:54:00 -463.684777 2.1150 BFGS: 8800 16:54:00 -463.684865 2.1149 BFGS: 8801 16:54:00 -463.684953 2.1148 BFGS: 8802 16:54:00 -463.685041 2.1147 BFGS: 8803 16:54:00 -463.685129 2.1146 BFGS: 8804 16:54:00 -463.685217 2.1145 BFGS: 8805 16:54:00 -463.685305 2.1144 BFGS: 8806 16:54:00 -463.685392 2.1144 BFGS: 8807 16:54:00 -463.685480 2.1143 BFGS: 8808 16:54:01 -463.685568 2.1142 BFGS: 8809 16:54:01 -463.685656 2.1141 BFGS: 8810 16:54:01 -463.685744 2.1140 BFGS: 8811 16:54:01 -463.685832 2.1139 BFGS: 8812 16:54:01 -463.685920 2.1138 BFGS: 8813 16:54:01 -463.686008 2.1137 BFGS: 8814 16:54:01 -463.686096 2.1136 BFGS: 8815 16:54:01 -463.686184 2.1136 BFGS: 8816 16:54:01 -463.686272 2.1135 BFGS: 8817 16:54:01 -463.686360 2.1134 BFGS: 8818 16:54:01 -463.686448 2.1133 BFGS: 8819 16:54:01 -463.686536 2.1132 BFGS: 8820 16:54:01 -463.686623 2.1131 BFGS: 8821 16:54:01 -463.686711 2.1130 BFGS: 8822 16:54:01 -463.686799 2.1129 BFGS: 8823 16:54:01 -463.686887 2.1128 BFGS: 8824 16:54:01 -463.686975 2.1127 BFGS: 8825 16:54:01 -463.687063 2.1127 BFGS: 8826 16:54:01 -463.687151 2.1126 BFGS: 8827 16:54:01 -463.687239 2.1125 BFGS: 8828 16:54:01 -463.687327 2.1124 BFGS: 8829 16:54:02 -463.687414 2.1123 BFGS: 8830 16:54:02 -463.687502 2.1122 BFGS: 8831 16:54:02 -463.687590 2.1121 BFGS: 8832 16:54:02 -463.687678 2.1120 BFGS: 8833 16:54:02 -463.687766 2.1120 BFGS: 8834 16:54:02 -463.687854 2.1119 BFGS: 8835 16:54:02 -463.687942 2.1118 BFGS: 8836 16:54:02 -463.688029 2.1117 BFGS: 8837 16:54:02 -463.688117 2.1116 BFGS: 8838 16:54:02 -463.688205 2.1115 BFGS: 8839 16:54:02 -463.688293 2.1114 BFGS: 8840 16:54:02 -463.688381 2.1113 BFGS: 8841 16:54:02 -463.688469 2.1112 BFGS: 8842 16:54:02 -463.688556 2.1112 BFGS: 8843 16:54:02 -463.688644 2.1111 BFGS: 8844 16:54:02 -463.688732 2.1110 BFGS: 8845 16:54:02 -463.688820 2.1109 BFGS: 8846 16:54:02 -463.688908 2.1108 BFGS: 8847 16:54:02 -463.688995 2.1107 BFGS: 8848 16:54:02 -463.689083 2.1106 BFGS: 8849 16:54:02 -463.689171 2.1105 BFGS: 8850 16:54:03 -463.689259 2.1104 BFGS: 8851 16:54:03 -463.689347 2.1104 BFGS: 8852 16:54:03 -463.689434 2.1103 BFGS: 8853 16:54:03 -463.689522 2.1102 BFGS: 8854 16:54:03 -463.689610 2.1101 BFGS: 8855 16:54:03 -463.689698 2.1100 BFGS: 8856 16:54:03 -463.689786 2.1099 BFGS: 8857 16:54:03 -463.689873 2.1098 BFGS: 8858 16:54:03 -463.689961 2.1097 BFGS: 8859 16:54:03 -463.690049 2.1096 BFGS: 8860 16:54:03 -463.690137 2.1096 BFGS: 8861 16:54:03 -463.690224 2.1095 BFGS: 8862 16:54:03 -463.690312 2.1094 BFGS: 8863 16:54:03 -463.690400 2.1093 BFGS: 8864 16:54:03 -463.690488 2.1092 BFGS: 8865 16:54:03 -463.690575 2.1091 BFGS: 8866 16:54:03 -463.690663 2.1090 BFGS: 8867 16:54:03 -463.690751 2.1089 BFGS: 8868 16:54:03 -463.690839 2.1088 BFGS: 8869 16:54:03 -463.690926 2.1088 BFGS: 8870 16:54:03 -463.691014 2.1087 BFGS: 8871 16:54:04 -463.691102 2.1086 BFGS: 8872 16:54:04 -463.691189 2.1085 BFGS: 8873 16:54:04 -463.691277 2.1084 BFGS: 8874 16:54:04 -463.691365 2.1083 BFGS: 8875 16:54:04 -463.691453 2.1082 BFGS: 8876 16:54:04 -463.691540 2.1081 BFGS: 8877 16:54:04 -463.691628 2.1080 BFGS: 8878 16:54:04 -463.691716 2.1080 BFGS: 8879 16:54:04 -463.691803 2.1079 BFGS: 8880 16:54:04 -463.691891 2.1078 BFGS: 8881 16:54:04 -463.691979 2.1077 BFGS: 8882 16:54:04 -463.692066 2.1076 BFGS: 8883 16:54:04 -463.692154 2.1075 BFGS: 8884 16:54:04 -463.692242 2.1074 BFGS: 8885 16:54:04 -463.692329 2.1073 BFGS: 8886 16:54:04 -463.692417 2.1072 BFGS: 8887 16:54:04 -463.692505 2.1072 BFGS: 8888 16:54:04 -463.692592 2.1071 BFGS: 8889 16:54:04 -463.692680 2.1070 BFGS: 8890 16:54:04 -463.692768 2.1069 BFGS: 8891 16:54:04 -463.692855 2.1068 BFGS: 8892 16:54:04 -463.692943 2.1067 BFGS: 8893 16:54:05 -463.693031 2.1066 BFGS: 8894 16:54:05 -463.693118 2.1065 BFGS: 8895 16:54:05 -463.693206 2.1064 BFGS: 8896 16:54:05 -463.693293 2.1064 BFGS: 8897 16:54:05 -463.693381 2.1063 BFGS: 8898 16:54:05 -463.693469 2.1062 BFGS: 8899 16:54:05 -463.693556 2.1061 BFGS: 8900 16:54:05 -463.693644 2.1060 BFGS: 8901 16:54:05 -463.693731 2.1059 BFGS: 8902 16:54:05 -463.693819 2.1058 BFGS: 8903 16:54:05 -463.693907 2.1057 BFGS: 8904 16:54:05 -463.693994 2.1056 BFGS: 8905 16:54:05 -463.694082 2.1056 BFGS: 8906 16:54:05 -463.694169 2.1055 BFGS: 8907 16:54:05 -463.694257 2.1054 BFGS: 8908 16:54:05 -463.694345 2.1053 BFGS: 8909 16:54:05 -463.694432 2.1052 BFGS: 8910 16:54:05 -463.694520 2.1051 BFGS: 8911 16:54:05 -463.694607 2.1050 BFGS: 8912 16:54:05 -463.694695 2.1049 BFGS: 8913 16:54:05 -463.694782 2.1048 BFGS: 8914 16:54:06 -463.694870 2.1047 BFGS: 8915 16:54:06 -463.694958 2.1047 BFGS: 8916 16:54:06 -463.695045 2.1046 BFGS: 8917 16:54:06 -463.695133 2.1045 BFGS: 8918 16:54:06 -463.695220 2.1044 BFGS: 8919 16:54:06 -463.695308 2.1043 BFGS: 8920 16:54:06 -463.695395 2.1042 BFGS: 8921 16:54:06 -463.695483 2.1041 BFGS: 8922 16:54:06 -463.695570 2.1040 BFGS: 8923 16:54:06 -463.695658 2.1039 BFGS: 8924 16:54:06 -463.695745 2.1039 BFGS: 8925 16:54:06 -463.695833 2.1038 BFGS: 8926 16:54:06 -463.695920 2.1037 BFGS: 8927 16:54:06 -463.696008 2.1036 BFGS: 8928 16:54:06 -463.696095 2.1035 BFGS: 8929 16:54:06 -463.696183 2.1034 BFGS: 8930 16:54:06 -463.696270 2.1033 BFGS: 8931 16:54:06 -463.696358 2.1032 BFGS: 8932 16:54:06 -463.696445 2.1031 BFGS: 8933 16:54:06 -463.696533 2.1031 BFGS: 8934 16:54:06 -463.696620 2.1030 BFGS: 8935 16:54:07 -463.696708 2.1029 BFGS: 8936 16:54:07 -463.696795 2.1028 BFGS: 8937 16:54:07 -463.696883 2.1027 BFGS: 8938 16:54:07 -463.696970 2.1026 BFGS: 8939 16:54:07 -463.697058 2.1025 BFGS: 8940 16:54:07 -463.697145 2.1024 BFGS: 8941 16:54:07 -463.697233 2.1023 BFGS: 8942 16:54:07 -463.697320 2.1023 BFGS: 8943 16:54:07 -463.697408 2.1022 BFGS: 8944 16:54:07 -463.697495 2.1021 BFGS: 8945 16:54:07 -463.697582 2.1020 BFGS: 8946 16:54:07 -463.697670 2.1019 BFGS: 8947 16:54:07 -463.697757 2.1018 BFGS: 8948 16:54:07 -463.697845 2.1017 BFGS: 8949 16:54:07 -463.697932 2.1016 BFGS: 8950 16:54:07 -463.698020 2.1016 BFGS: 8951 16:54:07 -463.698107 2.1015 BFGS: 8952 16:54:07 -463.698194 2.1014 BFGS: 8953 16:54:07 -463.698282 2.1013 BFGS: 8954 16:54:07 -463.698369 2.1012 BFGS: 8955 16:54:07 -463.698457 2.1011 BFGS: 8956 16:54:07 -463.698544 2.1010 BFGS: 8957 16:54:08 -463.698631 2.1009 BFGS: 8958 16:54:08 -463.698719 2.1008 BFGS: 8959 16:54:08 -463.698806 2.1007 BFGS: 8960 16:54:08 -463.698894 2.1007 BFGS: 8961 16:54:08 -463.698981 2.1006 BFGS: 8962 16:54:08 -463.699068 2.1005 BFGS: 8963 16:54:08 -463.699156 2.1004 BFGS: 8964 16:54:08 -463.699243 2.1003 BFGS: 8965 16:54:08 -463.699330 2.1002 BFGS: 8966 16:54:08 -463.699418 2.1001 BFGS: 8967 16:54:08 -463.699505 2.1000 BFGS: 8968 16:54:08 -463.699593 2.0999 BFGS: 8969 16:54:08 -463.699680 2.0999 BFGS: 8970 16:54:08 -463.699767 2.0998 BFGS: 8971 16:54:08 -463.699855 2.0997 BFGS: 8972 16:54:08 -463.699942 2.0996 BFGS: 8973 16:54:08 -463.700029 2.0995 BFGS: 8974 16:54:08 -463.700117 2.0994 BFGS: 8975 16:54:08 -463.700204 2.0993 BFGS: 8976 16:54:08 -463.700291 2.0992 BFGS: 8977 16:54:08 -463.700379 2.0991 BFGS: 8978 16:54:09 -463.700466 2.0991 BFGS: 8979 16:54:09 -463.700553 2.0990 BFGS: 8980 16:54:09 -463.700641 2.0989 BFGS: 8981 16:54:09 -463.700728 2.0988 BFGS: 8982 16:54:09 -463.700815 2.0987 BFGS: 8983 16:54:09 -463.700902 2.0986 BFGS: 8984 16:54:09 -463.700990 2.0985 BFGS: 8985 16:54:09 -463.701077 2.0984 BFGS: 8986 16:54:09 -463.701164 2.0983 BFGS: 8987 16:54:09 -463.701252 2.0982 BFGS: 8988 16:54:09 -463.701339 2.0982 BFGS: 8989 16:54:09 -463.701426 2.0981 BFGS: 8990 16:54:09 -463.701513 2.0980 BFGS: 8991 16:54:09 -463.701601 2.0979 BFGS: 8992 16:54:09 -463.701688 2.0978 BFGS: 8993 16:54:09 -463.701775 2.0977 BFGS: 8994 16:54:09 -463.701863 2.0976 BFGS: 8995 16:54:09 -463.701950 2.0975 BFGS: 8996 16:54:09 -463.702037 2.0974 BFGS: 8997 16:54:09 -463.702124 2.0973 BFGS: 8998 16:54:09 -463.702212 2.0973 BFGS: 8999 16:54:10 -463.702299 2.0972 BFGS: 9000 16:54:10 -463.702386 2.0971 BFGS: 9001 16:54:10 -463.702473 2.0970 BFGS: 9002 16:54:10 -463.702560 2.0969 BFGS: 9003 16:54:10 -463.702648 2.0968 BFGS: 9004 16:54:10 -463.702735 2.0967 BFGS: 9005 16:54:10 -463.702822 2.0966 BFGS: 9006 16:54:10 -463.702909 2.0965 BFGS: 9007 16:54:10 -463.702997 2.0965 BFGS: 9008 16:54:10 -463.703084 2.0964 BFGS: 9009 16:54:10 -463.703171 2.0963 BFGS: 9010 16:54:10 -463.703258 2.0962 BFGS: 9011 16:54:10 -463.703345 2.0961 BFGS: 9012 16:54:10 -463.703433 2.0960 BFGS: 9013 16:54:10 -463.703520 2.0959 BFGS: 9014 16:54:10 -463.703607 2.0958 BFGS: 9015 16:54:10 -463.703694 2.0957 BFGS: 9016 