element(s): ['C', 'Si'] AFLOW prototype label: AB_hP36_156_8a5b5c_8a5b5c 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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.0939', '14.727528', '0.097173129', '0.20828436', '0.31939456', '0.43050707', '0.54161674', '0.65272563', '0.76389665', '0.98607212', '0.94439838', '0.722225', '0.61108751', '0.49997312', '0.38885955', '0.27774817', '0.16663876', '0.055529197', '0.87509158', '0.041760924', '0.26398337', '0.48620572', '0.70842417', '0.22220372', '0.44442599', '0.99998379', '0.66665165', '0.83331663', '0.59731516', '0.81940175', '0.37509487', '0.15287279', '0.93056624', '0.11109456', '0.33331393', '0.55554072', '0.77773395', '0.88888856'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0.09717313] [0. 0. 0.20828436] [0. 0. 0.31939456] [0. 0. 0.43050707] [0. 0. 0.54161674] [0. 0. 0.65272563] [0. 0. 0.76389665] [0. 0. 0.98607212] [0.33333333 0.66666667 0.87509158] [0.33333333 0.66666667 0.04176092] [0.33333333 0.66666667 0.26398337] [0.33333333 0.66666667 0.48620572] [0.33333333 0.66666667 0.70842417] [0.66666667 0.33333333 0.59731516] [0.66666667 0.33333333 0.81940175] [0.66666667 0.33333333 0.37509487] [0.66666667 0.33333333 0.15287279] [0.66666667 0.33333333 0.93056624] [0. 0. 0.94439838] [0. 0. 0.722225 ] [0. 0. 0.61108751] [0. 0. 0.49997312] [0. 0. 0.38885955] [0. 0. 0.27774817] [0. 0. 0.16663876] [0. 0. 0.0555292 ] [0.33333333 0.66666667 0.22220372] [0.33333333 0.66666667 0.44442599] [0.33333333 0.66666667 0.99998379] [0.33333333 0.66666667 0.66665165] [0.33333333 0.66666667 0.83331663] [0.66666667 0.33333333 0.11109456] [0.66666667 0.33333333 0.33331393] [0.66666667 0.33333333 0.55554072] [0.66666667 0.33333333 0.77773395] [0.66666667 0.33333333 0.88888856]] spacegroup = 156 cell = [[3.0939, 0, 0], [-1.54695, 2.6793959967687, 0], [0, 0, 45.5655]] ========================================= Step Time Energy fmax BFGS: 0 15:34:24 -485.016903 12.2007 BFGS: 1 15:34:24 -486.755736 11.9019 BFGS: 2 15:34:24 -488.491556 11.7946 BFGS: 3 15:34:24 -490.190083 11.6063 BFGS: 4 15:34:24 -491.872515 11.4623 BFGS: 5 15:34:24 -493.521243 11.2709 BFGS: 6 15:34:24 -495.148519 11.1061 BFGS: 7 15:34:24 -496.743523 10.9314 BFGS: 8 15:34:24 -498.307180 10.7681 BFGS: 9 15:34:24 -499.835420 10.5557 BFGS: 10 15:34:24 -501.335033 10.3537 BFGS: 11 15:34:24 -502.801453 10.1430 BFGS: 12 15:34:24 -504.232684 9.9089 BFGS: 13 15:34:25 -505.632019 9.6908 BFGS: 14 15:34:25 -506.992519 9.4455 BFGS: 15 15:34:25 -508.316555 9.1963 