element(s): ['Al', 'Si'] AFLOW prototype label: A4B19_aP46_1_8a_38a Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25', 'x26', 'y26', 'z26', 'x27', 'y27', 'z27', 'x28', 'y28', 'z28', 'x29', 'y29', 'z29', 'x30', 'y30', 'z30', 'x31', 'y31', 'z31', 'x32', 'y32', 'z32', 'x33', 'y33', 'z33', 'x34', 'y34', 'z34', 'x35', 'y35', 'z35', 'x36', 'y36', 'z36', 'x37', 'y37', 'z37', 'x38', 'y38', 'z38', 'x39', 'y39', 'z39', 'x40', 'y40', 'z40', 'x41', 'y41', 'z41', 'x42', 'y42', 'z42', 'x43', 'y43', 'z43', 'x44', 'y44', 'z44', 'x45', 'y45', 'z45', 'x46', 'y46', 'z46'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.6084', '0.97006146', '0.95127446', '95.7125', '92.4774', '90.4563', '0.50277435', '0.024073291', '0.77718269', '0.25063214', '0.49593196', '0.98895158', '0.98475109', '0.090129285', '0.29149967', '0.68723994', '0.9503155', '0.12191536', '0.87775369', '0.69965119', '0.95002963', '0.63432136', '0.53243144', '0.8235473', '0.50235783', '0.18207167', '0.3919171', '0.99915704', '0.73677181', '0.49123281', '0.11195535', '0.6838596', '0.95211182', '0.99724524', '0.84854921', '0.28321972', '0.8945612', '0.33151204', '0.016659791', '0.11551604', '0.30570976', '0.027824974', '0.71375129', '0.052402879', '0.90464191', '0.30458459', '0.012880447', '0.8927423', '0.29902284', '0.97935493', '0.12058144', '0.0030083762', '0.90901906', '0.68413577', '0.0070854377', '0.13982712', '0.69286987', '0.1912385', '0.37836231', '0.50641152', '0.60623479', '0.47585205', '0.20227448', '0.3830877', '0.46934841', '0.19486592', '0.39836733', '0.5331677', '0.81060806', '0.48917912', '0.79851622', '0.38239284', '0.4984218', '0.81894695', '0.620268', '0.50145962', '0.2069761', '0.63751649', '0.80310111', '0.61084848', '0.511289', '0.80586663', '0.377458', '0.4962645', '0.19472804', '0.6065315', '0.49016391', '0.68815747', '0.33107066', '0.68246423', '0.99719872', '0.25385835', '0.49744896', '0.49153559', '0.97314617', '0.2483807', '0.76020221', '0.51868967', '0.044330128', '0.17826496', '0.16576734', '0.1895582', '0.80702031', '0.75351561', '0.18636423', '0.82922616', '0.21723301', '0.81111174', '0.18186724', '0.83040682', '0.80105359', '0.66827942', '0.66718214', '0.33509062', '0.31477224', '0.30451602', '0.32494143', '0.68181303', '0.29449534', '0.30198275', '0.32292009', '0.69373997', '0.6751306', '0.82380966', '0.87123103', '0.80592561', '0.191697', '0.19958362', '0.82806881', '0.17995283', '0.78938524', '0.1633857', '0.81053813', '0.17557564', '0.148794', '0.31872222', '0.33224053', '0.69861783', '0.68699112', '0.71287603', '0.68779847', '0.30962916', '0.66498791', '0.30643397'] model name: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.50277435 0.02407329 0.77718269] [0.25063214 0.49593196 0.98895158] [0.98475109 0.09012929 0.29149967] [0.68723994 0.9503155 0.12191536] [0.87775369 0.69965119 0.95002963] [0.63432136 0.53243144 0.8235473 ] [0.50235783 0.18207167 0.3919171 ] [0.99915704 0.73677181 0.49123281] [0.11195535 0.6838596 0.95211182] [0.99724524 0.84854921 0.28321972] [0.8945612 0.33151204 0.01665979] [0.11551604 0.30570976 0.02782497] [0.71375129 0.05240288 0.90464191] [0.30458459 0.01288045 0.8927423 ] [0.29902284 0.97935493 0.12058144] [0.00300838 0.90901906 0.68413577] [0.00708544 0.13982712 0.69286987] [0.1912385 0.37836231 0.50641152] [0.60623479 0.47585205 0.20227448] [0.3830877 0.46934841 0.19486592] [0.39836733 0.5331677 0.81060806] [0.48917912 0.79851622 0.38239284] [0.4984218 0.81894695 0.620268 ] [0.50145962 0.2069761 0.63751649] [0.80310111 0.61084848 0.511289 ] [0.80586663 0.377458 0.4962645 ] [0.19472804 0.6065315 0.49016391] [0.68815747 0.33107066 0.68246423] [0.99719872 0.25385835 0.49744896] [0.49153559 0.97314617 0.2483807 ] [0.76020221 0.51868967 0.04433013] [0.17826496 0.16576734 0.1895582 ] [0.80702031 0.75351561 0.18636423] [0.82922616 0.21723301 0.81111174] [0.18186724 0.83040682 0.80105359] [0.66827942 0.66718214 0.33509062] [0.31477224 0.30451602 0.32494143] [0.68181303 0.29449534 0.30198275] [0.32292009 0.69373997 0.6751306 ] [0.82380966 0.87123103 0.80592561] [0.191697 0.19958362 0.82806881] [0.17995283 0.78938524 0.1633857 ] [0.81053813 0.17557564 0.148794 ] [0.31872222 0.33224053 0.69861783] [0.68699112 0.71287603 0.68779847] [0.30962916 0.66498791 0.30643397]] spacegroup = 1 cell = [[10.6084, 0, 0], [-0.08195442043434, 10.290473658339, 0], [-0.43620826627194, -1.0079818323569, 10.031553579784]] ========================================= Step Time Energy fmax BFGS: 0 15:33:01 -161.663402 4.220298 BFGS: 1 15:33:02 -164.411018 3.005859 BFGS: 2 15:33:02 -165.861932 2.151475 BFGS: 3 15:33:02 -166.828709 1.576491 BFGS: 4 15:33:02 -167.541305 1.409317 BFGS: 5 15:33:02 -168.052878 1.258270 BFGS: 6 15:33:02 -168.403325 1.134871 BFGS: 7 15:33:03 -168.669888 1.033752 BFGS: 8 15:33:03 -168.897465 