16:54:10 -463.703781 2.0957 BFGS: 9017 16:54:10 -463.703868 2.0956 BFGS: 9018 16:54:10 -463.703956 2.0955 BFGS: 9019 16:54:10 -463.704043 2.0954 BFGS: 9020 16:54:10 -463.704130 2.0953 BFGS: 9021 16:54:11 -463.704217 2.0952 BFGS: 9022 16:54:11 -463.704304 2.0951 BFGS: 9023 16:54:11 -463.704391 2.0950 BFGS: 9024 16:54:11 -463.704479 2.0949 BFGS: 9025 16:54:11 -463.704566 2.0949 BFGS: 9026 16:54:11 -463.704653 2.0948 BFGS: 9027 16:54:11 -463.704740 2.0947 BFGS: 9028 16:54:11 -463.704827 2.0946 BFGS: 9029 16:54:11 -463.704914 2.0945 BFGS: 9030 16:54:11 -463.705001 2.0944 BFGS: 9031 16:54:11 -463.705089 2.0943 BFGS: 9032 16:54:11 -463.705176 2.0942 BFGS: 9033 16:54:11 -463.705263 2.0941 BFGS: 9034 16:54:11 -463.705350 2.0940 BFGS: 9035 16:54:11 -463.705437 2.0939 BFGS: 9036 16:54:11 -463.705524 2.0939 BFGS: 9037 16:54:11 -463.705611 2.0938 BFGS: 9038 16:54:11 -463.705698 2.0937 BFGS: 9039 16:54:11 -463.705785 2.0936 BFGS: 9040 16:54:11 -463.705872 2.0935 BFGS: 9041 16:54:11 -463.705960 2.0934 BFGS: 9042 16:54:12 -463.706047 2.0933 BFGS: 9043 16:54:12 -463.706134 2.0932 BFGS: 9044 16:54:12 -463.706221 2.0931 BFGS: 9045 16:54:12 -463.706308 2.0931 BFGS: 9046 16:54:12 -463.706395 2.0930 BFGS: 9047 16:54:12 -463.706482 2.0929 BFGS: 9048 16:54:12 -463.706569 2.0928 BFGS: 9049 16:54:12 -463.706656 2.0927 BFGS: 9050 16:54:12 -463.706743 2.0926 BFGS: 9051 16:54:12 -463.706830 2.0925 BFGS: 9052 16:54:12 -463.706917 2.0924 BFGS: 9053 16:54:12 -463.707004 2.0923 BFGS: 9054 16:54:12 -463.707091 2.0922 BFGS: 9055 16:54:12 -463.707178 2.0922 BFGS: 9056 16:54:12 -463.707265 2.0921 BFGS: 9057 16:54:12 -463.707352 2.0920 BFGS: 9058 16:54:12 -463.707439 2.0919 BFGS: 9059 16:54:12 -463.707526 2.0918 BFGS: 9060 16:54:12 -463.707614 2.0917 BFGS: 9061 16:54:12 -463.707701 2.0916 BFGS: 9062 16:54:12 -463.707788 2.0915 BFGS: 9063 16:54:13 -463.707875 2.0914 BFGS: 9064 16:54:13 -463.707962 2.0914 BFGS: 9065 16:54:13 -463.708049 2.0913 BFGS: 9066 16:54:13 -463.708136 2.0912 BFGS: 9067 16:54:13 -463.708223 2.0911 BFGS: 9068 16:54:13 -463.708309 2.0910 BFGS: 9069 16:54:13 -463.708396 2.0909 BFGS: 9070 16:54:13 -463.708483 2.0908 BFGS: 9071 16:54:13 -463.708570 2.0907 BFGS: 9072 16:54:13 -463.708657 2.0906 BFGS: 9073 16:54:13 -463.708744 2.0905 BFGS: 9074 16:54:13 -463.708831 2.0905 BFGS: 9075 16:54:13 -463.708918 2.0904 BFGS: 9076 16:54:13 -463.709005 2.0903 BFGS: 9077 16:54:13 -463.709092 2.0902 BFGS: 9078 16:54:13 -463.709179 2.0901 BFGS: 9079 16:54:13 -463.709266 2.0900 BFGS: 9080 16:54:13 -463.709353 2.0899 BFGS: 9081 16:54:13 -463.709440 2.0898 BFGS: 9082 16:54:13 -463.709527 2.0897 BFGS: 9083 16:54:13 -463.709614 2.0897 BFGS: 9084 16:54:14 -463.709701 2.0896 BFGS: 9085 16:54:14 -463.709788 2.0895 BFGS: 9086 16:54:14 -463.709875 2.0894 BFGS: 9087 16:54:14 -463.709962 2.0893 BFGS: 9088 16:54:14 -463.710048 2.0892 BFGS: 9089 16:54:14 -463.710135 2.0891 BFGS: 9090 16:54:14 -463.710222 2.0890 BFGS: 9091 16:54:14 -463.710309 2.0890 BFGS: 9092 16:54:14 -463.710396 2.0889 BFGS: 9093 16:54:14 -463.710483 2.0888 BFGS: 9094 16:54:14 -463.710570 2.0887 BFGS: 9095 16:54:14 -463.710657 2.0886 BFGS: 9096 16:54:14 -463.710744 2.0885 BFGS: 9097 16:54:14 -463.710830 2.0884 BFGS: 9098 16:54:14 -463.710917 2.0883 BFGS: 9099 16:54:14 -463.711004 2.0882 BFGS: 9100 16:54:14 -463.711091 2.0881 BFGS: 9101 16:54:14 -463.711178 2.0880 BFGS: 9102 16:54:14 -463.711265 2.0880 BFGS: 9103 16:54:14 -463.711352 2.0879 BFGS: 9104 16:54:14 -463.711439 2.0878 BFGS: 9105 16:54:14 -463.711525 2.0877 BFGS: 9106 16:54:15 -463.711612 2.0876 BFGS: 9107 16:54:15 -463.711699 2.0875 BFGS: 9108 16:54:15 -463.711786 2.0874 BFGS: 9109 16:54:15 -463.711873 2.0873 BFGS: 9110 16:54:15 -463.711960 2.0872 BFGS: 9111 16:54:15 -463.712046 2.0872 BFGS: 9112 16:54:15 -463.712133 2.0871 BFGS: 9113 16:54:15 -463.712220 2.0870 BFGS: 9114 16:54:15 -463.712307 2.0869 BFGS: 9115 16:54:15 -463.712394 2.0868 BFGS: 9116 16:54:15 -463.712480 2.0867 BFGS: 9117 16:54:15 -463.712567 2.0866 BFGS: 9118 16:54:15 -463.712654 2.0865 BFGS: 9119 16:54:15 -463.712741 2.0864 BFGS: 9120 16:54:15 -463.712828 2.0864 BFGS: 9121 16:54:15 -463.712914 2.0863 BFGS: 9122 16:54:15 -463.713001 2.0862 BFGS: 9123 16:54:15 -463.713088 2.0861 BFGS: 9124 16:54:15 -463.713175 2.0860 BFGS: 9125 16:54:15 -463.713262 2.0859 BFGS: 9126 16:54:15 -463.713348 2.0858 BFGS: 9127 16:54:16 -463.713435 2.0857 BFGS: 9128 16:54:16 -463.713522 2.0856 BFGS: 9129 16:54:16 -463.713609 2.0856 BFGS: 9130 16:54:16 -463.713695 2.0855 BFGS: 9131 16:54:16 -463.713782 2.0854 BFGS: 9132 16:54:16 -463.713869 2.0853 BFGS: 9133 16:54:16 -463.713956 2.0852 BFGS: 9134 16:54:16 -463.714042 2.0851 BFGS: 9135 16:54:16 -463.714129 2.0850 BFGS: 9136 16:54:16 -463.714216 2.0849 BFGS: 9137 16:54:16 -463.714303 2.0848 BFGS: 9138 16:54:16 -463.714389 2.0847 BFGS: 9139 16:54:16 -463.714476 2.0847 BFGS: 9140 16:54:16 -463.714563 2.0846 BFGS: 9141 16:54:16 -463.714649 2.0845 BFGS: 9142 16:54:16 -463.714736 2.0844 BFGS: 9143 16:54:16 -463.714823 2.0843 BFGS: 9144 16:54:16 -463.714910 2.0842 BFGS: 9145 16:54:16 -463.714996 2.0841 BFGS: 9146 16:54:16 -463.715083 2.0840 BFGS: 9147 16:54:16 -463.715170 2.0839 BFGS: 9148 16:54:17 -463.715256 2.0839 BFGS: 9149 16:54:17 -463.715343 2.0838 BFGS: 9150 16:54:17 -463.715430 2.0837 BFGS: 9151 16:54:17 -463.715516 2.0836 BFGS: 9152 16:54:17 -463.715603 2.0835 BFGS: 9153 16:54:17 -463.715690 2.0834 BFGS: 9154 16:54:17 -463.715776 2.0833 BFGS: 9155 16:54:17 -463.715863 2.0832 BFGS: 9156 16:54:17 -463.715950 2.0831 BFGS: 9157 16:54:17 -463.716036 2.0831 BFGS: 9158 16:54:17 -463.716123 2.0830 BFGS: 9159 16:54:17 -463.716210 2.0829 BFGS: 9160 16:54:17 -463.716296 2.0828 BFGS: 9161 16:54:17 -463.716383 2.0827 BFGS: 9162 16:54:17 -463.716470 2.0826 BFGS: 9163 16:54:17 -463.716556 2.0825 BFGS: 9164 16:54:17 -463.716643 2.0824 BFGS: 9165 16:54:17 -463.716729 2.0823 BFGS: 9166 16:54:17 -463.716816 2.0822 BFGS: 9167 16:54:17 -463.716903 2.0822 BFGS: 9168 16:54:17 -463.716989 2.0821 BFGS: 9169 16:54:17 -463.717076 2.0820 BFGS: 9170 16:54:18 -463.717162 2.0819 BFGS: 9171 16:54:18 -463.717249 2.0818 BFGS: 9172 16:54:18 -463.717336 2.0817 BFGS: 9173 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2.0702 BFGS: 9301 16:54:24 -463.728476 2.0701 BFGS: 9302 16:54:24 -463.728562 2.0700 BFGS: 9303 16:54:24 -463.728648 2.0699 BFGS: 9304 16:54:24 -463.728734 2.0699 BFGS: 9305 16:54:24 -463.728820 2.0698 BFGS: 9306 16:54:24 -463.728906 2.0697 BFGS: 9307 16:54:24 -463.728992 2.0696 BFGS: 9308 16:54:24 -463.729078 2.0695 BFGS: 9309 16:54:24 -463.729164 2.0694 BFGS: 9310 16:54:24 -463.729251 2.0693 BFGS: 9311 16:54:24 -463.729337 2.0692 BFGS: 9312 16:54:24 -463.729423 2.0691 BFGS: 9313 16:54:24 -463.729509 2.0690 BFGS: 9314 16:54:24 -463.729595 2.0689 BFGS: 9315 16:54:24 -463.729681 2.0689 BFGS: 9316 16:54:24 -463.729767 2.0688 BFGS: 9317 16:54:24 -463.729853 2.0687 BFGS: 9318 16:54:24 -463.729939 2.0686 BFGS: 9319 16:54:25 -463.730025 2.0685 BFGS: 9320 16:54:25 -463.730111 2.0684 BFGS: 9321 16:54:25 -463.730197 2.0683 BFGS: 9322 16:54:25 -463.730283 2.0682 BFGS: 9323 16:54:25 -463.730369 2.0681 BFGS: 9324 16:54:25 -463.730455 2.0680 BFGS: 9325 16:54:25 -463.730541 2.0680 BFGS: 9326 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2.0518 BFGS: 9505 16:54:33 -463.745965 2.0517 BFGS: 9506 16:54:33 -463.746051 2.0516 BFGS: 9507 16:54:33 -463.746136 2.0515 BFGS: 9508 16:54:33 -463.746221 2.0514 BFGS: 9509 16:54:33 -463.746307 2.0513 BFGS: 9510 16:54:33 -463.746392 2.0512 BFGS: 9511 16:54:34 -463.746477 2.0512 BFGS: 9512 16:54:34 -463.746563 2.0511 BFGS: 9513 16:54:34 -463.746648 2.0510 BFGS: 9514 16:54:34 -463.746733 2.0509 BFGS: 9515 16:54:34 -463.746819 2.0508 BFGS: 9516 16:54:34 -463.746904 2.0507 BFGS: 9517 16:54:34 -463.746989 2.0506 BFGS: 9518 16:54:34 -463.747075 2.0505 BFGS: 9519 16:54:34 -463.747160 2.0504 BFGS: 9520 16:54:34 -463.747245 2.0503 BFGS: 9521 16:54:34 -463.747331 2.0503 BFGS: 9522 16:54:34 -463.747416 2.0502 BFGS: 9523 16:54:34 -463.747501 2.0501 BFGS: 9524 16:54:34 -463.747586 2.0500 BFGS: 9525 16:54:34 -463.747672 2.0499 BFGS: 9526 16:54:34 -463.747757 2.0498 BFGS: 9527 16:54:34 -463.747842 2.0497 BFGS: 9528 16:54:34 -463.747928 2.0496 BFGS: 9529 16:54:34 -463.748013 2.0495 BFGS: 9530 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2.0472 BFGS: 9556 16:54:36 -463.750314 2.0471 BFGS: 9557 16:54:36 -463.750399 2.0470 BFGS: 9558 16:54:36 -463.750484 2.0469 BFGS: 9559 16:54:36 -463.750569 2.0468 BFGS: 9560 16:54:36 -463.750654 