BFGS: 16 15:34:25 -509.603542 8.9532 BFGS: 17 15:34:25 -510.847609 8.6741 BFGS: 18 15:34:25 -512.053352 8.4139 BFGS: 19 15:34:25 -513.215823 8.1358 BFGS: 20 15:34:25 -514.333314 7.8285 BFGS: 21 15:34:25 -515.408927 7.5531 BFGS: 22 15:34:25 -516.435563 7.2373 BFGS: 23 15:34:25 -517.415281 6.9030 BFGS: 24 15:34:25 -518.348891 6.6096 BFGS: 25 15:34:25 -519.228349 6.2578 BFGS: 26 15:34:25 -520.062919 5.9143 BFGS: 27 15:34:25 -520.855126 5.6083 BFGS: 28 15:34:25 -521.587637 5.2025 BFGS: 29 15:34:25 -522.267092 4.8180 BFGS: 30 15:34:25 -522.893117 4.4995 BFGS: 31 15:34:25 -523.455361 4.0603 BFGS: 32 15:34:26 -523.961558 3.6447 BFGS: 33 15:34:26 -524.415154 3.3144 BFGS: 34 15:34:26 -524.801057 2.8451 BFGS: 35 15:34:26 -525.120876 2.4112 BFGS: 36 15:34:26 -525.387407 2.0437 BFGS: 37 15:34:26 -525.590433 1.6005 BFGS: 38 15:34:26 -525.726292 1.1100 BFGS: 39 15:34:26 -525.814434 0.7058 BFGS: 40 15:34:26 -525.822900 1.4182 BFGS: 41 15:34:26 -525.812960 1.6944 BFGS: 42 15:34:26 -525.844231 0.6472 BFGS: 43 15:34:26 -525.841791 0.8965 BFGS: 44 15:34:26 -525.846694 0.9350 BFGS: 45 15:34:26 -525.854695 0.7122 BFGS: 46 15:34:26 -525.852514 0.9696 BFGS: 47 15:34:26 -525.873534 0.5103 BFGS: 48 15:34:26 -525.899326 0.8386 BFGS: 49 15:34:27 -525.936419 1.3946 BFGS: 50 15:34:27 -525.972946 2.0264 BFGS: 51 15:34:27 -526.005847 2.5710 BFGS: 52 15:34:27 -526.041546 3.7994 BFGS: 53 15:34:27 -526.077238 4.0887 BFGS: 54 15:34:27 -526.112756 4.7260 BFGS: 55 15:34:27 -526.150472 5.1427 BFGS: 56 15:34:27 -526.189632 5.6583 BFGS: 57 15:34:27 -526.243670 6.0351 BFGS: 58 15:34:27 -526.290170 6.8090 BFGS: 59 15:34:27 -526.399544 6.5982 BFGS: 60 15:34:27 -526.530760 6.9706 BFGS: 61 15:34:27 -526.692901 6.4556 BFGS: 62 15:34:27 -526.855250 6.6047 BFGS: 63 15:34:27 -527.041594 6.5041 BFGS: 64 15:34:27 -527.249503 6.3340 BFGS: 65 15:34:27 -527.478274 6.0514 BFGS: 66 15:34:28 -527.726147 5.7514 BFGS: 67 15:34:28 -527.991587 5.3051 BFGS: 68 15:34:28 -528.271197 4.9904 BFGS: 69 15:34:28 -528.553188 4.5541 BFGS: 70 15:34:28 -528.848354 4.0040 BFGS: 71 15:34:28 -529.145915 3.7573 BFGS: 72 15:34:28 -529.446460 3.8856 BFGS: 73 15:34:28 -529.747727 4.0139 BFGS: 74 15:34:28 -530.049410 4.1400 BFGS: 75 15:34:28 -530.352603 4.2651 BFGS: 76 15:34:28 -530.669083 4.4203 BFGS: 77 15:34:28 -530.967950 4.5350 BFGS: 78 15:34:28 -531.285495 4.6986 BFGS: 79 15:34:28 -531.580781 4.8048 BFGS: 80 15:34:28 -531.934018 5.0544 BFGS: 81 15:34:28 -532.289874 5.3039 BFGS: 82 15:34:28 -532.648655 5.5591 BFGS: 83 15:34:28 -533.011526 5.8218 BFGS: 84 15:34:28 -533.379585 6.0939 BFGS: 85 15:34:29 -533.753862 6.3805 BFGS: 86 15:34:29 -534.134673 6.6732 BFGS: 87 15:34:29 -534.525367 6.9800 BFGS: 88 15:34:29 -534.927011 7.3043 BFGS: 89 15:34:29 -535.342525 7.6526 BFGS: 90 15:34:29 -535.775366 8.0189 BFGS: 91 15:34:29 -536.233537 8.4164 BFGS: 92 15:34:29 -536.726289 8.8525 BFGS: 93 15:34:29 -537.272184 9.3407 BFGS: 94 15:34:29 -537.899739 9.8944 BFGS: 95 15:34:29 -538.647019 10.5111 BFGS: 96 15:34:29 -539.546653 11.1439 BFGS: 97 15:34:29 -540.622730 11.7451 BFGS: 98 15:34:29 -541.638245 12.1344 BFGS: 99 15:34:29 -542.307748 12.2322 BFGS: 100 15:34:29 -542.777885 12.2828 BFGS: 101 15:34:30 -543.224151 12.3540 BFGS: 102 15:34:30 -543.669701 12.4127 BFGS: 103 15:34:30 -544.115070 12.4604 BFGS: 104 15:34:30 -544.558346 12.4916 BFGS: 105 15:34:30 -544.999266 12.5061 BFGS: 106 15:34:30 -545.437346 12.8719 BFGS: 107 15:34:30 -545.871792 13.3560 BFGS: 108 15:34:30 -546.302515 14.0033 BFGS: 109 15:34:30 -546.729557 15.5520 BFGS: 110 15:34:30 -547.154373 17.1402 BFGS: 111 15:34:30 -547.577559 18.7699 BFGS: 112 15:34:30 -548.000036 20.4442 BFGS: 113 15:34:30 -548.421458 22.1648 BFGS: 114 15:34:30 -548.842694 23.9241 BFGS: 115 15:34:30 -549.263209 25.7137 BFGS: 116 15:34:30 -549.682161 27.5162 BFGS: 117 15:34:30 -550.099620 29.3209 BFGS: 118 15:34:30 -550.515339 31.1170 BFGS: 119 15:34:30 -550.929090 32.9077 BFGS: 120 15:34:30 -551.341344 34.6880 BFGS: 121 15:34:31 -551.752374 36.4678 BFGS: 122 15:34:31 -552.162735 38.2575 BFGS: 123 15:34:31 -552.572751 40.1138 BFGS: 124 15:34:31 -552.982880 41.9998 BFGS: 125 15:34:31 -553.391956 43.9334 BFGS: 126 15:34:31 -553.800389 45.8788 BFGS: 127 15:34:31 -554.207242 47.8659 BFGS: 128 15:34:31 -554.613392 49.8395 BFGS: 129 15:34:31 -555.017235 51.8368 BFGS: 130 15:34:31 -555.420061 53.7986 BFGS: 131 15:34:31 -555.821530 55.7736 BFGS: 132 15:34:31 -556.222283 57.6984 BFGS: 133 15:34:31 -556.622604 59.6380 BFGS: 134 15:34:31 -557.023288 61.5514 BFGS: 135 15:34:31 -557.423797 63.5002 BFGS: 136 15:34:31 -557.825011 65.4635 BFGS: 137 15:34:31 -558.226427 67.4615 BFGS: 138 15:34:31 -558.628113 69.4708 BFGS: 139 15:34:31 -559.030650 71.5171 BFGS: 140 15:34:31 -559.439233 73.4826 BFGS: 141 15:34:32 -559.845432 75.5279 BFGS: 142 15:34:32 -560.253986 77.5049 BFGS: 143 15:34:32 -560.663019 79.5639 BFGS: 144 15:34:32 -561.072370 81.5833 BFGS: 145 15:34:32 -561.483135 83.6616 BFGS: 146 15:34:32 -561.894026 85.6960 BFGS: 147 15:34:32 -562.305917 87.7961 BFGS: 148 