0.949505 BFGS: 9 15:33:03 -169.108937 0.877184 BFGS: 10 15:33:03 -169.314106 0.812903 BFGS: 11 15:33:03 -169.516364 0.810769 BFGS: 12 15:33:03 -169.716304 0.817775 BFGS: 13 15:33:03 -169.913305 0.810837 BFGS: 14 15:33:03 -170.106271 0.793039 BFGS: 15 15:33:03 -170.293963 0.772503 BFGS: 16 15:33:03 -170.475151 0.749231 BFGS: 17 15:33:03 -170.648672 0.726250 BFGS: 18 15:33:03 -170.813479 0.697634 BFGS: 19 15:33:03 -170.968625 0.660174 BFGS: 20 15:33:03 -171.113225 0.613373 BFGS: 21 15:33:03 -171.246557 0.556734 BFGS: 22 15:33:03 -171.368051 0.489933 BFGS: 23 15:33:03 -171.477203 0.448913 BFGS: 24 15:33:04 -171.573590 0.412397 BFGS: 25 15:33:04 -171.654217 0.367143 BFGS: 26 15:33:04 -171.713649 0.745441 BFGS: 27 15:33:04 -171.795393 0.564842 BFGS: 28 15:33:04 -171.870565 0.535165 BFGS: 29 15:33:04 -171.922646 0.483455 BFGS: 30 15:33:04 -172.038314 0.424802 BFGS: 31 15:33:04 -172.099688 0.441790 BFGS: 32 15:33:04 -172.139535 0.411174 BFGS: 33 15:33:04 -172.180117 0.265181 BFGS: 34 15:33:04 -172.208613 0.426675 BFGS: 35 15:33:04 -172.246871 0.366406 BFGS: 36 15:33:04 -172.265719 0.360532 BFGS: 37 15:33:04 -172.285056 0.330153 BFGS: 38 15:33:04 -172.304569 0.293209 BFGS: 39 15:33:04 -172.317467 0.312801 BFGS: 40 15:33:04 -172.337118 0.324391 BFGS: 41 15:33:04 -172.356487 0.243618 BFGS: 42 15:33:04 -172.376647 0.230671 BFGS: 43 15:33:04 -172.393550 0.223327 BFGS: 44 15:33:04 -172.406730 0.230192 BFGS: 45 15:33:04 -172.420215 0.276383 BFGS: 46 15:33:04 -172.433292 0.224336 BFGS: 47 15:33:05 -172.445576 0.197076 BFGS: 48 15:33:05 -172.457237 0.194293 BFGS: 49 15:33:05 -172.468976 0.182904 BFGS: 50 15:33:05 -172.482206 0.220014 BFGS: 51 15:33:05 -172.496902 0.204035 BFGS: 52 15:33:05 -172.511148 0.247544 BFGS: 53 15:33:05 -172.524900 0.252385 BFGS: 54 15:33:05 -172.538100 0.256784 BFGS: 55 15:33:05 -172.530227 2.073190 BFGS: 56 15:33:05 -172.569697 0.300589 BFGS: 57 15:33:05 -172.582249 0.281169 BFGS: 58 15:33:05 -172.605918 0.391810 BFGS: 59 15:33:05 -172.629426 0.409876 BFGS: 60 15:33:05 -172.649355 0.420451 BFGS: 61 15:33:05 -172.669580 0.725345 BFGS: 62 15:33:05 -172.710677 1.249334 BFGS: 63 15:33:05 -172.757849 1.541294 BFGS: 64 15:33:05 -172.791966 1.002224 BFGS: 65 15:33:05 -172.804713 0.422660 BFGS: 66 15:33:05 -172.830014 0.364352 BFGS: 67 15:33:05 -172.865693 0.328666 BFGS: 68 15:33:05 -172.890986 0.210203 BFGS: 69 15:33:05 -172.909970 0.304192 BFGS: 70 15:33:06 -172.926732 0.313237 BFGS: 71 15:33:06 -172.943525 0.386479 BFGS: 72 15:33:06 -172.953486 1.280261 BFGS: 73 15:33:06 -172.969404 0.771741 BFGS: 74 15:33:06 -172.988275 0.259522 BFGS: 75 15:33:06 -173.007385 0.252617 BFGS: 76 15:33:06 -173.032807 0.303143 BFGS: 77 15:33:06 -173.054927 0.340755 BFGS: 78 15:33:06 -173.076329 0.364409 BFGS: 79 15:33:06 -173.100526 0.345545 BFGS: 80 15:33:06 -173.122402 0.288812 BFGS: 81 15:33:06 -173.142873 0.236094 BFGS: 82 15:33:06 -173.160873 0.253427 BFGS: 83 15:33:06 -173.178124 0.260634 BFGS: 84 15:33:06 -173.197470 0.260487 BFGS: 85 15:33:06 -173.216990 0.289662 BFGS: 86 15:33:06 -173.238456 0.296303 BFGS: 87 15:33:06 -173.260648 0.514158 BFGS: 88 15:33:06 -173.281334 0.470613 BFGS: 89 15:33:06 -173.304136 0.246694 BFGS: 90 15:33:06 -173.319907 0.253330 BFGS: 91 15:33:06 -173.337174 0.239305 BFGS: 92 15:33:06 -173.352822 0.256378 BFGS: 93 15:33:07 -173.370629 0.267891 BFGS: 94 15:33:07 -173.395778 0.291629 BFGS: 95 15:33:07 -173.422740 0.318747 BFGS: 96 15:33:07 -173.437128 0.277131 BFGS: 97 15:33:07 -173.461620 0.508209 BFGS: 98 15:33:07 -173.472669 0.232069 BFGS: 99 15:33:07 -173.484638 0.222500 BFGS: 100 15:33:07 -173.495240 0.208140 BFGS: 101 15:33:07 -173.506586 0.204717 BFGS: 102 15:33:07 -173.515623 0.264807 BFGS: 103 15:33:07 -173.525156 0.221244 BFGS: 104 15:33:07 -173.533256 0.167166 BFGS: 105 15:33:07 -173.543077 0.167177 BFGS: 106 15:33:07 -173.551099 0.126933 BFGS: 107 15:33:07 -173.557706 0.115845 BFGS: 108 15:33:07 -173.564049 0.120989 BFGS: 109 15:33:07 -173.569371 0.136620 BFGS: 110 15:33:07 -173.574656 0.112224 BFGS: 111 15:33:07 -173.579759 0.119472 BFGS: 112 15:33:07 -173.585005 0.125602 BFGS: 113 15:33:07 -173.590195 0.125853 BFGS: 114 15:33:07 -173.595041 0.115745 BFGS: 115 15:33:07 -173.618289 1.829219 BFGS: 116 15:33:07 -173.681586 3.016331 BFGS: 117 15:33:08 -173.728911 2.692842 BFGS: 118 15:33:08 -173.788850 1.902584 BFGS: 119 15:33:08 -173.880368 1.145793 BFGS: 120 15:33:08 -173.949678 0.740706 BFGS: 121 15:33:08 -173.990842 0.490304 BFGS: 122 15:33:08 -174.031231 0.715754 BFGS: 123 15:33:08 -174.056394 0.844244 BFGS: 124 15:33:08 -174.079807 0.873785 BFGS: 125 15:33:08 -174.109985 0.807898 BFGS: 126 15:33:08 -174.129191 0.667294 BFGS: 127 15:33:08 -174.148244 0.522252 BFGS: 128 15:33:08 -174.164826 0.430153 BFGS: 129 15:33:08 -174.179251 0.341376 BFGS: 130 15:33:08 -174.191349 