2.0467 BFGS: 9561 16:54:36 -463.750739 2.0466 BFGS: 9562 16:54:36 -463.750824 2.0465 BFGS: 9563 16:54:36 -463.750910 2.0464 BFGS: 9564 16:54:36 -463.750995 2.0464 BFGS: 9565 16:54:36 -463.751080 2.0463 BFGS: 9566 16:54:36 -463.751165 2.0462 BFGS: 9567 16:54:36 -463.751250 2.0461 BFGS: 9568 16:54:36 -463.751335 2.0460 BFGS: 9569 16:54:36 -463.751420 2.0459 BFGS: 9570 16:54:36 -463.751505 2.0458 BFGS: 9571 16:54:36 -463.751590 2.0457 BFGS: 9572 16:54:36 -463.751676 2.0456 BFGS: 9573 16:54:36 -463.751761 2.0455 BFGS: 9574 16:54:36 -463.751846 2.0455 BFGS: 9575 16:54:37 -463.751931 2.0454 BFGS: 9576 16:54:37 -463.752016 2.0453 BFGS: 9577 16:54:37 -463.752101 2.0452 BFGS: 9578 16:54:37 -463.752186 2.0451 BFGS: 9579 16:54:37 -463.752271 2.0450 BFGS: 9580 16:54:37 -463.752356 2.0449 BFGS: 9581 16:54:37 -463.752441 2.0448 BFGS: 9582 16:54:37 -463.752526 2.0447 BFGS: 9583 16:54:37 -463.752611 2.0446 BFGS: 9584 16:54:37 -463.752697 2.0445 BFGS: 9585 16:54:37 -463.752782 2.0445 BFGS: 9586 16:54:37 -463.752867 2.0444 BFGS: 9587 16:54:37 -463.752952 2.0443 BFGS: 9588 16:54:37 -463.753037 2.0442 BFGS: 9589 16:54:37 -463.753122 2.0441 BFGS: 9590 16:54:37 -463.753207 2.0440 BFGS: 9591 16:54:37 -463.753292 2.0439 BFGS: 9592 16:54:37 -463.753377 2.0438 BFGS: 9593 16:54:37 -463.753462 2.0437 BFGS: 9594 16:54:37 -463.753547 2.0437 BFGS: 9595 16:54:37 -463.753632 2.0436 BFGS: 9596 16:54:38 -463.753717 2.0435 BFGS: 9597 16:54:38 -463.753802 2.0434 BFGS: 9598 16:54:38 -463.753887 2.0433 BFGS: 9599 16:54:38 -463.753972 2.0432 BFGS: 9600 16:54:38 -463.754057 2.0431 BFGS: 9601 16:54:38 -463.754142 2.0430 BFGS: 9602 16:54:38 -463.754227 2.0429 BFGS: 9603 16:54:38 -463.754312 2.0428 BFGS: 9604 16:54:38 -463.754397 2.0427 BFGS: 9605 16:54:38 -463.754482 2.0427 BFGS: 9606 16:54:38 -463.754567 2.0426 BFGS: 9607 16:54:38 -463.754652 2.0425 BFGS: 9608 16:54:38 -463.754737 2.0424 BFGS: 9609 16:54:38 -463.754822 2.0423 BFGS: 9610 16:54:38 -463.754907 2.0422 BFGS: 9611 16:54:38 -463.754992 2.0421 BFGS: 9612 16:54:38 -463.755077 2.0420 BFGS: 9613 16:54:38 -463.755162 2.0419 BFGS: 9614 16:54:38 -463.755246 2.0418 BFGS: 9615 16:54:38 -463.755331 2.0418 BFGS: 9616 16:54:38 -463.755416 2.0417 BFGS: 9617 16:54:39 -463.755501 2.0416 BFGS: 9618 16:54:39 -463.755586 2.0415 BFGS: 9619 16:54:39 -463.755671 2.0414 BFGS: 9620 16:54:39 -463.755756 2.0413 BFGS: 9621 16:54:39 -463.755841 2.0412 BFGS: 9622 16:54:39 -463.755926 2.0411 BFGS: 9623 16:54:39 -463.756011 2.0410 BFGS: 9624 16:54:39 -463.756096 2.0409 BFGS: 9625 16:54:39 -463.756181 2.0408 BFGS: 9626 16:54:39 -463.756266 2.0408 BFGS: 9627 16:54:39 -463.756350 2.0407 BFGS: 9628 16:54:39 -463.756435 2.0406 BFGS: 9629 16:54:39 -463.756520 2.0405 BFGS: 9630 16:54:39 -463.756605 2.0404 BFGS: 9631 16:54:39 -463.756690 2.0403 BFGS: 9632 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2.0379 BFGS: 9658 16:54:40 -463.758980 2.0379 BFGS: 9659 16:54:40 -463.759065 2.0378 BFGS: 9660 16:54:41 -463.759150 2.0377 BFGS: 9661 16:54:41 -463.759235 2.0376 BFGS: 9662 16:54:41 -463.759319 2.0375 BFGS: 9663 16:54:41 -463.759404 2.0374 BFGS: 9664 16:54:41 -463.759489 2.0373 BFGS: 9665 16:54:41 -463.759574 2.0372 BFGS: 9666 16:54:41 -463.759658 2.0371 BFGS: 9667 16:54:41 -463.759743 2.0370 BFGS: 9668 16:54:41 -463.759828 2.0369 BFGS: 9669 16:54:41 -463.759913 2.0369 BFGS: 9670 16:54:41 -463.759997 2.0368 BFGS: 9671 16:54:41 -463.760082 2.0367 BFGS: 9672 16:54:41 -463.760167 2.0366 BFGS: 9673 16:54:41 -463.760252 2.0365 BFGS: 9674 16:54:41 -463.760336 2.0364 BFGS: 9675 16:54:41 -463.760421 2.0363 BFGS: 9676 16:54:41 -463.760506 2.0362 BFGS: 9677 16:54:41 -463.760590 2.0361 BFGS: 9678 16:54:41 -463.760675 2.0360 BFGS: 9679 16:54:41 -463.760760 2.0359 BFGS: 9680 16:54:41 -463.760844 2.0359 BFGS: 9681 16:54:41 -463.760929 2.0358 BFGS: 9682 16:54:42 -463.761014 2.0357 BFGS: 9683 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2.0333 BFGS: 9709 16:54:43 -463.763299 2.0332 BFGS: 9710 16:54:43 -463.763384 2.0331 BFGS: 9711 16:54:43 -463.763468 2.0330 BFGS: 9712 16:54:43 -463.763553 2.0329 BFGS: 9713 16:54:43 -463.763637 2.0328 BFGS: 9714 16:54:43 -463.763722 2.0327 BFGS: 9715 16:54:43 -463.763806 2.0327 BFGS: 9716 16:54:43 -463.763891 2.0326 BFGS: 9717 16:54:43 -463.763976 2.0325 BFGS: 9718 16:54:43 -463.764060 2.0324 BFGS: 9719 16:54:43 -463.764145 2.0323 BFGS: 9720 16:54:43 -463.764229 2.0322 BFGS: 9721 16:54:43 -463.764314 2.0321 BFGS: 9722 16:54:43 -463.764398 2.0320 BFGS: 9723 16:54:43 -463.764483 2.0319 BFGS: 9724 16:54:44 -463.764567 2.0318 BFGS: 9725 16:54:44 -463.764652 2.0317 BFGS: 9726 16:54:44 -463.764736 2.0317 BFGS: 9727 16:54:44 -463.764821 2.0316 BFGS: 9728 16:54:44 -463.764905 2.0315 BFGS: 9729 16:54:44 -463.764990 2.0314 BFGS: 9730 16:54:44 -463.765074 2.0313 BFGS: 9731 16:54:44 -463.765159 2.0312 BFGS: 9732 16:54:44 -463.765243 2.0311 BFGS: 9733 16:54:44 -463.765328 2.0310 BFGS: 9734 16:54:44 -463.765412 2.0309 BFGS: 9735 16:54:44 -463.765497 2.0308 BFGS: 9736 16:54:44 -463.765581 2.0307 BFGS: 9737 16:54:44 -463.765666 2.0307 BFGS: 9738 16:54:44 -463.765750 2.0306 BFGS: 9739 16:54:44 -463.765835 2.0305 BFGS: 9740 16:54:44 -463.765919 2.0304 BFGS: 9741 16:54:44 -463.766004 2.0303 BFGS: 9742 16:54:44 -463.766088 2.0302 BFGS: 9743 16:54:44 -463.766173 2.0301 BFGS: 9744 16:54:44 -463.766257 2.0300 BFGS: 9745 16:54:44 -463.766342 2.0299 BFGS: 9746 16:54:45 -463.766426 2.0298 BFGS: 9747 16:54:45 -463.766511 2.0297 BFGS: 9748 16:54:45 -463.766595 2.0296 BFGS: 9749 16:54:45 -463.766679 2.0296 BFGS: 9750 16:54:45 -463.766764 2.0295 BFGS: 9751 16:54:45 -463.766848 2.0294 BFGS: 9752 16:54:45 -463.766933 2.0293 BFGS: 9753 16:54:45 -463.767017 2.0292 BFGS: 9754 16:54:45 -463.767102 2.0291 BFGS: 9755 16:54:45 -463.767186 2.0290 BFGS: 9756 16:54:45 -463.767270 2.0289 BFGS: 9757 16:54:45 -463.767355 2.0288 BFGS: 9758 16:54:45 -463.767439 2.0287 BFGS: 9759 16:54:45 -463.767524 2.0286 BFGS: 9760 16:54:45 -463.767608 2.0286 BFGS: 9761 16:54:45 -463.767692 2.0285 BFGS: 9762 16:54:45 -463.767777 2.0284 BFGS: 9763 16:54:45 -463.767861 2.0283 BFGS: 9764 16:54:45 -463.767945 2.0282 BFGS: 9765 16:54:45 -463.768030 2.0281 BFGS: 9766 16:54:45 -463.768114 2.0280 BFGS: 9767 16:54:46 -463.768199 2.0279 BFGS: 9768 16:54:46 -463.768283 2.0278 BFGS: 9769 16:54:46 -463.768367 2.0277 BFGS: 9770 16:54:46 -463.768452 2.0276 BFGS: 9771 16:54:46 -463.768536 2.0275 BFGS: 9772 16:54:46 -463.768620 2.0275 BFGS: 9773 16:54:46 -463.768705 2.0274 BFGS: 9774 16:54:46 -463.768789 2.0273 BFGS: 9775 16:54:46 -463.768873 2.0272 BFGS: 9776 16:54:46 -463.768958 2.0271 BFGS: 9777 16:54:46 -463.769042 2.0270 BFGS: 9778 16:54:46 -463.769126 2.0269 BFGS: 9779 16:54:46 -463.769211 2.0268 BFGS: 9780 16:54:46 -463.769295 2.0267 BFGS: 9781 16:54:46 -463.769379 2.0266 BFGS: 9782 16:54:46 -463.769464 2.0265 BFGS: 9783 16:54:46 -463.769548 2.0265 BFGS: 9784 16:54:46 -463.769632 2.0264 BFGS: 9785 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2.0240 BFGS: 9811 16:54:48 -463.771907 2.0239 BFGS: 9812 16:54:48 -463.771991 2.0238 BFGS: 9813 16:54:48 -463.772075 2.0237 BFGS: 9814 16:54:48 -463.772160 2.0236 BFGS: 9815 16:54:48 -463.772244 2.0235 BFGS: 9816 16:54:48 -463.772328 2.0235 BFGS: 9817 16:54:48 -463.772412 2.0234 BFGS: 9818 16:54:48 -463.772496 2.0233 BFGS: 9819 16:54:48 -463.772581 2.0232 BFGS: 9820 16:54:48 -463.772665 2.0231 BFGS: 9821 16:54:48 -463.772749 2.0230 BFGS: 9822 16:54:48 -463.772833 2.0229 BFGS: 9823 16:54:48 -463.772917 2.0228 BFGS: 9824 16:54:48 -463.773001 2.0227 BFGS: 9825 16:54:48 -463.773085 2.0226 BFGS: 9826 16:54:48 -463.773170 2.0226 BFGS: 9827 16:54:48 -463.773254 2.0225 BFGS: 9828 16:54:48 -463.773338 2.0224 BFGS: 9829 16:54:48 -463.773422 2.0223 BFGS: 9830 16:54:48 -463.773506 2.0222 BFGS: 9831 16:54:49 -463.773590 2.0221 BFGS: 9832 16:54:49 -463.773674 2.0220 BFGS: 9833 16:54:49 -463.773759 2.0219 BFGS: 9834 16:54:49 -463.773843 2.0218 BFGS: 9835 16:54:49 -463.773927 2.0217 BFGS: 9836 16:54:49 -463.774011 2.0216 BFGS: 9837 16:54:49 -463.774095 2.0215 BFGS: 9838 16:54:49 -463.774179 2.0215 BFGS: 9839 16:54:49 -463.774263 2.0214 BFGS: 9840 16:54:49 -463.774347 2.0213 BFGS: 9841 16:54:49 -463.774431 2.0212 BFGS: 9842 16:54:49 -463.774515 2.0211 BFGS: 9843 16:54:49 -463.774599 2.0210 BFGS: 9844 16:54:49 -463.774684 2.0209 BFGS: 9845 16:54:49 -463.774768 2.0208 BFGS: 9846 16:54:49 -463.774852 2.0207 BFGS: 9847 16:54:49 -463.774936 2.0206 BFGS: 9848 16:54:49 -463.775020 2.0205 BFGS: 9849 16:54:49 -463.775104 2.0205 BFGS: 9850 