15:34:32 -562.718600 89.8501 BFGS: 149 15:34:32 -563.132212 91.9753 BFGS: 150 15:34:32 -563.546719 94.0430 BFGS: 151 15:34:32 -563.962617 96.1997 BFGS: 152 15:34:32 -564.379080 98.2706 BFGS: 153 15:34:32 -564.797738 100.4727 BFGS: 154 15:34:32 -565.217137 102.5414 BFGS: 155 15:34:32 -565.638259 104.7762 BFGS: 156 15:34:32 -566.060798 106.8451 BFGS: 157 15:34:32 -566.485854 109.1112 BFGS: 158 15:34:32 -566.912551 111.1805 BFGS: 159 15:34:32 -567.341488 113.4537 BFGS: 160 15:34:32 -567.772899 115.5300 BFGS: 161 15:34:33 -568.206818 117.7825 BFGS: 162 15:34:33 -568.643615 119.8771 BFGS: 163 15:34:33 -569.083403 122.0948 BFGS: 164 15:34:33 -569.525507 124.2176 BFGS: 165 15:34:33 -569.971088 126.3953 BFGS: 166 15:34:33 -570.419428 128.5013 BFGS: 167 15:34:33 -570.870768 130.6535 BFGS: 168 15:34:33 -571.324769 132.7593 BFGS: 169 15:34:33 -571.782195 134.8708 BFGS: 170 15:34:33 -572.242724 136.9585 BFGS: 171 15:34:33 -572.706400 139.0097 BFGS: 172 15:34:33 -573.172858 141.0900 BFGS: 173 15:34:33 -573.642894 143.0468 BFGS: 174 15:34:33 -574.117151 145.0765 BFGS: 175 15:34:33 -574.595244 146.9016 BFGS: 176 15:34:33 -575.078238 148.9179 BFGS: 177 15:34:33 -575.564645 150.5483 BFGS: 178 15:34:33 -576.058770 152.5450 BFGS: 179 15:34:33 -576.557502 153.9779 BFGS: 180 15:34:33 -577.059442 155.9071 BFGS: 181 15:34:34 -577.569010 157.2682 BFGS: 182 15:34:34 -578.085580 159.0080 BFGS: 183 15:34:34 -578.609110 160.3213 BFGS: 184 15:34:34 -579.140709 161.9116 BFGS: 185 15:34:34 -579.679327 163.1648 BFGS: 186 15:34:34 -580.226929 164.6499 BFGS: 187 15:34:34 -580.781138 165.8471 BFGS: 188 15:34:34 -581.342723 167.2795 BFGS: 189 15:34:34 -581.913212 168.4193 BFGS: 190 15:34:34 -582.491458 169.7675 BFGS: 191 15:34:34 -583.078401 170.8811 BFGS: 192 15:34:34 -583.674070 172.1340 BFGS: 193 15:34:34 -584.278234 173.2344 BFGS: 194 15:34:34 -584.892113 174.4046 BFGS: 195 15:34:34 -585.516542 175.4761 BFGS: 196 15:34:34 -586.150421 176.5843 BFGS: 197 15:34:34 -586.796756 177.6191 BFGS: 198 15:34:34 -587.452637 178.6701 BFGS: 199 15:34:35 -588.122672 179.6682 BFGS: 200 15:34:35 -588.799532 180.6792 BFGS: 201 15:34:35 -589.496404 181.6407 BFGS: 202 15:34:35 -590.196384 182.5698 BFGS: 203 15:34:35 -590.922864 183.5334 BFGS: 204 15:34:35 -591.646515 184.3570 BFGS: 205 15:34:35 -592.400344 185.3040 BFGS: 206 15:34:35 -593.159047 186.0391 BFGS: 207 15:34:35 -593.940140 186.9345 BFGS: 208 15:34:35 -594.736623 187.5961 BFGS: 209 15:34:35 -595.552590 188.4297 BFGS: 210 15:34:35 -596.389206 188.9998 