0.313140 BFGS: 131 15:33:08 -174.200549 0.341898 BFGS: 132 15:33:08 -174.208194 0.330907 BFGS: 133 15:33:08 -174.216298 0.333099 BFGS: 134 15:33:08 -174.223685 0.299316 BFGS: 135 15:33:08 -174.232194 0.290518 BFGS: 136 15:33:08 -174.239561 0.250254 BFGS: 137 15:33:08 -174.249487 0.243717 BFGS: 138 15:33:08 -174.259943 0.243552 BFGS: 139 15:33:08 -174.270187 0.664957 BFGS: 140 15:33:09 -174.316907 1.620621 BFGS: 141 15:33:09 -174.487958 1.261554 BFGS: 142 15:33:09 -174.556344 1.412414 BFGS: 143 15:33:09 -174.620304 1.243105 BFGS: 144 15:33:09 -174.705841 1.308955 BFGS: 145 15:33:09 -174.752144 0.737648 BFGS: 146 15:33:09 -174.805581 0.690874 BFGS: 147 15:33:09 -174.848782 0.560564 BFGS: 148 15:33:09 -174.878610 0.501669 BFGS: 149 15:33:09 -174.897440 0.418900 BFGS: 150 15:33:09 -174.927288 0.414790 BFGS: 151 15:33:09 -174.951360 0.490541 BFGS: 152 15:33:09 -174.985632 0.528841 BFGS: 153 15:33:09 -175.013413 0.331313 BFGS: 154 15:33:09 -175.048018 0.636643 BFGS: 155 15:33:09 -175.061810 0.379990 BFGS: 156 15:33:09 -175.082518 0.249965 BFGS: 157 15:33:09 -175.096360 0.378173 BFGS: 158 15:33:09 -175.116254 0.282278 BFGS: 159 15:33:09 -175.126898 0.231927 BFGS: 160 15:33:09 -175.141174 0.227116 BFGS: 161 15:33:09 -175.151097 0.228461 BFGS: 162 15:33:09 -175.163297 0.201592 BFGS: 163 15:33:10 -175.172101 0.157798 BFGS: 164 15:33:10 -175.180087 0.181113 BFGS: 165 15:33:10 -175.186308 0.191527 BFGS: 166 15:33:10 -175.192523 0.349760 BFGS: 167 15:33:10 -175.198941 0.155652 BFGS: 168 15:33:10 -175.205650 0.154101 BFGS: 169 15:33:10 -175.212557 0.173162 BFGS: 170 15:33:10 -175.220206 0.142393 BFGS: 171 15:33:10 -175.228610 0.166402 BFGS: 172 15:33:10 -175.237222 0.180116 BFGS: 173 15:33:10 -175.244514 0.184870 BFGS: 174 15:33:10 -175.250329 0.118994 BFGS: 175 15:33:10 -175.255785 0.112861 BFGS: 176 15:33:10 -175.261897 0.127890 BFGS: 177 15:33:10 -175.269070 0.152001 BFGS: 178 15:33:10 -175.277351 0.164662 BFGS: 179 15:33:10 -175.285865 0.155639 BFGS: 180 15:33:10 -175.294170 0.134861 BFGS: 181 15:33:10 -175.301954 0.151211 BFGS: 182 15:33:10 -175.308289 0.147834 BFGS: 183 15:33:10 -175.314191 0.147441 BFGS: 184 15:33:10 -175.319293 0.144855 BFGS: 185 15:33:10 -175.324060 0.141791 BFGS: 186 15:33:11 -175.328544 0.135059 BFGS: 187 15:33:11 -175.332842 0.119962 BFGS: 188 15:33:11 -175.336750 0.111276 BFGS: 189 15:33:11 -175.340271 0.119036 BFGS: 190 15:33:11 -175.343443 0.115969 BFGS: 191 15:33:11 -175.346678 0.114408 BFGS: 192 15:33:11 -175.350052 0.097679 BFGS: 193 15:33:11 -175.353398 0.110509 BFGS: 194 15:33:11 -175.356573 0.117383 BFGS: 195 15:33:11 -175.359530 0.086876 BFGS: 196 15:33:11 -175.362229 0.081217 BFGS: 197 15:33:11 -175.364843 0.086064 BFGS: 198 15:33:11 -175.367604 0.081896 BFGS: 199 15:33:11 -175.370600 0.085223 BFGS: 200 15:33:11 -175.373565 0.084745 BFGS: 201 15:33:11 -175.376074 0.075847 BFGS: 202 15:33:11 -175.378025 0.080798 BFGS: 203 15:33:11 -175.379616 0.078886 BFGS: 204 15:33:11 -175.381056 0.076301 BFGS: 205 15:33:11 -175.382284 0.070947 BFGS: 206 15:33:11 -175.383198 0.065757 BFGS: 207 15:33:11 -175.383935 0.059573 BFGS: 208 15:33:12 -175.384685 0.072454 BFGS: 209 15:33:12 -175.385476 0.077907 BFGS: 210 15:33:12 -175.386257 0.070643 BFGS: 211 15:33:12 -175.391108 0.422436 BFGS: 212 15:33:12 -175.417416 0.665846 BFGS: 213 15:33:12 -175.439049 0.591318 BFGS: 214 15:33:12 -175.477746 0.418464 BFGS: 215 15:33:12 -175.496252 0.313982 BFGS: 216 15:33:12 -175.511038 0.243345 BFGS: 217 15:33:12 -175.530339 0.533908 BFGS: 218 15:33:12 -175.543429 0.639195 BFGS: 219 15:33:12 -175.566933 0.791289 BFGS: 220 15:33:12 -175.590076 0.796473 BFGS: 221 15:33:12 -175.609671 0.700678 BFGS: 222 15:33:12 -175.624974 0.549204 BFGS: 223 15:33:12 -175.637919 0.411568 BFGS: 224 15:33:12 -175.650857 0.410634 BFGS: 225 15:33:12 -175.676710 0.385119 BFGS: 226 15:33:12 -175.698524 0.292935 BFGS: 227 15:33:12 -175.713138 0.164929 BFGS: 228 15:33:12 -175.722409 0.147020 BFGS: 229 15:33:12 -175.729883 0.132999 BFGS: 230 15:33:12 -175.735753 0.135761 BFGS: 231 15:33:13 -175.739864 0.099158 BFGS: 232 15:33:13 -175.742640 0.112413 BFGS: 233 15:33:13 -175.744757 0.113762 BFGS: 234 15:33:13 -175.746373 0.109167 BFGS: 235 15:33:13 -175.747901 0.104146 BFGS: 236 15:33:13 -175.749578 0.109146 BFGS: 237 15:33:13 -175.751224 0.108527 BFGS: 238 15:33:13 -175.752613 0.115167 BFGS: 239 15:33:13 -175.753834 0.117827 BFGS: 240 15:33:13 -175.755081 0.115190 BFGS: 241 15:33:13 -175.756306 0.104724 BFGS: 242 15:33:13 -175.757420 0.102416 BFGS: 243 15:33:13 -175.758559 0.109639 BFGS: 244 15:33:13 -175.759955 0.117894 BFGS: 245 15:33:13 -175.761768 0.126857 BFGS: 246 15:33:13 -175.763740 0.132802 BFGS: 247 15:33:13 -175.765385 0.133150 BFGS: 248 15:33:13 -175.766668 0.128679 BFGS: 249 15:33:13 -175.767978 0.121946 BFGS: 250 15:33:13 -175.769494 