16:54:49 -463.775188 2.0204 BFGS: 9851 16:54:49 -463.775272 2.0203 BFGS: 9852 16:54:49 -463.775356 2.0202 BFGS: 9853 16:54:50 -463.775440 2.0201 BFGS: 9854 16:54:50 -463.775524 2.0200 BFGS: 9855 16:54:50 -463.775608 2.0199 BFGS: 9856 16:54:50 -463.775692 2.0198 BFGS: 9857 16:54:50 -463.775776 2.0197 BFGS: 9858 16:54:50 -463.775860 2.0196 BFGS: 9859 16:54:50 -463.775944 2.0195 BFGS: 9860 16:54:50 -463.776028 2.0194 BFGS: 9861 16:54:50 -463.776112 2.0194 BFGS: 9862 16:54:50 -463.776196 2.0193 BFGS: 9863 16:54:50 -463.776280 2.0192 BFGS: 9864 16:54:50 -463.776364 2.0191 BFGS: 9865 16:54:50 -463.776448 2.0190 BFGS: 9866 16:54:50 -463.776532 2.0189 BFGS: 9867 16:54:50 -463.776616 2.0188 BFGS: 9868 16:54:50 -463.776700 2.0187 BFGS: 9869 16:54:50 -463.776784 2.0186 BFGS: 9870 16:54:50 -463.776868 2.0185 BFGS: 9871 16:54:50 -463.776952 2.0185 BFGS: 9872 16:54:50 -463.777036 2.0184 BFGS: 9873 16:54:50 -463.777120 2.0183 BFGS: 9874 16:54:51 -463.777204 2.0182 BFGS: 9875 16:54:51 -463.777288 2.0181 BFGS: 9876 16:54:51 -463.777372 2.0180 BFGS: 9877 16:54:51 -463.777456 2.0179 BFGS: 9878 16:54:51 -463.777540 2.0178 BFGS: 9879 16:54:51 -463.777624 2.0177 BFGS: 9880 16:54:51 -463.777708 2.0176 BFGS: 9881 16:54:51 -463.777792 2.0175 BFGS: 9882 16:54:51 -463.777876 2.0175 BFGS: 9883 16:54:51 -463.777960 2.0174 BFGS: 9884 16:54:51 -463.778044 2.0173 BFGS: 9885 16:54:51 -463.778127 2.0172 BFGS: 9886 16:54:51 -463.778211 2.0171 BFGS: 9887 16:54:51 -463.778295 2.0170 BFGS: 9888 16:54:51 -463.778379 2.0169 BFGS: 9889 16:54:51 -463.778463 2.0168 BFGS: 9890 16:54:51 -463.778547 2.0167 BFGS: 9891 16:54:51 -463.778631 2.0166 BFGS: 9892 16:54:51 -463.778715 2.0165 BFGS: 9893 16:54:51 -463.778799 2.0165 BFGS: 9894 16:54:51 -463.778883 2.0164 BFGS: 9895 16:54:51 -463.778966 2.0163 BFGS: 9896 16:54:52 -463.779050 2.0162 BFGS: 9897 16:54:52 -463.779134 2.0161 BFGS: 9898 16:54:52 -463.779218 2.0160 BFGS: 9899 16:54:52 -463.779302 2.0159 BFGS: 9900 16:54:52 -463.779386 2.0158 BFGS: 9901 16:54:52 -463.779470 2.0157 BFGS: 9902 16:54:52 -463.779554 2.0156 BFGS: 9903 16:54:52 -463.779637 2.0155 BFGS: 9904 16:54:52 -463.779721 2.0155 BFGS: 9905 16:54:52 -463.779805 2.0154 BFGS: 9906 16:54:52 -463.779889 2.0153 BFGS: 9907 16:54:52 -463.779973 2.0152 BFGS: 9908 16:54:52 -463.780057 2.0151 BFGS: 9909 16:54:52 -463.780140 2.0150 BFGS: 9910 16:54:52 -463.780224 2.0149 BFGS: 9911 16:54:52 -463.780308 2.0148 BFGS: 9912 16:54:52 -463.780392 2.0147 BFGS: 9913 16:54:52 -463.780476 2.0146 BFGS: 9914 16:54:52 -463.780560 2.0145 BFGS: 9915 16:54:52 -463.780643 2.0144 BFGS: 9916 16:54:52 -463.780727 2.0144 BFGS: 9917 16:54:53 -463.780811 2.0143 BFGS: 9918 16:54:53 -463.780895 2.0142 BFGS: 9919 16:54:53 -463.780979 2.0141 BFGS: 9920 16:54:53 -463.781062 2.0140 BFGS: 9921 16:54:53 -463.781146 2.0139 BFGS: 9922 16:54:53 -463.781230 2.0138 BFGS: 9923 16:54:53 -463.781314 2.0137 BFGS: 9924 16:54:53 -463.781397 2.0136 BFGS: 9925 16:54:53 -463.781481 2.0135 BFGS: 9926 16:54:53 -463.781565 2.0134 BFGS: 9927 16:54:53 -463.781649 2.0134 BFGS: 9928 16:54:53 -463.781733 2.0133 BFGS: 9929 16:54:53 -463.781816 2.0132 BFGS: 9930 16:54:53 -463.781900 2.0131 BFGS: 9931 16:54:53 -463.781984 2.0130 BFGS: 9932 16:54:53 -463.782068 2.0129 BFGS: 9933 16:54:53 -463.782151 2.0128 BFGS: 9934 16:54:53 -463.782235 2.0127 BFGS: 9935 16:54:53 -463.782319 2.0126 BFGS: 9936 16:54:53 -463.782402 2.0125 BFGS: 9937 16:54:53 -463.782486 2.0124 BFGS: 9938 16:54:54 -463.782570 2.0123 BFGS: 9939 16:54:54 -463.782654 2.0123 BFGS: 9940 16:54:54 -463.782737 2.0122 BFGS: 9941 16:54:54 -463.782821 2.0121 BFGS: 9942 16:54:54 -463.782905 2.0120 BFGS: 9943 16:54:54 -463.782988 2.0119 BFGS: 9944 16:54:54 -463.783072 2.0118 BFGS: 9945 16:54:54 -463.783156 2.0117 BFGS: 9946 16:54:54 -463.783240 2.0116 BFGS: 9947 16:54:54 -463.783323 2.0115 BFGS: 9948 16:54:54 -463.783407 2.0114 BFGS: 9949 16:54:54 -463.783491 2.0113 BFGS: 9950 16:54:54 -463.783574 2.0112 BFGS: 9951 16:54:54 -463.783658 2.0112 BFGS: 9952 16:54:54 -463.783742 2.0111 BFGS: 9953 16:54:54 -463.783825 2.0110 BFGS: 9954 16:54:54 -463.783909 2.0109 BFGS: 9955 16:54:54 -463.783993 2.0108 BFGS: 9956 16:54:54 -463.784076 2.0107 BFGS: 9957 16:54:54 -463.784160 2.0106 BFGS: 9958 16:54:54 -463.784244 2.0105 BFGS: 9959 16:54:54 -463.784327 2.0104 BFGS: 9960 16:54:55 -463.784411 2.0103 BFGS: 9961 16:54:55 -463.784494 2.0102 BFGS: 9962 16:54:55 -463.784578 2.0102 BFGS: 9963 16:54:55 -463.784662 2.0101 BFGS: 9964 16:54:55 -463.784745 2.0100 BFGS: 9965 16:54:55 -463.784829 2.0099 BFGS: 9966 16:54:55 -463.784913 2.0098 BFGS: 9967 16:54:55 -463.784996 2.0097 BFGS: 9968 16:54:55 -463.785080 2.0096 BFGS: 9969 16:54:55 -463.785163 2.0095 BFGS: 9970 16:54:55 -463.785247 2.0094 BFGS: 9971 16:54:55 -463.785331 2.0093 BFGS: 9972 16:54:55 -463.785414 2.0092 BFGS: 9973 16:54:55 -463.785498 2.0091 BFGS: 9974 16:54:55 -463.785581 2.0091 BFGS: 9975 16:54:55 -463.785665 2.0090 BFGS: 9976 16:54:55 -463.785748 2.0089 BFGS: 9977 16:54:55 -463.785832 2.0088 BFGS: 9978 16:54:55 -463.785916 2.0087 BFGS: 9979 16:54:55 -463.785999 2.0086 BFGS: 9980 16:54:55 -463.786083 2.0085 BFGS: 9981 16:54:56 -463.786166 2.0084 BFGS: 9982 16:54:56 -463.786250 2.0083 BFGS: 9983 16:54:56 -463.786333 2.0082 BFGS: 9984 16:54:56 -463.786417 2.0081 BFGS: 9985 16:54:56 -463.786501 2.0080 BFGS: 9986 16:54:56 -463.786584 2.0080 BFGS: 9987 16:54:56 -463.786668 2.0079 BFGS: 9988 16:54:56 -463.786751 2.0078 BFGS: 9989 16:54:56 -463.786835 2.0077 BFGS: 9990 16:54:56 -463.786918 2.0076 BFGS: 9991 16:54:56 -463.787002 2.0075 BFGS: 9992 16:54:56 -463.787085 2.0074 BFGS: 9993 16:54:56 -463.787169 2.0073 BFGS: 9994 16:54:56 -463.787252 2.0072 BFGS: 9995 16:54:56 -463.787336 2.0071 BFGS: 9996 16:54:56 -463.787419 2.0070 BFGS: 9997 16:54:56 -463.787503 2.0069 BFGS: 9998 16:54:56 -463.787586 2.0069 BFGS: 9999 16:54:56 -463.787670 2.0068 BFGS: 10000 16:54:56 -463.787753 2.0067 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 3.3951144016192503 eV/Angstrom Maximum stress component: 0.0329632763994613 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[0.00000000e+00 0.00000000e+00 9.66857509e-01] [0.00000000e+00 8.29048189e-24 6.78011203e-01] [0.00000000e+00 6.03240597e-24 5.81915057e-01] [2.70341670e-24 0.00000000e+00 7.75276986e-01] [0.00000000e+00 2.17463124e-24 8.70101041e-01] [2.12478325e-24 0.00000000e+00 4.84061491e-01] [3.29574898e-24 0.00000000e+00 3.24831048e-01] [0.00000000e+00 3.11910438e-24 2.27142419e-01] [0.00000000e+00 2.22190286e-24 6.52682441e-02] [3.33333333e-01 6.66666667e-01 6.64571218e-01] [3.33333333e-01 6.66666667e-01 8.82647979e-01] [3.33333333e-01 6.66666667e-01 9.80994157e-01] [3.33333333e-01 6.66666667e-01 2.12858731e-01] [3.33333333e-01 6.66666667e-01 3.11753522e-01] [3.33333333e-01 6.66666667e-01 4.11481288e-01] [3.33333333e-01 6.66666667e-01 7.60599614e-01] [3.33333333e-01 6.66666667e-01 5.09872455e-01] [6.66666667e-01 3.33333333e-01 6.91223974e-01] [6.66666667e-01 3.33333333e-01 9.55548397e-01] [6.66666667e-01 3.33333333e-01 1.41469863e-01] [6.66666667e-01 3.33333333e-01 2.39820730e-01] [6.66666667e-01 3.33333333e-01 8.56037602e-01] [6.66666667e-01 3.33333333e-01 3.37561020e-01] [6.66666667e-01 3.33333333e-01 4.96861024e-01] [0.00000000e+00 0.00000000e+00 2.75892320e-01] [0.00000000e+00 0.00000000e+00 1.76428327e-01] [0.00000000e+00 0.00000000e+00 4.32153444e-01] [0.00000000e+00 0.00000000e+00 1.51025122e-02] [0.00000000e+00 0.00000000e+00 9.18478094e-01] [0.00000000e+00 0.00000000e+00 5.32725477e-01] [0.00000000e+00 0.00000000e+00 6.29529433e-01] [0.00000000e+00 0.00000000e+00 7.27481965e-01] [0.00000000e+00 0.00000000e+00 8.22545511e-01] [3.33333333e-01 6.66666667e-01 8.34535398e-01] [3.33333333e-01 6.66666667e-01 9.33194053e-01] [3.33333333e-01 6.66666667e-01 7.11807193e-01] [3.33333333e-01 6.66666667e-01 1.60946563e-01] [3.33333333e-01 6.66666667e-01 6.07859547e-01] [3.33333333e-01 6.66666667e-01 2.60324872e-01] [3.33333333e-01 6.66666667e-01 4.62452225e-01] [3.33333333e-01 6.66666667e-01 3.61014201e-01] [6.66666667e-01 3.33333333e-01 2.90278372e-01] [6.66666667e-01 3.33333333e-01 4.46905344e-01] [6.66666667e-01 3.33333333e-01 1.92225588e-01] [6.66666667e-01 3.33333333e-01 6.43492464e-01] [6.66666667e-01 3.33333333e-01 9.02828018e-02] [6.66666667e-01 3.33333333e-01 9.03856938e-01] [6.66666667e-01 3.33333333e-01 7.97845318e-01]] cellpar = Cell([[3.4037560870153776, 2.2937939035135245e-17, 9.192566317024988e-17], [-1.7018780435076888, 2.9477392396412347, 1.7820347634517843e-14], [2.2943126361959012e-15, 4.2445424010784147e-13, 44.02218498202133]]) forces = [[-6.39112484e-17 -1.18237593e-14 -1.22629879e+00] [ 7.60278501e-17 1.40653644e-14 1.45878640e+00] [-1.59571445e-16 -2.95211626e-14 -3.06178137e+00] [-1.04927155e-17 -1.94118165e-15 -2.01329259e-01] [ 5.27744898e-17 9.76342789e-15 1.01261193e+00] [ 2.04057520e-18 3.77512106e-16 3.91535911e-02] [ 4.98049079e-17 9.21404695e-15 9.55633001e-01] [-1.76943827e-16 -3.27351017e-14 -3.39511440e+00] [ 2.98392496e-17 5.52034445e-15 5.72541399e-01] [-6.15633285e-17 -1.13893876e-14 -1.18124801e+00] [-1.89674665e-17 -3.50903424e-15 -3.63938771e-01] [ 1.45669221e-17 2.69492124e-15 2.79503207e-01] [ 6.14752765e-17 1.13730977e-14 1.17955851e+00] [ 3.09264040e-17 5.72147104e-15 5.93401202e-01] [-3.40813481e-18 -6.30514450e-16 -6.53936776e-02] [-1.52317368e-17 -2.81791381e-15 -2.92259357e-01] [-1.25706493e-17 -2.32560520e-15 -2.41199669e-01] [ 6.52202295e-18 1.20659245e-15 1.25141490e-01] [ 4.58536352e-17 8.48305048e-15 8.79817851e-01] [-2.37792114e-17 -4.39922047e-15 -4.56264254e-01] [ 7.82825866e-18 1.44824970e-15 1.50204922e-01] [ 3.61924820e-17 6.69571018e-15 6.94444216e-01] [ 1.75614740e-17 3.24892170e-15 3.36961252e-01] [ 3.62446081e-17 6.70535363e-15 6.95444385e-01] [ 7.48123717e-19 1.38404975e-16 1.43546438e-02] [ 2.89410499e-17 5.35417499e-15 5.55307168e-01] [-6.64157042e-17 -1.22870906e-14 -1.27435310e+00] [-1.03353029e-17 -1.91205987e-15 -1.98308900e-01] [-2.07930883e-18 -3.84677935e-16 -3.98967937e-02] [ 1.04175483e-19 1.92727550e-17 1.99886985e-03] [ 1.22213581e-16 2.26098535e-14 2.34497634e+00] [ 4.11599964e-17 7.61471419e-15 7.89758530e-01] [-3.60634736e-17 -6.67184326e-15 -6.91968863e-01] [-4.55101643e-18 -8.41950739e-16 -8.73227493e-02] [ 2.80022888e-17 5.18050158e-15 5.37294665e-01] [ 7.81398732e-18 1.44560946e-15 1.49931090e-01] [-5.89803025e-18 -1.09115206e-15 -1.13168613e-01] [-3.34678896e-17 -6.19165298e-15 -6.42166026e-01] [ 1.10683241e-16 2.04767084e-14 2.12373763e+00] [-2.17133233e-17 -4.01702541e-15 -4.16624972e-01] [ 1.18609037e-17 2.19430028e-15 2.27581406e-01] [-5.75972974e-17 -1.06556607e-14 -1.10514968e+00] [-7.27418213e-18 -1.34574399e-15 -1.39573564e-01] [-2.18419696e-17 -4.04082533e-15 -4.19093376e-01] [-4.65390746e-17 -8.60985867e-15 -8.92969736e-01] [ 1.97983240e-17 3.66274519e-15 3.79880871e-01] [ 3.22199839e-17 5.96078693e-15 6.18221802e-01] [-1.09874746e-17 -2.03271347e-15 -2.10822463e-01]] stress = [ 3.96144271e-03 3.96144271e-03 3.29632764e-02 -2.62328542e-16 4.10646694e-17 8.34168822e-19] energy per atom = -9.662244858315324 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] representative atom coordinates = [[0. 0. 0.11456021] [0. 0. 0.197918 ] [0. 0. 0.94791426] [0. 0. 0.36460256] [0. 0. 0.86455764] [0. 0. 0.48955902] [0. 0. 0.7395785 ] [0. 0. 0.57289498] [0. 0. 0.65622712] [0.33333333 0.66666667 0.69794089] [0.33333333 0.66666667 0.53127441] [0.33333333 0.66666667 0.82291637] [0.33333333 0.66666667 0.40624729] [0.33333333 0.66666667 0.32289336] [0.33333333 0.66666667 0.98955751] [0.33333333 0.66666667 0.23956045] [0.33333333 0.66666667 0.07291643] [0.66666667 0.33333333 0.90627195] [0.66666667 0.33333333 0.0312729 ] [0.66666667 0.33333333 0.15627556] [0.66666667 0.33333333 0.28127392] [0.66666667 0.33333333 0.44791724] [0.66666667 0.33333333 0.61460471] [0.66666667 0.33333333 0.78124864] [0. 0. 0.33333662] [0. 0. 0.16666837] [0. 0. 0.45833054] [0. 0. 0.08333016] [0. 0. 0.54166504] [0. 0. 0.62499641] [0. 0. 0.70833801] [0. 0. 0.83333197] [0. 0. 0.91667123] [0.33333333 0.66666667 0.66667129] [0.33333333 0.66666667 0.79167014] [0.33333333 0.66666667 0.49999956] [0.33333333 0.66666667 0.37500197] [0.33333333 0.66666667 0.95833105] [0.33333333 0.66666667 0.20832892] [0.33333333 0.66666667 0.04167131] [0.33333333 0.66666667 0.29166647] [0.66666667 0.33333333 0.58332714] [0.66666667 0.33333333 0.74999974] [0.66666667 0.33333333 0. ] [0.66666667 0.33333333 0.12500004] [0.66666667 0.33333333 0.87500222] [0.66666667 0.33333333 0.41667554] [0.66666667 0.33333333 0.24999992]] spacegroup = 156 cell = [[3.7982, 0, 0], [-1.8991, 3.2893376886541, 0], [0, 0, 74.5043]] ========================================= Step Time Energy fmax BFGS: 0 16:55:00 -139.423750 3.2448 BFGS: 1 16:55:00 -139.867006 3.2335 BFGS: 2 16:55:00 -140.343571 3.2211 BFGS: 3 16:55:00 -140.818417 3.2083 BFGS: 4 16:55:00 -141.291435 3.1952 BFGS: 5 16:55:00 -141.762518 3.1815 BFGS: 6 16:55:01 -142.231564 3.1674 BFGS: 7 16:55:01 -142.698468 3.1527 BFGS: 8 16:55:01 -143.163128 3.1375 BFGS: 9 16:55:01 -143.625442 3.1216 BFGS: 10 16:55:01 -144.085305 3.1051 BFGS: 11 16:55:01 -144.542616 3.0880 BFGS: 12 16:55:01 -144.997268 3.0701 BFGS: 13 16:55:01 -145.449156 3.0516 BFGS: 14 16:55:01 -145.898171 3.0324 BFGS: 15 16:55:01 -146.345159 3.0136 BFGS: 16 16:55:01 -146.792513 3.0092 BFGS: 17 16:55:01 -147.236044 2.9879 BFGS: 18 16:55:01 -147.676274 2.9657 BFGS: 19 16:55:01 -148.113240 2.9467 BFGS: 20 16:55:01 -148.546538 2.9234 BFGS: 21 16:55:01 -148.976133 2.8991 BFGS: 22 16:55:01 -149.401919 2.8739 BFGS: 23 16:55:01 -149.823778 2.8478 BFGS: 24 16:55:01 -150.241586 2.8207 BFGS: 25 16:55:01 -150.655215 2.7928 BFGS: 26 16:55:01 -151.064532 2.7639 BFGS: 27 16:55:01 -151.469398 2.7341 BFGS: 28 16:55:01 -151.869674 2.7033 BFGS: 29 16:55:01 -152.265217 2.6716 BFGS: 30 16:55:01 -152.655879 2.6389 BFGS: 31 16:55:02 -153.041512 2.6051 BFGS: 32 16:55:02 -153.421962 2.5704 BFGS: 33 16:55:02 -153.797074 2.5346 BFGS: 34 16:55:02 -154.166690 2.4977 BFGS: 35 16:55:02 -154.530647 2.4598 BFGS: 36 16:55:02 -154.888782 2.4207 BFGS: 37 16:55:02 -155.240933 2.3808 BFGS: 38 16:55:02 -155.586959 2.3397 BFGS: 39 16:55:02 -155.926648 2.2972 BFGS: 40 16:55:02 -156.259822 2.2535 BFGS: 41 16:55:02 -156.586302 2.2086 BFGS: 42 16:55:02 -156.905902 2.1624 BFGS: 43 16:55:02 -157.218434 2.1150 BFGS: 44 16:55:02 -157.523708 2.0663 BFGS: 45 16:55:02 -157.821529 2.0162 BFGS: 46 16:55:02 -158.111698 1.9649 BFGS: 47 16:55:02 -158.394013 1.9121 BFGS: 48 16:55:02 -158.668270 1.8580 BFGS: 49 16:55:02 -158.934261 1.8026 BFGS: 50 16:55:02 -159.191878 1.7473 BFGS: 51 16:55:02 -159.441016 1.6894 BFGS: 52 16:55:02 -159.681235 1.6296 BFGS: 53 16:55:02 -159.912311 1.5683 BFGS: 54 16:55:02 -160.134022 1.5054 BFGS: 55 16:55:02 -160.346139 1.4409 BFGS: 56 16:55:02 -160.548431 1.3748 BFGS: 57 16:55:02 -160.740659 1.3071 BFGS: 58 16:55:02 -160.922585 1.2378 BFGS: 59 16:55:02 -161.093967 1.1669 BFGS: 60 16:55:02 -161.254560 1.0942 BFGS: 61 16:55:03 -161.404115 1.0199 BFGS: 62 16:55:03 -161.542384 0.9439 BFGS: 63 16:55:03 -161.669117 0.8661 BFGS: 64 16:55:03 -161.784076 0.7868 BFGS: 65 16:55:03 -161.887075 0.7057 BFGS: 66 16:55:03 -161.977799 0.6227 BFGS: 67 16:55:03 -162.055991 0.5380 BFGS: 68 16:55:03 -162.121412 0.4515 BFGS: 69 16:55:03 -162.173835 0.3634 BFGS: 70 16:55:03 -162.213057 0.2737 BFGS: 71 16:55:03 -162.238912 0.1827 BFGS: 72 16:55:03 -162.251331 0.0909 BFGS: 73 16:55:03 -162.252622 0.0510 BFGS: 74 16:55:03 -162.252690 0.0510 BFGS: 75 16:55:03 -162.255329 0.0698 BFGS: 76 16:55:03 -162.264322 0.1118 BFGS: 77 16:55:03 -162.272239 0.1841 BFGS: 78 16:55:03 -162.281820 0.1840 BFGS: 79 16:55:03 -162.290682 0.1735 BFGS: 80 16:55:03 -162.305678 0.2099 BFGS: 81 16:55:03 -162.321798 0.2390 BFGS: 82 16:55:03 -162.340282 0.2687 BFGS: 83 16:55:03 -162.360972 0.2999 BFGS: 84 16:55:03 -162.383802 0.3290 BFGS: 85 16:55:03 -162.408916 0.3593 BFGS: 86 16:55:03 -162.436204 0.3895 BFGS: 87 16:55:03 -162.465716 0.4208 BFGS: 88 16:55:03 -162.497368 0.4509 BFGS: 89 16:55:04 -162.531290 0.4815 BFGS: 90 16:55:04 -162.567381 0.5121 BFGS: 91 16:55:04 -162.605667 0.5427 BFGS: 92 16:55:04 -162.646143 0.5738 BFGS: 93 16:55:04 -162.688768 0.6046 BFGS: 94 16:55:04 -162.733593 0.6359 BFGS: 95 16:55:04 -162.780572 0.6675 BFGS: 96 16:55:04 -162.829697 0.6988 BFGS: 97 16:55:04 -162.881008 0.7304 BFGS: 98 16:55:04 -162.934485 0.7621 BFGS: 99 16:55:04 -162.990128 0.7940 BFGS: 100 16:55:04 -163.047960 0.8262 BFGS: 101 16:55:04 -163.107950 0.8585 BFGS: 102 16:55:04 -163.170121 0.8910 BFGS: 103 16:55:04 -163.234458 0.9237 BFGS: 104 16:55:04 -163.300986 0.9567 BFGS: 105 16:55:04 -163.369678 0.9899 BFGS: 106 16:55:04 -163.440545 1.0232 BFGS: 107 16:55:04 -163.513612 1.0568 BFGS: 108 16:55:04 -163.588886 1.0906 BFGS: 109 16:55:04 -163.666400 1.1247 BFGS: 110 16:55:04 -163.746124 1.1590 BFGS: 111 16:55:04 -163.828113 1.1939 BFGS: 112 16:55:04 -163.912321 1.2288 BFGS: 113 16:55:04 -163.998873 1.2643 BFGS: 114 16:55:04 -164.087676 