0.113823 BFGS: 251 15:33:13 -175.771044 0.106935 BFGS: 252 15:33:13 -175.772467 0.102407 BFGS: 253 15:33:13 -175.773710 0.101017 BFGS: 254 15:33:14 -175.774911 0.101967 BFGS: 255 15:33:14 -175.776173 0.104329 BFGS: 256 15:33:14 -175.777426 0.105585 BFGS: 257 15:33:14 -175.778573 0.103943 BFGS: 258 15:33:14 -175.779669 0.099289 BFGS: 259 15:33:14 -175.780823 0.093262 BFGS: 260 15:33:14 -175.782073 0.088205 BFGS: 261 15:33:14 -175.783299 0.087495 BFGS: 262 15:33:14 -175.784344 0.089353 BFGS: 263 15:33:14 -175.785211 0.090641 BFGS: 264 15:33:14 -175.786034 0.088425 BFGS: 265 15:33:14 -175.786926 0.084765 BFGS: 266 15:33:14 -175.787914 0.082191 BFGS: 267 15:33:14 -175.789000 0.084113 BFGS: 268 15:33:14 -175.790344 0.089465 BFGS: 269 15:33:14 -175.792622 0.098592 BFGS: 270 15:33:14 -175.793763 0.137772 BFGS: 271 15:33:14 -175.795390 0.099123 BFGS: 272 15:33:14 -175.798297 0.091982 BFGS: 273 15:33:14 -175.799788 0.091592 BFGS: 274 15:33:14 -175.801155 0.091569 BFGS: 275 15:33:14 -175.802041 0.088543 BFGS: 276 15:33:14 -175.802888 0.086181 BFGS: 277 15:33:15 -175.803695 0.083761 BFGS: 278 15:33:15 -175.804509 0.084082 BFGS: 279 15:33:15 -175.805279 0.085873 BFGS: 280 15:33:15 -175.805802 0.087267 BFGS: 281 15:33:15 -175.806337 0.088055 BFGS: 282 15:33:15 -175.806823 0.087796 BFGS: 283 15:33:15 -175.807654 0.086698 BFGS: 284 15:33:15 -175.810869 0.319667 BFGS: 285 15:33:15 -175.873796 1.697905 BFGS: 286 15:33:15 -175.855198 0.632165 BFGS: 287 15:33:15 -175.899576 0.508514 BFGS: 288 15:33:15 -175.918182 0.218512 BFGS: 289 15:33:15 -175.926909 0.130978 BFGS: 290 15:33:15 -175.929465 0.120904 BFGS: 291 15:33:15 -175.931920 0.101711 BFGS: 292 15:33:15 -175.933350 0.087554 BFGS: 293 15:33:15 -175.934901 0.077560 BFGS: 294 15:33:15 -175.935941 0.066936 BFGS: 295 15:33:15 -175.936817 0.071322 BFGS: 296 15:33:15 -175.937578 0.075277 BFGS: 297 15:33:15 -175.938281 0.076692 BFGS: 298 15:33:15 -175.938846 0.073872 BFGS: 299 15:33:15 -175.939319 0.070185 BFGS: 300 15:33:16 -175.939825 0.068178 BFGS: 301 15:33:16 -175.940118 0.306519 BFGS: 302 15:33:16 -175.939047 0.104185 BFGS: 303 15:33:16 -175.941193 0.068331 BFGS: 304 15:33:16 -175.941581 0.067840 BFGS: 305 15:33:16 -175.942585 0.069597 BFGS: 306 15:33:16 -175.943405 0.070509 BFGS: 307 15:33:16 -175.943763 0.407685 BFGS: 308 15:33:16 -175.944808 0.083341 BFGS: 309 15:33:16 -175.945471 0.076218 BFGS: 310 15:33:16 -175.947301 0.067258 BFGS: 311 15:33:16 -175.948048 0.067380 BFGS: 312 15:33:16 -175.949023 0.067929 BFGS: 313 15:33:16 -175.949885 0.069226 BFGS: 314 15:33:16 -175.951074 0.068663 BFGS: 315 15:33:16 -175.952535 0.084009 BFGS: 316 15:33:16 -175.954608 0.101320 BFGS: 317 15:33:16 -175.957128 0.096067 BFGS: 318 15:33:16 -175.959439 0.212731 BFGS: 319 15:33:16 -175.961840 0.084702 BFGS: 320 15:33:16 -175.963165 0.087175 BFGS: 321 15:33:16 -175.965730 0.104502 BFGS: 322 15:33:16 -175.967196 0.082161 BFGS: 323 15:33:17 -175.969069 0.075400 BFGS: 324 15:33:17 -175.970520 0.071121 BFGS: 325 15:33:17 -175.972237 0.072471 BFGS: 326 15:33:17 -175.973913 0.067242 BFGS: 327 15:33:17 -175.975396 0.070569 BFGS: 328 15:33:17 -175.976446 0.063712 BFGS: 329 15:33:17 -175.977278 0.055218 BFGS: 330 15:33:17 -175.978139 0.056100 BFGS: 331 15:33:17 -175.979132 0.062205 BFGS: 332 15:33:17 -175.980198 0.064300 BFGS: 333 15:33:17 -175.981253 0.064331 BFGS: 334 15:33:17 -175.982288 0.062314 BFGS: 335 15:33:17 -175.983319 0.062006 BFGS: 336 15:33:17 -175.984373 0.055784 BFGS: 337 15:33:17 -175.985384 0.058320 BFGS: 338 15:33:17 -175.986391 0.062503 BFGS: 339 15:33:17 -175.987512 0.079607 BFGS: 340 15:33:17 -175.988897 0.090861 BFGS: 341 15:33:17 -175.990780 0.075287 BFGS: 342 15:33:17 -175.994362 0.137272 BFGS: 343 15:33:17 -176.026996 2.255482 BFGS: 344 15:33:17 -176.042196 2.641206 BFGS: 345 15:33:17 -176.083401 2.908939 BFGS: 346 15:33:18 -176.125916 2.841523 BFGS: 347 15:33:18 -176.156946 2.515430 BFGS: 348 15:33:18 -176.185000 2.200708 BFGS: 349 15:33:18 -176.222559 1.875987 BFGS: 350 15:33:18 -176.351501 1.173627 BFGS: 351 15:33:18 -176.430434 0.763645 BFGS: 352 15:33:18 -176.474956 0.524791 BFGS: 353 15:33:18 -176.512498 0.472870 BFGS: 354 15:33:18 -176.539887 0.589803 BFGS: 355 15:33:18 -176.567281 0.661879 BFGS: 356 15:33:18 -176.594143 0.523504 BFGS: 357 15:33:18 -176.610214 0.284421 BFGS: 358 15:33:18 -176.620170 0.159753 BFGS: 359 15:33:18 -176.628012 0.171064 BFGS: 360 15:33:18 -176.635161 0.141393 BFGS: 361 15:33:18 -176.641967 0.173810 BFGS: 362 15:33:18 -176.648607 0.150064 BFGS: 363 15:33:18 -176.654943 0.162044 BFGS: 364 15:33:18 -176.660516 0.155049 BFGS: 365 15:33:18 -176.664749 0.134691 BFGS: 366 15:33:18 -176.667677 0.121491 BFGS: 367 15:33:18 -176.669892 0.119754 BFGS: 368 15:33:19 -176.671950 0.097599 BFGS: 369 15:33:19 -176.673580 0.355964 BFGS: 370 15:33:19 -176.674863 0.083543 BFGS: 371 15:33:19 -176.676117 0.075901 BFGS: 372 15:33:19 -176.677942 0.439492 BFGS: 373 15:33:19 -176.679014 0.048622 BFGS: 374 15:33:19 -176.680163 0.104167 BFGS: 375 15:33:19 -176.681681 0.113015 BFGS: 376 15:33:19 -176.682427 0.113623 BFGS: 377 15:33:19 -176.683102 0.110212 BFGS: 378 15:33:19 -176.683715 0.111747 BFGS: 379 15:33:19 -176.684286 0.114307 BFGS: 380 15:33:19 -176.684674 0.238403 BFGS: 381 15:33:19 -176.685012 0.117288 BFGS: 382 15:33:19 -176.685540 0.025803 BFGS: 383 15:33:19 -176.685785 0.032342 BFGS: 384 15:33:19 -176.686209 0.034211 BFGS: 385 15:33:19 -176.686479 0.029261 BFGS: 386 15:33:19 -176.686702 0.026275 BFGS: 387 15:33:19 -176.686913 0.023550 BFGS: 388 15:33:19 -176.687189 0.027895 BFGS: 389 15:33:19 -176.687481 0.027382 BFGS: 390 15:33:19 -176.687743 0.026636 BFGS: 391 15:33:20 -176.687962 0.024097 BFGS: 392 15:33:20 -176.688180 0.030289 BFGS: 393 15:33:20 -176.688418 0.036142 BFGS: 394 15:33:20 -176.688654 0.038460 BFGS: 395 15:33:20 -176.688865 0.037958 BFGS: 396 15:33:20 -176.689068 0.036065 BFGS: 397 15:33:20 -176.689289 0.032143 BFGS: 398 15:33:20 -176.689518 0.029408 BFGS: 399 15:33:20 -176.689733 0.030637 BFGS: 400 15:33:20 -176.689941 0.032725 BFGS: 401 15:33:20 -176.690186 0.035795 BFGS: 402 15:33:20 -176.690526 0.039180 BFGS: 403 15:33:20 -176.691050 0.063672 BFGS: 404 15:33:20 -176.691573 0.082856 BFGS: 405 15:33:20 -176.692116 0.097074 BFGS: 406 15:33:20 -176.692696 0.107808 BFGS: 407 15:33:20 -176.693398 0.114330 BFGS: 408 15:33:20 -176.694473 0.111566 BFGS: 409 15:33:20 -176.696293 0.080286 BFGS: 410 15:33:20 -176.698025 0.079596 BFGS: 411 15:33:20 -176.700034 0.092996 BFGS: 412 15:33:20 -176.702456 0.075296 BFGS: 413 15:33:20 -176.704440 0.063471 BFGS: 414 15:33:21 -176.706450 0.064898 BFGS: 415 15:33:21 -176.707715 0.059759 BFGS: 416 15:33:21 -176.709662 0.059390 BFGS: 417 15:33:21 -176.711298 0.068739 BFGS: 418 15:33:21 -176.713056 0.065291 BFGS: 419 15:33:21 -176.714678 0.065307 BFGS: 420 15:33:21 -176.715952 0.205237 BFGS: 421 15:33:21 -176.713778 0.478153 BFGS: 422 15:33:21 -176.717439 0.057008 BFGS: 423 15:33:21 -176.718177 0.047637 BFGS: 424 15:33:21 -176.720572 0.055454 BFGS: 425 15:33:21 -176.721825 0.046531 BFGS: 426 15:33:21 -176.721092 0.737208 BFGS: 427 15:33:21 -176.722889 0.096161 BFGS: 428 15:33:21 -176.723355 0.039087 BFGS: 429 15:33:21 -176.723608 0.039464 BFGS: 430 15:33:21 -176.724736 0.052400 BFGS: 431 15:33:21 -176.725207 0.054186 BFGS: 432 15:33:21 -176.724091 0.808382 BFGS: 433 15:33:21 -176.726308 0.128214 BFGS: 434 15:33:21 -176.726671 0.033764 BFGS: 435 15:33:21 -176.727162 0.040755 BFGS: 436 15:33:22 -176.727534 0.045952 BFGS: 437 15:33:22 -176.728017 0.047863 BFGS: 438 15:33:22 -176.728471 0.046286 BFGS: 439 15:33:22 -176.728960 0.053107 BFGS: 440 15:33:22 -176.729487 0.057321 BFGS: 441 15:33:22 -176.730164 0.055410 BFGS: 442 15:33:22 -176.731201 0.130307 BFGS: 443 15:33:22 -176.733188 0.384951 BFGS: 444 15:33:22 -176.740899 1.068988 BFGS: 445 15:33:22 -176.741652 2.244933 BFGS: 446 15:33:22 -176.748129 1.746202 BFGS: 447 15:33:22 -176.749397 1.850631 BFGS: 448 15:33:22 -176.752708 2.070150 BFGS: 449 15:33:22 -176.756267 2.086498 BFGS: 450 15:33:22 -176.766007 1.929097 BFGS: 451 15:33:22 -176.777426 1.392656 BFGS: 452 15:33:22 -176.787843 0.764033 BFGS: 453 15:33:22 -176.799402 0.372886 BFGS: 454 15:33:22 -176.810433 0.315968 BFGS: 455 15:33:22 -176.821107 0.285072 BFGS: 456 15:33:23 -176.831257 0.370138 BFGS: 457 15:33:23 -176.840666 0.427573 BFGS: 458 15:33:23 -176.847429 0.423933 BFGS: 459 15:33:23 -176.850433 0.309137 BFGS: 460 15:33:23 -176.852669 0.115744 BFGS: 461 15:33:23 -176.854201 0.067522 BFGS: 462 15:33:23 -176.856245 0.087219 BFGS: 463 15:33:23 -176.858421 0.094224 BFGS: 464 15:33:23 -176.865749 0.466652 BFGS: 465 15:33:23 -176.883588 0.687056 BFGS: 466 15:33:23 -176.897852 0.636765 BFGS: 467 15:33:23 -176.904762 0.678674 BFGS: 468 15:33:23 -176.902450 0.761683 BFGS: 469 15:33:23 -176.922372 0.659899 BFGS: 470 15:33:23 -176.951945 0.592284 BFGS: 471 15:33:23 -176.983867 0.560734 BFGS: 472 15:33:23 -177.014328 0.619656 BFGS: 473 15:33:23 -177.033906 0.325753 BFGS: 474 15:33:23 -177.055838 0.733553 BFGS: 475 15:33:23 -177.064379 0.118263 BFGS: 476 15:33:24 -177.068451 0.108427 BFGS: 477 15:33:24 -177.075485 0.106173 BFGS: 478 15:33:24 -177.079023 0.110506 BFGS: 479 15:33:24 -177.084715 0.106307 BFGS: 480 15:33:24 -177.089261 0.126061 BFGS: 481 15:33:24 -177.092809 0.088212 BFGS: 482 15:33:24 -177.095111 0.083231 BFGS: 483 15:33:24 -177.096451 0.087424 BFGS: 484 15:33:24 -177.097555 0.089636 BFGS: 485 15:33:24 -177.098765 0.090095 BFGS: 486 15:33:24 -177.099806 0.080751 BFGS: 487 15:33:24 -177.100616 0.092362 BFGS: 488 15:33:24 -177.101281 0.160106 BFGS: 489 15:33:24 -177.102051 0.047902 BFGS: 490 