1.2996 BFGS: 115 16:55:04 -164.178876 1.3353 BFGS: 116 16:55:04 -164.272412 1.3713 BFGS: 117 16:55:04 -164.368323 1.4075 BFGS: 118 16:55:05 -164.466639 1.4441 BFGS: 119 16:55:05 -164.567400 1.4814 BFGS: 120 16:55:05 -164.670590 1.5186 BFGS: 121 16:55:05 -164.776431 1.5575 BFGS: 122 16:55:05 -164.884686 1.5956 BFGS: 123 16:55:05 -164.995769 1.6341 BFGS: 124 16:55:05 -165.109524 1.6729 BFGS: 125 16:55:05 -165.226070 1.7126 BFGS: 126 16:55:05 -165.345446 1.7527 BFGS: 127 16:55:05 -165.467785 1.7930 BFGS: 128 16:55:05 -165.593247 1.8339 BFGS: 129 16:55:05 -165.721920 1.8756 BFGS: 130 16:55:05 -165.853911 1.9177 BFGS: 131 16:55:05 -165.989506 1.9604 BFGS: 132 16:55:05 -166.128868 2.0038 BFGS: 133 16:55:05 -166.272288 2.0484 BFGS: 134 16:55:05 -166.420043 2.0945 BFGS: 135 16:55:05 -166.572554 2.1412 BFGS: 136 16:55:05 -166.730355 2.1890 BFGS: 137 16:55:05 -166.894040 2.2377 BFGS: 138 16:55:05 -167.064410 2.2884 BFGS: 139 16:55:05 -167.242569 2.3403 BFGS: 140 16:55:05 -167.429739 2.3943 BFGS: 141 16:55:05 -167.627784 2.4507 BFGS: 142 16:55:05 -167.839212 2.5102 BFGS: 143 16:55:05 -168.067639 2.5735 BFGS: 144 16:55:05 -168.318353 2.6417 BFGS: 145 16:55:06 -168.599386 2.7164 BFGS: 146 16:55:06 -168.923440 2.7998 BFGS: 147 16:55:06 -169.310956 2.8957 BFGS: 148 16:55:06 -169.796439 3.0068 BFGS: 149 16:55:06 -170.422387 3.1356 BFGS: 150 16:55:06 -171.059444 3.6101 BFGS: 151 16:55:06 -171.705949 4.1527 BFGS: 152 16:55:06 -172.283176 4.5684 BFGS: 153 16:55:06 -172.628795 4.7611 BFGS: 154 16:55:06 -173.004002 4.9430 BFGS: 155 16:55:06 -173.400890 5.0977 BFGS: 156 16:55:06 -173.815065 5.2107 BFGS: 157 16:55:06 -174.243328 5.2671 BFGS: 158 16:55:06 -174.683086 5.2517 BFGS: 159 16:55:06 -175.132410 5.1495 BFGS: 160 16:55:06 -175.590208 4.9492 BFGS: 161 16:55:06 -176.056948 4.6467 BFGS: 162 16:55:06 -176.534317 4.2503 BFGS: 163 16:55:06 -177.025743 3.8592 BFGS: 164 16:55:06 -177.534131 3.8585 BFGS: 165 16:55:06 -178.016785 3.8574 BFGS: 166 16:55:06 -178.469347 3.8575 BFGS: 167 16:55:06 -178.903955 3.8588 BFGS: 168 16:55:06 -179.328129 3.8624 BFGS: 169 16:55:06 -179.746527 3.8633 BFGS: 170 16:55:06 -180.161423 3.8630 BFGS: 171 16:55:06 -180.574144 3.8635 BFGS: 172 16:55:06 -180.984708 3.8596 BFGS: 173 16:55:07 -181.392941 3.8524 BFGS: 174 16:55:07 -181.798319 3.8424 BFGS: 175 16:55:07 -182.200195 3.8311 BFGS: 176 16:55:07 -182.597925 3.9333 BFGS: 177 16:55:07 -182.991115 4.1329 BFGS: 178 16:55:07 -183.379624 4.3239 BFGS: 179 16:55:07 -183.763589 4.5073 BFGS: 180 16:55:07 -184.143378 4.6835 BFGS: 181 16:55:07 -184.519470 4.8530 BFGS: 182 16:55:07 -184.892322 5.0165 BFGS: 183 16:55:07 -185.263229 5.1744 BFGS: 184 16:55:07 -185.632444 5.3162 BFGS: 185 16:55:07 -185.998984 5.4670 BFGS: 186 16:55:07 -186.363451 5.6100 BFGS: 187 16:55:07 -186.725951 5.7561 BFGS: 188 16:55:07 -187.086955 5.8879 BFGS: 189 16:55:07 -187.446258 6.0259 BFGS: 190 16:55:07 -187.804248 6.1484 BFGS: 191 16:55:07 -188.160588 6.2801 BFGS: 192 16:55:07 -188.515598 6.3927 BFGS: 193 16:55:07 -188.868918 6.5197 BFGS: 194 16:55:07 -189.221055 6.6199 BFGS: 195 16:55:07 -189.571372 6.7457 BFGS: 196 16:55:07 -189.920907 6.8306 BFGS: 197 16:55:07 -190.268362 6.9613 BFGS: 198 16:55:07 -190.615262 7.0200 BFGS: 199 16:55:07 -190.959640 7.1667 BFGS: 200 16:55:07 -191.303933 7.1948 BFGS: 201 16:55:07 -191.645470 7.3509 BFGS: 202 16:55:07 -191.987231 7.3696 BFGS: 203 16:55:08 -192.326605 7.5077 BFGS: 204 16:55:08 -192.666396 7.5417 BFGS: 205 16:55:08 -193.004356 7.6514 BFGS: 206 16:55:08 -193.342097 7.6980 BFGS: 207 16:55:08 -193.678650 7.7876 BFGS: 208 16:55:08 -194.014975 7.8400 BFGS: 209 16:55:08 -194.350819 7.9163 BFGS: 210 16:55:08 -194.686677 7.9710 BFGS: 211 16:55:08 -195.022074 8.0388 BFGS: 212 16:55:08 -195.357580 8.0921 BFGS: 213 16:55:08 -195.693210 8.1533 BFGS: 214 16:55:08 -196.029220 8.2077 BFGS: 215 16:55:08 -196.365757 8.2634 BFGS: 216 16:55:08 -196.702955 8.3482 BFGS: 217 16:55:08 -197.041025 8.4544 BFGS: 218 16:55:08 -197.380099 8.5588 BFGS: 219 16:55:08 -197.720182 8.6603 BFGS: 220 16:55:08 -198.061464 8.7601 BFGS: 221 16:55:08 -198.403782 8.8551 BFGS: 222 16:55:08 -198.747430 8.9494 BFGS: 223 16:55:08 -199.092439 9.0389 BFGS: 224 16:55:08 -199.438692 9.1267 BFGS: 225 16:55:08 -199.786139 9.2120 BFGS: 226 16:55:08 -200.134856 9.2934 BFGS: 227 16:55:08 -200.484768 9.3705 BFGS: 228 16:55:08 -200.835759 9.4457 BFGS: 229 16:55:08 -201.187573 9.5169 BFGS: 230 16:55:08 -201.540597 9.5867 BFGS: 231 16:55:09 -201.894333 9.6523 BFGS: 232 16:55:09 -202.248847 9.7167 BFGS: 233 16:55:09 -202.604056 9.7777 BFGS: 234 16:55:09 -202.959874 9.8379 BFGS: 235 16:55:09 -203.316230 9.8954 BFGS: 236 16:55:09 -203.672860 9.9520 BFGS: 237 16:55:09 -204.029826 10.0066 BFGS: 238 16:55:09 -204.386976 10.0605 BFGS: 239 16:55:09 -204.744115 10.1131 BFGS: 240 16:55:09 -205.101116 10.1649 BFGS: 241 16:55:09 -205.457880 10.2160 BFGS: 242 16:55:09 -205.814384 10.2682 BFGS: 243 16:55:09 -206.170353 10.3188 BFGS: 244 16:55:09 -206.525591 10.3722 BFGS: 245 16:55:09 -206.879932 10.4202 BFGS: 246 16:55:09 -207.233472 10.4741 BFGS: 247 16:55:09 -207.585980 10.5212 BFGS: 248 16:55:09 -207.937658 10.5767 BFGS: 249 16:55:09 -208.288142 10.6225 BFGS: 250 16:55:09 -208.637823 10.6806 BFGS: 251 16:55:09 -208.986484 10.7245 BFGS: 252 16:55:09 -209.334480 10.7868 BFGS: 253 16:55:09 -209.681285 10.8262 BFGS: 254 16:55:09 -210.027483 10.8998 BFGS: 255 16:55:09 -210.372976 10.9303 BFGS: 256 16:55:09 -210.718312 11.0133 BFGS: 257 16:55:09 -211.063071 11.0371 BFGS: 258 16:55:09 -211.407563 11.1246 BFGS: 259 16:55:10 -211.751620 11.1512 BFGS: 260 16:55:10 -212.095761 11.2344 BFGS: 261 16:55:10 -212.439775 11.2713 BFGS: 262 16:55:10 -212.783769 11.3427 BFGS: 263 16:55:10 -213.127965 11.3912 BFGS: 264 16:55:10 -213.472386 11.4562 BFGS: 265 16:55:10 -213.817018 11.5114 BFGS: 266 16:55:10 -214.161946 11.5739 BFGS: 267 16:55:10 -214.507264 11.6328 BFGS: 268 16:55:10 -214.852849 11.6942 BFGS: 269 16:55:10 -215.198801 11.7549 BFGS: 270 16:55:10 -215.545059 11.8167 BFGS: 271 16:55:10 -215.891625 11.8784 BFGS: 272 16:55:10 -216.238416 11.9407 BFGS: 273 16:55:10 -216.585856 12.0044 BFGS: 274 16:55:10 -216.933371 12.0680 BFGS: 275 16:55:10 -217.280847 12.1321 BFGS: 276 16:55:10 -217.628532 12.1971 BFGS: 277 16:55:10 -217.976549 12.2622 BFGS: 278 16:55:10 -218.325268 12.3267 BFGS: 279 16:55:10 -218.674579 12.3940 BFGS: 280 16:55:10 -219.024491 12.4611 BFGS: 281 16:55:10 -219.375295 12.5288 BFGS: 282 16:55:10 -219.726541 12.5958 BFGS: 283 16:55:10 -220.078880 12.6645 BFGS: 284 16:55:10 -220.431874 12.7333 BFGS: 285 16:55:10 -220.785956 12.8023 BFGS: 286 16:55:10 -221.140816 12.8702 BFGS: 287 16:55:11 -221.496884 12.9400 BFGS: 288 16:55:11 -221.854023 13.0103 BFGS: 289 16:55:11 -222.212031 13.0792 BFGS: 290 16:55:11 -222.571135 13.1594 BFGS: 291 16:55:11 -222.931191 13.2246 BFGS: 292 16:55:11 -223.292492 13.2946 BFGS: 293 16:55:11 -223.654965 13.3644 BFGS: 294 16:55:11 -224.018630 13.4402 BFGS: 295 16:55:11 -224.383520 13.5078 BFGS: 296 16:55:11 -224.749691 13.5869 BFGS: 297 16:55:11 -225.117178 13.6531 BFGS: 298 16:55:11 -225.486042 13.7366 BFGS: 299 16:55:11 -225.856075 13.8002 BFGS: 300 16:55:11 -226.227729 13.8915 BFGS: 301 16:55:11 -226.600292 13.9520 BFGS: 302 16:55:11 -226.974578 14.0519 BFGS: 303 16:55:11 -227.349990 14.1076 BFGS: 304 16:55:11 -227.727064 14.2152 BFGS: 305 16:55:11 -228.105495 14.2701 BFGS: 306 16:55:11 -228.486222 14.3793 BFGS: 307 16:55:11 -228.867758 14.4405 BFGS: 308 16:55:11 -229.251834 14.5524 BFGS: 309 16:55:11 -229.637020 14.6190 BFGS: 310 16:55:11 -230.024875 14.7325 BFGS: 311 16:55:11 -230.414227 14.8054 BFGS: 312 16:55:11 -230.806758 14.9190 BFGS: 313 16:55:11 -231.201094 14.9971 BFGS: 314 16:55:12 -231.598829 15.1099 BFGS: 315 16:55:12 -231.998619 15.1925 BFGS: 316 16:55:12 -232.402041 15.3052 BFGS: 317 16:55:12 -232.807891 15.3896 BFGS: 318 16:55:12 -233.217632 15.4995 BFGS: 319 16:55:12 -233.629989 15.5861 BFGS: 320 16:55:12 -234.045795 15.6908 BFGS: 321 16:55:12 -234.464409 15.7813 BFGS: 322 16:55:12 -234.887018 15.8791 BFGS: 323 16:55:12 -235.312492 15.9730 BFGS: 324 16:55:12 -235.741814 16.0637 BFGS: 325 16:55:12 -236.174807 16.1567 BFGS: 326 16:55:12 -236.611402 16.2455 BFGS: 327 16:55:12 -237.051454 16.3350 BFGS: 328 16:55:12 -237.495198 16.4186 BFGS: 329 16:55:12 -237.942924 16.5061 BFGS: 330 16:55:12 -238.394321 16.5871 BFGS: 331 16:55:12 -238.849887 16.6730 BFGS: 332 16:55:12 -239.308945 16.7526 BFGS: 333 16:55:12 -239.772464 16.8340 BFGS: 334 16:55:12 -240.239418 