15:33:24 -177.102683 0.093321 BFGS: 491 15:33:24 -177.103481 0.059960 BFGS: 492 15:33:24 -177.104103 0.053260 BFGS: 493 15:33:24 -177.104808 0.060064 BFGS: 494 15:33:24 -177.105560 0.064384 BFGS: 495 15:33:24 -177.106317 0.057755 BFGS: 496 15:33:25 -177.106929 0.053102 BFGS: 497 15:33:25 -177.107387 0.048529 BFGS: 498 15:33:25 -177.107712 0.050473 BFGS: 499 15:33:25 -177.107976 0.052982 BFGS: 500 15:33:25 -177.108237 0.053332 BFGS: 501 15:33:25 -177.108543 0.050583 BFGS: 502 15:33:25 -177.108906 0.045257 BFGS: 503 15:33:25 -177.109301 0.041080 BFGS: 504 15:33:25 -177.109685 0.044348 BFGS: 505 15:33:25 -177.110037 0.039863 BFGS: 506 15:33:25 -177.110363 0.052591 BFGS: 507 15:33:25 -177.110667 0.055182 BFGS: 508 15:33:25 -177.110955 0.046372 BFGS: 509 15:33:25 -177.111239 0.035962 BFGS: 510 15:33:25 -177.111539 0.037760 BFGS: 511 15:33:25 -177.111866 0.042790 BFGS: 512 15:33:25 -177.112200 0.035739 BFGS: 513 15:33:25 -177.112502 0.034383 BFGS: 514 15:33:25 -177.112764 0.043967 BFGS: 515 15:33:25 -177.113029 0.055278 BFGS: 516 15:33:25 -177.113352 0.059211 BFGS: 517 15:33:25 -177.113748 0.051630 BFGS: 518 15:33:26 -177.114144 0.043709 BFGS: 519 15:33:26 -177.114341 0.073658 BFGS: 520 15:33:26 -177.114322 0.063826 BFGS: 521 15:33:26 -177.114632 0.035957 BFGS: 522 15:33:26 -177.114760 0.033695 BFGS: 523 15:33:26 -177.114998 0.037846 BFGS: 524 15:33:26 -177.115179 0.040706 BFGS: 525 15:33:26 -177.115488 0.042881 BFGS: 526 15:33:26 -177.115645 0.042450 BFGS: 527 15:33:26 -177.116145 0.050164 BFGS: 528 15:33:26 -177.116290 0.050467 BFGS: 529 15:33:26 -177.116456 0.047418 BFGS: 530 15:33:26 -177.116554 0.042066 BFGS: 531 15:33:26 -177.116633 0.040024 BFGS: 532 15:33:26 -177.116820 0.039328 BFGS: 533 15:33:26 -177.116888 0.038685 BFGS: 534 15:33:26 -177.117005 0.038927 BFGS: 535 15:33:26 -177.117070 0.040936 BFGS: 536 15:33:26 -177.117161 0.043454 BFGS: 537 15:33:26 -177.117251 0.044277 BFGS: 538 15:33:26 -177.117352 0.043397 BFGS: 539 15:33:26 -177.117441 0.040214 BFGS: 540 15:33:26 -177.117520 0.035779 BFGS: 541 15:33:27 -177.117589 0.031205 BFGS: 542 15:33:27 -177.117655 0.034093 BFGS: 543 15:33:27 -177.117724 0.034306 BFGS: 544 15:33:27 -177.117794 0.032040 BFGS: 545 15:33:27 -177.117858 0.028137 BFGS: 546 15:33:27 -177.117909 0.026452 BFGS: 547 15:33:27 -177.117950 0.026328 BFGS: 548 15:33:27 -177.117992 0.025626 BFGS: 549 15:33:27 -177.118039 0.026340 BFGS: 550 15:33:27 -177.118088 0.027120 BFGS: 551 15:33:27 -177.118133 0.027114 BFGS: 552 15:33:27 -177.118175 0.026190 BFGS: 553 15:33:27 -177.118220 0.024139 BFGS: 554 15:33:27 -177.118271 0.024983 BFGS: 555 15:33:27 -177.118321 0.024757 BFGS: 556 15:33:27 -177.118360 0.023030 BFGS: 557 15:33:27 -177.118387 0.020711 BFGS: 558 15:33:27 -177.118408 0.020526 BFGS: 559 15:33:27 -177.118431 0.022431 BFGS: 560 15:33:27 -177.118458 0.023820 BFGS: 561 15:33:27 -177.118489 0.024100 BFGS: 562 15:33:27 -177.118519 0.023743 BFGS: 563 15:33:28 -177.118543 0.023497 BFGS: 564 15:33:28 -177.118561 0.023858 BFGS: 565 15:33:28 -177.118575 0.024926 BFGS: 566 15:33:28 -177.118591 0.027038 BFGS: 567 15:33:28 -177.118612 0.030284 BFGS: 568 15:33:28 -177.118641 0.034103 BFGS: 569 15:33:28 -177.118681 0.036464 BFGS: 570 15:33:28 -177.118727 0.034559 BFGS: 571 15:33:28 -177.118765 0.028345 BFGS: 572 15:33:28 -177.118790 0.022209 BFGS: 573 15:33:28 -177.118809 0.018729 BFGS: 574 15:33:28 -177.118834 0.019229 BFGS: 575 15:33:28 -177.118875 0.021161 BFGS: 576 15:33:28 -177.118939 0.022223 BFGS: 577 15:33:28 -177.119021 0.023169 BFGS: 578 15:33:28 -177.119093 0.027989 BFGS: 579 15:33:28 -177.119140 0.029650 BFGS: 580 15:33:28 -177.119174 0.027902 BFGS: 581 15:33:28 -177.119210 0.023898 BFGS: 582 15:33:28 -177.119255 0.018787 BFGS: 583 15:33:28 -177.119307 0.021882 BFGS: 584 15:33:28 -177.119366 0.024637 BFGS: 585 15:33:29 -177.119440 0.023551 BFGS: 586 15:33:29 -177.119537 0.020544 BFGS: 587 15:33:29 -177.119651 0.022157 BFGS: 588 15:33:29 -177.119747 0.020907 BFGS: 589 15:33:29 -177.119802 0.021208 BFGS: 590 15:33:29 -177.119833 0.019273 BFGS: 591 15:33:29 -177.119864 0.016770 BFGS: 592 15:33:29 -177.119912 0.016987 BFGS: 593 15:33:29 -177.119983 0.018720 BFGS: 594 15:33:29 -177.120073 0.017824 BFGS: 595 15:33:29 -177.120159 0.015285 BFGS: 596 15:33:29 -177.120213 0.013733 BFGS: 597 15:33:29 -177.120240 0.013208 BFGS: 598 15:33:29 -177.120255 0.011926 BFGS: 599 15:33:29 -177.120272 0.010100 BFGS: 600 15:33:29 -177.120299 0.009683 BFGS: 601 15:33:29 -177.120347 0.010155 BFGS: 602 15:33:29 -177.120417 0.013101 BFGS: 603 15:33:29 -177.120485 0.011449 BFGS: 604 15:33:29 -177.120520 0.009165 BFGS: 605 15:33:29 -177.120533 0.009085 BFGS: 606 15:33:30 -177.120541 0.009084 BFGS: 607 15:33:30 -177.120555 0.009106 BFGS: 608 15:33:30 -177.120579 0.009126 BFGS: 609 15:33:30 -177.120619 0.010044 BFGS: 610 15:33:30 -177.120664 0.011183 BFGS: 611 15:33:30 -177.120696 0.009487 BFGS: 612 15:33:30 -177.120710 0.009227 BFGS: 613 15:33:30 -177.120719 0.010064 BFGS: 614 15:33:30 -177.120732 0.010652 BFGS: 615 15:33:30 -177.120755 0.011885 BFGS: 616 15:33:30 -177.120797 0.013464 BFGS: 617 15:33:30 -177.120852 0.015491 BFGS: 618 15:33:30 -177.120895 0.008595 BFGS: 619 15:33:30 -177.120845 0.168142 BFGS: 620 15:33:30 -177.120910 0.008582 BFGS: 621 15:33:30 -177.120924 0.007520 BFGS: 622 15:33:30 -177.120930 0.007581 BFGS: 623 15:33:30 -177.120939 0.039940 BFGS: 624 15:33:30 -177.120947 0.029044 BFGS: 625 15:33:30 -177.120984 0.011991 BFGS: 626 15:33:30 -177.120998 0.012367 BFGS: 627 15:33:31 -177.121012 0.011364 BFGS: 628 15:33:31 -177.121016 0.010685 BFGS: 629 15:33:31 -177.121019 0.010244 BFGS: 630 15:33:31 -177.121023 0.009987 BFGS: 631 15:33:31 -177.121031 0.009780 BFGS: 632 15:33:31 -177.121041 0.024824 BFGS: 633 15:33:31 -177.121052 0.030561 BFGS: 634 15:33:31 -177.121068 0.011943 BFGS: 635 15:33:31 -177.121071 0.011858 BFGS: 636 15:33:31 -177.121075 0.011381 BFGS: 637 15:33:31 -177.121079 0.010936 BFGS: 638 15:33:31 -177.121089 0.010289 BFGS: 639 15:33:31 -177.121101 0.009740 BFGS: 640 15:33:31 -177.121112 0.009357 BFGS: 641 15:33:31 -177.121119 0.009621 BFGS: 642 15:33:31 -177.121121 0.010082 BFGS: 643 15:33:31 -177.121124 0.010463 BFGS: 644 15:33:31 -177.121128 0.010874 BFGS: 645 15:33:32 -177.121137 0.011235 BFGS: 646 15:33:32 -177.121152 0.013494 BFGS: 647 15:33:32 -177.121169 0.014085 BFGS: 648 15:33:32 -177.121182 0.011319 BFGS: 649 15:33:32 -177.121189 0.011312 BFGS: 650 15:33:32 -177.121196 0.011216 BFGS: 651 15:33:32 -177.121206 0.010972 BFGS: 652 15:33:32 -177.121225 0.014642 BFGS: 653 15:33:32 -177.121251 0.016174 BFGS: 654 15:33:32 -177.121274 0.012122 BFGS: 655 15:33:32 -177.121286 0.009304 BFGS: 656 15:33:32 -177.121291 0.009885 BFGS: 657 15:33:32 -177.121296 0.009882 BFGS: 658 15:33:32 -177.121305 0.009349 BFGS: 659 15:33:32 -177.121320 0.010458 BFGS: 660 15:33:32 -177.121344 0.012163 BFGS: 661 15:33:32 -177.121368 0.009620 BFGS: 662 15:33:32 -177.121381 0.006661 BFGS: 663 15:33:32 -177.121386 0.007030 BFGS: 664 15:33:33 -177.121390 0.007390 BFGS: 665 15:33:33 -177.121398 0.009991 BFGS: 666 15:33:33 -177.121415 0.013610 BFGS: 667 15:33:33 -177.121441 0.016378 BFGS: 668 15:33:33 -177.121469 0.014389 BFGS: 669 15:33:33 -177.121482 0.009906 BFGS: 670 15:33:33 -177.121486 0.009650 BFGS: 671 15:33:33 -177.121487 0.009415 BFGS: 672 15:33:33 -177.121489 0.009108 BFGS: 673 15:33:33 -177.121493 0.009783 BFGS: 674 15:33:33 -177.121499 0.011876 BFGS: 675 15:33:33 -177.121505 0.010139 BFGS: 676 15:33:33 -177.121508 0.009455 BFGS: 677 15:33:33 -177.121509 0.009556 BFGS: 678 15:33:33 -177.121509 0.009536 BFGS: 679 15:33:33 -177.121510 0.009472 BFGS: 680 15:33:33 -177.121510 0.009365 BFGS: 681 15:33:33 -177.121512 0.009178 BFGS: 682 15:33:34 -177.121514 0.008966 BFGS: 683 15:33:34 -177.121516 0.008868 BFGS: 684 15:33:34 -177.121518 0.008978 BFGS: 685 15:33:34 -177.121519 0.009159 BFGS: 686 15:33:34 -177.121519 0.009352 BFGS: 687 15:33:34 -177.121521 0.009657 BFGS: 688 15:33:34 -177.121525 0.010124 BFGS: 689 15:33:34 -177.121533 0.010746 BFGS: 690 15:33:34 -177.121545 0.011230 BFGS: 691 15:33:34 -177.121557 0.011098 BFGS: 692 15:33:34 -177.121563 0.010531 BFGS: 693 15:33:34 -177.121565 0.010110 BFGS: 694 15:33:34 -177.121568 0.009756 BFGS: 695 15:33:34 -177.121574 0.009254 BFGS: 696 15:33:34 -177.121587 0.008573 BFGS: 697 15:33:34 -177.121614 0.011635 BFGS: 698 15:33:34 -177.121654 0.014154 BFGS: 699 15:33:34 -177.121689 0.010633 BFGS: 700 15:33:35 -177.121705 0.007502 BFGS: 701 15:33:35 -177.121710 0.007749 BFGS: 702 15:33:35 -177.121717 0.007894 BFGS: 703 15:33:35 -177.121730 0.010986 BFGS: 704 15:33:35 -177.121753 0.016487 BFGS: 705 15:33:35 -177.121783 0.017438 BFGS: 706 15:33:35 -177.121806 0.010739 BFGS: 707 15:33:35 -177.121813 0.003421 BFGS: 708 15:33:35 -177.121815 0.002852 BFGS: 709 15:33:35 -177.121817 0.003327 BFGS: 710 15:33:35 -177.121820 0.005463 BFGS: 711 15:33:35 -177.121826 0.007576 BFGS: 712 15:33:35 -177.121835 0.007656 BFGS: 713 15:33:35 -177.121842 0.004497 BFGS: 714 15:33:35 -177.121844 0.001404 BFGS: 715 15:33:35 -177.121845 0.000555 BFGS: 716 15:33:35 -177.121845 0.000532 BFGS: 717 15:33:35 -177.121845 0.000507 BFGS: 718 15:33:35 -177.121845 0.000588 BFGS: 719 15:33:35 -177.121845 0.000626 BFGS: 720 15:33:35 -177.121845 0.000578 BFGS: 721 15:33:36 -177.121845 0.000288 BFGS: 722 15:33:36 -177.121845 0.000147 BFGS: 723 15:33:36 -177.121845 0.000148 BFGS: 724 15:33:36 -177.121845 0.000146 BFGS: 725 15:33:36 -177.121845 0.000138 BFGS: 726 15:33:36 -177.121845 0.000149 BFGS: 727 15:33:36 -177.121845 0.000136 BFGS: 728 15:33:36 -177.121845 0.000065 BFGS: 729 15:33:36 -177.121845 0.000017 