16.9163 BFGS: 335 16:55:12 -240.711010 16.9938 BFGS: 336 16:55:12 -241.185802 17.0804 BFGS: 337 16:55:12 -241.665875 17.1510 BFGS: 338 16:55:12 -242.148706 17.2444 BFGS: 339 16:55:12 -242.635967 17.3112 BFGS: 340 16:55:12 -243.125965 17.4106 BFGS: 341 16:55:13 -243.619725 17.4734 BFGS: 342 16:55:13 -244.116373 17.5772 BFGS: 343 16:55:13 -244.616879 17.6363 BFGS: 344 16:55:13 -245.120063 17.7458 BFGS: 345 16:55:13 -245.627266 17.7970 BFGS: 346 16:55:13 -246.137208 17.9141 BFGS: 347 16:55:13 -246.651156 17.9587 BFGS: 348 16:55:13 -247.167691 18.0800 BFGS: 349 16:55:13 -247.687777 18.1182 BFGS: 350 16:55:13 -248.210613 18.2425 BFGS: 351 16:55:13 -248.736923 18.2810 BFGS: 352 16:55:13 -249.266120 18.4035 BFGS: 353 16:55:13 -249.798718 18.4436 BFGS: 354 16:55:13 -250.334715 18.5589 BFGS: 355 16:55:13 -250.875075 18.6063 BFGS: 356 16:55:13 -251.419670 18.7085 BFGS: 357 16:55:13 -251.968725 18.7610 BFGS: 358 16:55:13 -252.522424 18.8535 BFGS: 359 16:55:13 -253.081385 18.9089 BFGS: 360 16:55:13 -253.645973 18.9908 BFGS: 361 16:55:13 -254.216114 19.0473 BFGS: 362 16:55:13 -254.792873 19.1204 BFGS: 363 16:55:13 -255.375794 19.1764 BFGS: 364 16:55:13 -255.966258 19.2416 BFGS: 365 16:55:13 -256.563368 19.2948 BFGS: 366 16:55:13 -257.169453 19.3501 BFGS: 367 16:55:14 -257.782038 19.4007 BFGS: 368 16:55:14 -258.405791 19.4462 BFGS: 369 16:55:14 -259.034576 19.4939 BFGS: 370 16:55:14 -259.675115 19.5323 BFGS: 371 16:55:14 -260.321556 19.5729 BFGS: 372 16:55:14 -260.980939 19.6044 BFGS: 373 16:55:14 -261.646500 19.6381 BFGS: 374 16:55:14 -262.324984 19.6660 BFGS: 375 16:55:14 -263.011112 19.6873 BFGS: 376 16:55:14 -263.709773 19.7141 BFGS: 377 16:55:14 -264.417491 19.9919 BFGS: 378 16:55:14 -265.137289 20.3394 BFGS: 379 16:55:14 -265.868041 20.6870 BFGS: 380 16:55:14 -266.609569 21.0374 BFGS: 381 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-393.717270 6.6772 BFGS: 692 16:55:27 -394.061254 6.5484 BFGS: 693 16:55:28 -394.399182 6.3992 BFGS: 694 16:55:28 -394.699505 6.2462 BFGS: 695 16:55:28 -394.967380 6.0911 BFGS: 696 16:55:28 -395.208828 5.9349 BFGS: 697 16:55:28 -395.429312 5.7774 BFGS: 698 16:55:28 -395.632599 5.6194 BFGS: 699 16:55:28 -395.822148 5.4617 BFGS: 700 16:55:28 -396.002626 5.3065 BFGS: 701 16:55:28 -396.171794 5.1496 BFGS: 702 16:55:28 -396.332388 4.9924 BFGS: 703 16:55:28 -396.486897 4.8367 BFGS: 704 16:55:28 -396.635081 4.6812 BFGS: 705 16:55:28 -396.778106 4.5262 BFGS: 706 16:55:28 -396.915890 4.3726 BFGS: 707 16:55:28 -397.049878 4.2206 BFGS: 708 16:55:28 -397.179718 4.0696 BFGS: 709 16:55:28 -397.305794 3.9199 BFGS: 710 16:55:28 -397.428394 3.7713 BFGS: 711 16:55:28 -397.547645 3.6237 BFGS: 712 16:55:28 -397.663726 3.4772 BFGS: 713 16:55:28 -397.776697 3.3323 BFGS: 714 16:55:28 -397.886443 3.1889 BFGS: 715 16:55:28 -397.993428 3.0461 BFGS: 716 16:55:29 -398.096903 2.9051 BFGS: 717 16:55:29 -398.197555 2.7646 BFGS: 718 16:55:29 -398.294497 2.6264 BFGS: 719 16:55:29 -398.388466 2.4885 BFGS: 720 16:55:29 -398.479134 2.3512 BFGS: 721 16:55:29 -398.566207 2.2148 BFGS: 722 16:55:29 -398.649470 2.0793 BFGS: 723 16:55:29 -398.728711 1.9446 BFGS: 724 16:55:29 -398.803720 1.8106 BFGS: 725 16:55:29 -398.874488 1.6773 BFGS: 726 16:55:29 -398.941093 1.5462 BFGS: 727 16:55:29 -399.002788 1.4223 BFGS: 728 16:55:29 -399.059597 1.3546 BFGS: 729 16:55:29 -399.111399 1.2857 BFGS: 730 16:55:29 -399.158230 1.2117 BFGS: 731 16:55:29 -399.200178 1.1335 BFGS: 732 16:55:29 -399.237428 1.0498 BFGS: 733 16:55:29 -399.270243 0.9939 BFGS: 734 16:55:29 -399.299470 1.0083 BFGS: 735 16:55:29 -399.325993 1.0212 BFGS: 736 16:55:29 -399.350309 1.0308 BFGS: 737 16:55:29 -399.373723 1.0422 BFGS: 738 16:55:29 -399.397291 1.0524 BFGS: 739 16:55:30 -399.422442 1.0609 BFGS: 740 16:55:30 -399.451566 1.1168 BFGS: 741 16:55:30 -399.477910 1.2210 BFGS: 742 16:55:30 -399.507020 1.2902 BFGS: 743 16:55:30 -399.528418 1.2901 BFGS: 744 16:55:30 -399.545965 1.2587 BFGS: 745 16:55:30 -399.562796 1.2114 BFGS: 746 16:55:30 -399.580042 1.1497 BFGS: 747 16:55:30 -399.598395 1.0770 BFGS: 748 16:55:30 -399.617884 0.9953 BFGS: 749 16:55:30 -399.639124 0.9028 BFGS: 750 16:55:30 -399.662259 0.9117 BFGS: 751 16:55:30 -399.687904 0.9484 BFGS: 752 16:55:30 -399.715654 0.9740 BFGS: 753 16:55:30 -399.745884 0.9892 BFGS: 754 16:55:30 -399.777220 0.9979 BFGS: 755 16:55:30 -399.812620 0.9956 BFGS: 756 16:55:30 -399.850559 1.0904 BFGS: 757 16:55:30 -399.889192 1.2462 BFGS: 758 16:55:30 -399.929904 1.3923 BFGS: 759 16:55:30 -399.972980 1.5341 BFGS: 760 16:55:30 -400.018881 1.6705 BFGS: 761 16:55:30 -400.067406 1.8057 BFGS: 762 16:55:30 -400.116794 1.9443 BFGS: 763 16:55:31 -400.168864 2.0871 BFGS: 764 16:55:31 -400.226285 2.2362 BFGS: 765 16:55:31 -400.286458 2.3840 BFGS: 766 16:55:31 -400.348085 2.5233 BFGS: 767 16:55:31 -400.412238 2.6585 BFGS: 768 16:55:31 -400.479999 2.7909 BFGS: 769 16:55:31 -400.552642 2.9298 BFGS: 770 16:55:31 -400.629893 3.0552 BFGS: 771 16:55:31 -400.715895 3.1887 BFGS: 772 16:55:31 -400.811064 3.3271 BFGS: 773 16:55:31 -400.916781 3.4722 BFGS: 774 16:55:31 -401.034640 3.6230 BFGS: 775 16:55:31 -401.166950 3.7844 BFGS: 776 16:55:31 -401.314626 3.9490 BFGS: 777 16:55:31 -401.480692 4.1224 BFGS: 778 16:55:31 -401.663916 4.3015 BFGS: 779 16:55:31 -401.866501 4.4870 BFGS: 780 16:55:31 -402.087671 4.6785 BFGS: 781 16:55:31 -402.327335 4.8681 BFGS: 782 16:55:31 -402.583200 5.0533 BFGS: 783 16:55:31 -402.857078 5.2334 BFGS: 784 16:55:31 -403.156910 5.4046 BFGS: 785 16:55:31 -403.479892 5.5264 BFGS: 786 16:55:31 -403.865372 5.6199 BFGS: 787 16:55:32 -404.255274 5.6332 BFGS: 788 16:55:32 -404.628939 5.5747 BFGS: 789 16:55:32 -404.994296 5.4422 BFGS: 790 16:55:32 -405.344933 5.2621 BFGS: 791 16:55:32 -405.677922 5.0663 BFGS: 792 16:55:32 -405.997022 4.8595 BFGS: 793 16:55:32 -406.286419 4.6698 BFGS: 794 16:55:32 -406.550588 4.5102 BFGS: 795 16:55:32 -406.796600 4.3450 BFGS: 796 16:55:32 -407.026802 4.2016 BFGS: 797 16:55:32 -407.244156 4.0374 BFGS: 798 16:55:32 -407.448243 3.8996 BFGS: 799 16:55:32 -407.641679 3.7284 BFGS: 800 16:55:32 -407.823438 3.5896 BFGS: 801 16:55:32 -407.995514 3.4191 BFGS: 802 16:55:32 -408.144744 3.2997 BFGS: 803 16:55:32 -408.292181 3.1330 BFGS: 804 16:55:32 -408.419055 3.0403 BFGS: 805 16:55:32 -408.544266 2.8796 BFGS: 806 16:55:32 -408.655316 2.8127 BFGS: 807 16:55:32 -408.766079 2.7442 BFGS: 808 16:55:32 -408.866705 2.6699 BFGS: 809 16:55:32 -408.967046 2.5855 BFGS: 810 16:55:32 -409.059378 2.4963 BFGS: 811 16:55:33 -409.151565 2.3970 BFGS: 812 16:55:33 -409.236622 2.2936 BFGS: 813 16:55:33 -409.320833 2.1820 BFGS: 814 16:55:33 -409.399590 2.0683 BFGS: 815 16:55:33 -409.477987 1.9465 BFGS: 816 16:55:33 -409.551101 1.8242 BFGS: 817 16:55:33 -409.624474 1.6941 BFGS: 818 16:55:33 -409.692892 1.5895 BFGS: 819 16:55:33 -409.760362 1.4615 BFGS: 820 16:55:33 -409.823397 1.3964 BFGS: 821 16:55:33 -409.886854 1.2589 BFGS: 822 16:55:33 -409.946094 1.2027 BFGS: 823 16:55:33 -410.006181 1.1546 BFGS: 824 16:55:33 -410.064066 1.1042 BFGS: 825 16:55:33 -410.124439 1.0570 BFGS: 826 16:55:33 -410.185011 1.0100 BFGS: 827 16:55:33 -410.267973 1.1657 BFGS: 828 16:55:33 -410.485529 1.8242 BFGS: 829 16:55:33 -410.742491 2.6528 BFGS: 830 16:55:33 -411.071656 3.4534 BFGS: 831 16:55:33 -411.445573 4.0157 BFGS: 832 16:55:33 -411.817971 4.2352 BFGS: 833 16:55:33 -412.144830 3.9923 BFGS: 834 16:55:33 -412.497446 3.6588 BFGS: 835 16:55:33 -412.779759 2.8205 BFGS: 836 16:55:34 -413.029477 1.9437 BFGS: 837 16:55:34 -413.221449 1.5787 BFGS: 838 16:55:34 -413.331520 1.4797 BFGS: 839 16:55:34 -413.413927 1.2650 BFGS: 840 16:55:34 -413.499733 1.2935 BFGS: 841 16:55:34 -413.553013 1.3004 BFGS: 842 16:55:34 -413.609708 1.2066 BFGS: 843 16:55:34 -413.658916 1.0286 BFGS: 844 16:55:34 -413.694533 0.9059 BFGS: 845 16:55:34 -413.723635 0.7749 BFGS: 846 16:55:34 -413.746820 0.6828 BFGS: 847 16:55:34 -413.765263 0.5559 BFGS: 848 16:55:34 -413.781888 0.5258 BFGS: 849 16:55:34 -413.797655 0.5562 BFGS: 850 16:55:34 -413.810448 0.4988 BFGS: 851 16:55:34 -413.821992 0.3608 BFGS: 852 16:55:34 -413.832336 0.3305 BFGS: 853 16:55:34 -413.840453 0.3438 BFGS: 854 16:55:34 -413.845773 0.2653 BFGS: 855 16:55:34 -413.848605 0.2022 BFGS: 856 16:55:34 -413.850158 0.1342 BFGS: 857 16:55:34 -413.851129 0.1049 BFGS: 858 16:55:34 -413.851902 0.1055 BFGS: 859 16:55:35 -413.852496 0.1179 BFGS: 860 16:55:35 -413.852866 0.1147 BFGS: 861 16:55:35 -413.853212 0.0957 BFGS: 862 16:55:35 -413.853408 0.1027 BFGS: 863 16:55:35 -413.853630 0.1149 BFGS: 864 16:55:35 -413.853817 0.1268 BFGS: 