BFGS: 730 15:33:36 -177.121845 0.000005 BFGS: 731 15:33:36 -177.121845 0.000002 BFGS: 732 15:33:36 -177.121845 0.000001 BFGS: 733 15:33:36 -177.121845 0.000000 BFGS: 734 15:33:36 -177.121845 0.000000 BFGS: 735 15:33:36 -177.121845 0.000000 BFGS: 736 15:33:36 -177.121845 0.000000 BFGS: 737 15:33:36 -177.121845 0.000000 Minimization converged after 737 steps. Maximum force component: 7.171467863997808e-09 eV/Angstrom Maximum stress component: 1.1457217387867435e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.57342369 0.95885644 0.77469748] [0.1700396 0.49467945 0.91993388] [0.99966455 0.02555437 0.37105765] [0.67816515 0.94104597 0.07183039] [0.89479489 0.62081979 0.8588833 ] [0.60223588 0.65476846 0.80397091] [0.50969405 0.07614173 0.47821242] [0.94774141 0.78819524 0.47335653] [0.09510032 0.73666861 0.94356305] [0.86965519 0.85964938 0.23163311] [0.88263185 0.31732514 0.07524736] [0.13415467 0.31958459 0.09063456] [0.73871372 0.09782162 0.89809962] [0.35055983 0.00643019 0.92333906] [0.24946015 0.99375532 0.14487371] [0.03336513 0.96416625 0.64108376] [0.05172206 0.17276001 0.71917575] [0.23666707 0.40032066 0.53536329] [0.57269147 0.42475722 0.19375778] [0.32252245 0.46342072 0.1666444 ] [0.40200884 0.54152114 0.84678753] [0.46664095 0.75019722 0.34449365] [0.50595595 0.8214718 0.57236726] [0.58290543 0.21349868 0.69309345] [0.84579918 0.57880048 0.42823442] [0.80356311 0.37466261 0.49186451] [0.16326587 0.62104548 0.51400705] [0.68563232 0.40662416 0.7150584 ] [0.04556153 0.28378338 0.508536 ] [0.48200046 0.95308306 0.24346464] [0.69718947 0.47530081 0.99028508] [0.15704035 0.18502907 0.28349655] [0.74466775 0.69768962 0.06923305] [0.85561806 0.25919322 0.83696808] [0.20724268 0.87002155 0.8023345 ] [0.65519523 0.61192042 0.26722962] [0.3607299 0.29589105 0.34010702] [0.64867382 0.25436314 0.35314189] [0.33095326 0.70632261 0.66644573] [0.89135432 0.88469164 0.82155658] [0.22847394 0.21385142 0.87635986] [0.12185224 0.82267623 0.16961038] [0.80595655 0.13363898 0.17114945] [0.35928644 0.33846467 0.74535754] [0.77482253 0.72854764 0.63778167] [0.26460673 0.66098875 0.29567809]] cellpar = Cell([[9.962105284338014, 0.8190393986518365, 0.15427207896950007], [0.7207618985379225, 10.876675797225486, 0.6412163312267041], [-0.4042089969256812, -0.6739164826223333, 9.810524767827197]]) forces = [[-5.69597813e-10 -7.15284949e-10 -1.22684657e-09] [ 4.21541274e-10 -3.26800038e-09 -2.35650583e-09] [ 2.30395231e-10 1.30847239e-09 -4.03453160e-10] [ 1.96425765e-10 -1.43270590e-10 -1.74812492e-09] [-2.39051556e-10 9.21383414e-10 -3.59489702e-10] [-1.03706238e-09 -1.02399766e-09 -1.95688188e-09] [-5.50848075e-10 4.97833663e-10 -9.03753392e-10] [-4.70083156e-10 -3.53679169e-11 1.19546002e-10] [ 2.02859969e-09 1.28914034e-09 -1.91871176e-09] [-1.99802924e-10 -1.23347202e-09 -4.06394557e-10] [-3.68337477e-09 7.78438841e-10 -6.86995183e-10] [ 1.55051549e-09 -2.92595294e-09 1.72959080e-09] [-2.34968767e-10 6.94620805e-10 1.10987639e-09] [ 6.82822798e-10 -2.72276285e-09 5.98926214e-10] [ 2.84257108e-09 -1.63593576e-09 2.16332730e-10] [-2.67109837e-09 -7.09037093e-10 -2.57793566e-09] [-9.67194602e-10 7.30671579e-10 2.02638728e-09] [ 2.60984012e-10 -1.83580151e-10 -7.59840066e-10] [ 3.83149057e-09 -1.22789195e-09 1.03314857e-09] [-3.38476178e-09 1.37500272e-09 2.81134171e-10] [ 4.72166298e-09 5.54788560e-09 -5.79931103e-11] [ 2.01067354e-10 -1.43560516e-09 -5.07110309e-10] [ 2.32814973e-09 1.13807566e-09 2.88848667e-10] [ 8.47515114e-10 1.26231237e-09 7.24560995e-10] [-3.25092703e-10 1.75994322e-09 -8.00082889e-10] [-3.77127329e-10 5.43809830e-10 1.83778212e-09] [-1.42867151e-09 6.61855931e-10 2.97662605e-09] [-1.60334077e-09 -8.59958623e-10 -6.62466026e-10] [-4.47758775e-10 -9.80985293e-10 5.22844656e-10] [-3.52213265e-09 1.33031963e-09 -1.08373260e-09] [ 1.40765472e-09 -1.56578750e-10 7.79636078e-10] [ 2.67699529e-10 1.83748283e-09 -1.28335575e-09] [ 1.43175760e-09 1.47725265e-09 7.21916305e-10] [ 1.96001665e-09 -1.58964480e-10 1.02154446e-09] [ 4.57905142e-09 -7.17146786e-09 2.81591808e-09] [ 3.58817587e-10 -1.42914744e-09 1.71901515e-09] [ 8.34880276e-10 -5.92808150e-10 -5.57166001e-10] [-1.79204837e-09 8.11604006e-10 -1.94054151e-09] [-4.61440136e-09 2.14014609e-09 2.33179180e-09] [ 5.37815701e-10 -2.75014906e-10 -2.20018983e-09] [-2.36167916e-09 3.81910420e-09 -5.91846128e-10] [ 1.15420007e-10 1.82819643e-09 2.03985784e-09] [ 1.00446348e-09 3.68603682e-10 -3.79484361e-10] [-3.63987847e-09 -1.72136436e-09 3.16487744e-09] [-7.08325320e-10 -1.98468067e-10 1.14681326e-09] [ 2.18698268e-09 -1.31723882e-09 -3.83807380e-09]] stress = [-9.02615812e-12 7.64762916e-12 -4.61453894e-12 2.75878672e-12 -1.14572174e-11 -6.26496594e-12] energy per atom = -3.850474899561854 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0