865 16:55:35 -413.854025 0.1391 BFGS: 866 16:55:35 -413.854292 0.1504 BFGS: 867 16:55:35 -413.854752 0.1618 BFGS: 868 16:55:35 -413.855536 0.1702 BFGS: 869 16:55:35 -413.856687 0.1900 BFGS: 870 16:55:35 -413.857846 0.1951 BFGS: 871 16:55:35 -413.858534 0.1563 BFGS: 872 16:55:35 -413.858821 0.1177 BFGS: 873 16:55:35 -413.858926 0.1150 BFGS: 874 16:55:35 -413.858992 0.1150 BFGS: 875 16:55:35 -413.859033 0.1151 BFGS: 876 16:55:35 -413.859063 0.1140 BFGS: 877 16:55:35 -413.859085 0.1112 BFGS: 878 16:55:35 -413.859101 0.1070 BFGS: 879 16:55:35 -413.859111 0.1028 BFGS: 880 16:55:35 -413.859117 0.0992 BFGS: 881 16:55:35 -413.859121 0.0968 BFGS: 882 16:55:36 -413.859124 0.0953 BFGS: 883 16:55:36 -413.859126 0.0963 BFGS: 884 16:55:36 -413.859127 0.0962 BFGS: 885 16:55:36 -413.859128 0.0951 BFGS: 886 16:55:36 -413.859129 0.0932 BFGS: 887 16:55:36 -413.859129 0.0921 BFGS: 888 16:55:36 -413.859130 0.0911 BFGS: 889 16:55:36 -413.859131 0.0898 BFGS: 890 16:55:36 -413.859132 0.0880 BFGS: 891 16:55:36 -413.859133 0.0861 BFGS: 892 16:55:36 -413.859134 0.0880 BFGS: 893 16:55:36 -413.859137 0.0921 BFGS: 894 16:55:36 -413.859141 0.0984 BFGS: 895 16:55:36 -413.859151 0.1078 BFGS: 896 16:55:36 -413.859172 0.1213 BFGS: 897 16:55:36 -413.859220 0.1402 BFGS: 898 16:55:36 -413.859333 0.1652 BFGS: 899 16:55:36 -413.859591 0.1931 BFGS: 900 16:55:36 -413.860121 0.2104 BFGS: 901 16:55:36 -413.860988 0.1878 BFGS: 902 16:55:36 -413.861907 0.1070 BFGS: 903 16:55:36 -413.862399 0.0644 BFGS: 904 16:55:36 -413.862527 0.0403 BFGS: 905 16:55:37 -413.862566 0.0243 BFGS: 906 16:55:37 -413.862583 0.0174 BFGS: 907 16:55:37 -413.862596 0.0184 BFGS: 908 16:55:37 -413.862601 0.0195 BFGS: 909 16:55:37 -413.862605 0.0199 BFGS: 910 16:55:37 -413.862606 0.0197 BFGS: 911 16:55:37 -413.862608 0.0206 BFGS: 912 16:55:37 -413.862608 0.0211 BFGS: 913 16:55:37 -413.862609 0.0217 BFGS: 914 16:55:37 -413.862609 0.0219 BFGS: 915 16:55:37 -413.862612 0.0220 BFGS: 916 16:55:37 -413.862616 0.0220 BFGS: 917 16:55:37 -413.862626 0.0235 BFGS: 918 16:55:37 -413.862647 0.0302 BFGS: 919 16:55:37 -413.862689 0.0354 BFGS: 920 16:55:37 -413.862752 0.0343 BFGS: 921 16:55:37 -413.862808 0.0237 BFGS: 922 16:55:37 -413.862830 0.0085 BFGS: 923 16:55:37 -413.862833 0.0015 BFGS: 924 16:55:37 -413.862833 0.0007 BFGS: 925 16:55:37 -413.862833 0.0002 BFGS: 926 16:55:37 -413.862833 0.0000 BFGS: 927 16:55:37 -413.862833 0.0000 BFGS: 928 16:55:38 -413.862833 0.0000 BFGS: 929 16:55:38 -413.862833 0.0000 BFGS: 930 16:55:38 -413.862833 0.0000 BFGS: 931 16:55:38 -413.862833 0.0000 BFGS: 932 16:55:38 -413.862833 0.0000 BFGS: 933 16:55:38 -413.862833 0.0000 BFGS: 934 16:55:38 -413.862833 0.0000 BFGS: 935 16:55:38 -413.862833 0.0000 BFGS: 936 16:55:38 -413.862833 0.0000 BFGS: 937 16:55:38 -413.862833 0.0000 BFGS: 938 16:55:38 -413.862833 0.0000 BFGS: 939 16:55:38 -413.862833 0.0000 Minimization converged after 939 steps. Maximum force component: 7.780804045827435e-09 eV/Angstrom Maximum stress component: 4.653510543986358e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn'] basis = [[8.96534190e-30 1.25125784e-29 5.04477556e-02] [0.00000000e+00 8.70440237e-30 1.27809889e-01] [8.27336861e-29 2.78540876e-28 9.00073807e-01] [0.00000000e+00 3.48176095e-29 4.58420142e-01] [0.00000000e+00 0.00000000e+00 8.26478928e-01] [0.00000000e+00 0.00000000e+00 5.35285028e-01] [1.63499087e-28 3.30767290e-28 7.56099983e-01] [1.64977729e-28 4.09106912e-28 6.08578170e-01] [0.00000000e+00 0.00000000e+00 6.83931598e-01] [3.33333333e-01 6.66666667e-01 7.04250552e-01] [3.33333333e-01 6.66666667e-01 5.94214618e-01] [3.33333333e-01 6.66666667e-01 8.08599579e-01] [3.33333333e-01 6.66666667e-01 5.15647954e-01] [3.33333333e-01 6.66666667e-01 4.41277197e-01] [3.33333333e-01 6.66666667e-01 9.47705043e-01] [3.33333333e-01 6.66666667e-01 3.63016599e-01] [3.33333333e-01 6.66666667e-01 2.97768763e-02] [6.66666667e-01 3.33333333e-01 8.85971106e-01] [6.66666667e-01 3.33333333e-01 9.62921601e-01] [6.66666667e-01 3.33333333e-01 3.82487916e-02] [6.66666667e-01 3.33333333e-01 1.12795749e-01] [6.66666667e-01 3.33333333e-01 5.25697206e-01] [6.66666667e-01 3.33333333e-01 6.94417733e-01] [6.66666667e-01 3.33333333e-01 7.79719954e-01] [0.00000000e+00 0.00000000e+00 4.20765802e-01] [0.00000000e+00 0.00000000e+00 9.06283839e-02] [0.00000000e+00 0.00000000e+00 4.98912435e-01] [8.41270839e-30 1.87688676e-29 1.33633794e-02] [0.00000000e+00 0.00000000e+00 5.72256951e-01] [3.42763887e-29 1.74088047e-28 6.46320694e-01] [5.63080050e-29 1.65383645e-28 7.19973040e-01] [0.00000000e+00 0.00000000e+00 7.91766964e-01] [1.26432867e-28 4.52628923e-28 8.63745615e-01] [3.33333333e-01 6.66666667e-01 6.66184045e-01] [3.33333333e-01 6.66666667e-01 7.67871538e-01] [3.33333333e-01 6.66666667e-01 5.53496205e-01] [3.33333333e-01 6.66666667e-01 4.77291667e-01] [3.33333333e-01 6.66666667e-01 9.10834256e-01] [3.33333333e-01 6.66666667e-01 3.24059361e-01] [3.33333333e-01 6.66666667e-01 9.84980233e-01] [3.33333333e-01 6.66666667e-01 4.01331612e-01] [6.66666667e-01 3.33333333e-01 6.25675547e-01] [6.66666667e-01 3.33333333e-01 7.37138997e-01] [6.66666667e-01 3.33333333e-01 9.25714254e-01] [6.66666667e-01 3.33333333e-01 7.49200692e-04] [6.66666667e-01 3.33333333e-01 8.44085871e-01] [6.66666667e-01 3.33333333e-01 4.87191125e-01] [6.66666667e-01 3.33333333e-01 7.42744278e-02]] cellpar = Cell([[3.3487353102736703, -1.326672605290567e-17, -4.489342542697268e-15], [-1.6743676551368352, 2.900089849246967, -1.621231456449954e-14], [-4.9664752099240194e-14, -2.8090050412035337e-13, 57.65554312414052]]) forces = [[-1.44120809e-24 -8.15174374e-24 1.67315612e-09] [-1.74838123e-24 -9.88863501e-24 2.02967000e-09] [-6.85973394e-25 -3.88128968e-24 7.96604511e-10] [-7.95827180e-25 -4.50102558e-24 9.23846952e-10] [ 2.93090681e-24 1.65766446e-23 -3.40240850e-09] [ 2.61834270e-24 1.48085151e-23 -3.03950544e-09] [ 3.62192799e-25 2.04853816e-24 -4.20467668e-10] [-1.42266124e-24 -8.04647647e-24 1.65155977e-09] [-1.13302042e-24 -6.40828743e-24 1.31531730e-09] [ 2.27688635e-24 1.28779163e-23 -2.64322509e-09] [ 8.89429338e-25 5.03128774e-24 -1.03266457e-09] [ 7.97079223e-25 4.50822658e-24 -9.25324975e-10] [ 1.01916344e-24 5.76432001e-24 -1.18314135e-09] [-1.97272939e-24 -1.11576549e-23 2.29013706e-09] [ 1.70434562e-24 9.63966441e-24 -1.97856565e-09] [ 4.05989671e-24 2.29625033e-23 -4.71311222e-09] [ 1.03670530e-24 5.86353557e-24 -1.20350559e-09] [ 3.21755368e-24 1.81980839e-23 -3.73520802e-09] [-2.82757325e-24 -1.59925645e-23 3.28251456e-09] [-1.58593949e-25 -8.96996728e-25 1.84110861e-10] [ 2.25093798e-24 1.27310622e-23 -2.61308541e-09] [-9.42407346e-26 -5.34170729e-25 1.09599831e-10] [ 1.12070141e-24 6.33861195e-24 -1.30101623e-09] [ 9.43085857e-25 5.33403030e-24 -1.09482329e-09] [ 1.62925702e-24 9.21498330e-24 -1.89139877e-09] [-1.66753694e-24 -9.43143105e-24 1.93582647e-09] [ 2.03784872e-24 1.15259156e-23 -2.36572351e-09] [-1.07449299e-24 -6.07726025e-24 1.24737313e-09] [-3.91751338e-24 -2.21573366e-23 4.54784471e-09] [-1.97336419e-24 -1.11613073e-23 2.29088422e-09] [ 1.09917627e-24 6.21686718e-24 -1.27602780e-09] [ 3.42397720e-25 1.93657852e-24 -3.97487669e-10] [-2.70844487e-24 -1.53187824e-23 3.14421906e-09] [-1.84149393e-24 -1.04153661e-23 2.13778039e-09] [-2.76621753e-24 -1.56455407e-23 3.21128703e-09] [ 7.12889272e-25 4.03205387e-24 -8.27589315e-10] [-9.71910350e-25 -5.49648397e-24 1.12818735e-09] [-3.46052652e-25 -1.95725057e-24 4.01730659e-10] [-1.57934267e-24 -8.93265612e-24 1.83345039e-09] [ 6.70242067e-24 3.79084414e-23 -7.78080405e-09] [-2.40757053e-24 -1.36171492e-23 2.79495201e-09] [ 3.28347745e-24 1.85711281e-23 -3.81177128e-09] [-2.04113535e-24 -1.15445245e-23 2.36954303e-09] [-5.75336926e-24 -3.25406704e-23 6.67905538e-09] [ 2.63765996e-25 1.49184277e-24 -3.06204524e-10] [-6.88860131e-25 -3.89614666e-24 7.99694015e-10] [-1.38335602e-24 -7.82453634e-24 1.60599597e-09] [ 2.10295456e-24 1.18941239e-23 -2.44130044e-09]] stress = [ 2.36102280e-11 2.36102280e-11 4.65351054e-11 4.26440966e-25 5.63123808e-26 -2.41132376e-27] energy per atom = -8.622142360118326 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 1 Parameter sets [2] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 2 Parameter sets [3] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 3 Parameter sets [4] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 4 Parameter sets [5] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 5 Parameter sets [6] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 6