BFGS: 211 15:34:35 -597.243484 189.7693 BFGS: 212 15:34:35 -598.118588 190.2645 BFGS: 213 15:34:35 -599.010696 191.0282 BFGS: 214 15:34:35 -599.928655 191.4362 BFGS: 215 15:34:36 -600.858445 192.2014 BFGS: 216 15:34:36 -601.813237 192.5712 BFGS: 217 15:34:36 -602.778665 193.3371 BFGS: 218 15:34:36 -603.774050 193.6826 BFGS: 219 15:34:36 -604.776020 194.4360 BFGS: 220 15:34:36 -605.810226 194.7993 BFGS: 221 15:34:36 -606.850834 195.5217 BFGS: 222 15:34:36 -607.924564 195.9354 BFGS: 223 15:34:36 -609.007122 196.6146 BFGS: 224 15:34:36 -610.123591 197.0838 BFGS: 225 15:34:36 -611.255821 197.6844 BFGS: 226 15:34:36 -612.422492 198.1997 BFGS: 227 15:34:36 -613.613464 198.6986 BFGS: 228 15:34:36 -614.848178 199.1739 BFGS: 229 15:34:36 -616.122511 199.4242 BFGS: 230 15:34:36 -617.460113 199.6249 BFGS: 231 15:34:36 -618.868624 199.3333 BFGS: 232 15:34:36 -620.384259 198.8902 BFGS: 233 15:34:36 -622.022659 197.6048 BFGS: 234 15:34:36 -623.821109 196.0835 BFGS: 235 15:34:37 -625.788776 193.5630 BFGS: 236 15:34:37 -627.941377 190.8232 BFGS: 237 15:34:37 -630.273064 187.0650 BFGS: 238 15:34:37 -632.769330 183.1576 BFGS: 239 15:34:37 -635.418342 178.2002 BFGS: 240 15:34:37 -638.209272 173.0624 BFGS: 241 15:34:37 -641.151380 166.9913 BFGS: 242 15:34:37 -644.197231 161.0629 BFGS: 243 15:34:37 -647.189135 155.1770 BFGS: 244 15:34:37 -650.193339 150.0098 BFGS: 245 15:34:37 -653.245049 147.4717 BFGS: 246 15:34:37 -656.344087 144.8819 BFGS: 247 15:34:37 -659.363552 142.3177 BFGS: 248 15:34:37 -662.318823 139.7213 BFGS: 249 15:34:37 -665.218127 137.2259 BFGS: 250 15:34:37 -668.073561 134.5489 BFGS: 251 15:34:37 -670.890921 132.0073 BFGS: 252 15:34:37 -673.693837 128.9417 BFGS: 253 15:34:37 -676.505635 125.8247 BFGS: 254 15:34:38 -679.422976 121.1796 BFGS: 255 15:34:38 -682.587603 115.6163 BFGS: 256 15:34:38 -686.344717 106.6343 BFGS: 257 15:34:38 -690.005846 98.5242 BFGS: 258 15:34:38 -693.517014 90.4714 BFGS: 259 15:34:38 -696.524080 84.6035 BFGS: 260 15:34:38 -699.386767 79.0311 BFGS: 261 15:34:38 -701.984272 75.1576 BFGS: 262 15:34:38 -704.454659 71.7733 BFGS: 263 15:34:38 -706.759066 68.7326 BFGS: 264 15:34:38 -708.954803 65.8890 BFGS: 265 15:34:38 -711.036251 63.2729 BFGS: 266 15:34:38 -713.026801 60.8402 BFGS: 267 15:34:38 -714.935671 58.5721 BFGS: 268 15:34:38 -716.773723 56.4471 BFGS: 269 15:34:38 -718.549804 54.4613 BFGS: 270 15:34:39 -720.272199 52.5850 BFGS: 271 15:34:39 -721.950641 50.8185 BFGS: 272 15:34:39 -723.587922 49.1430 BFGS: 273 15:34:39 -725.188363 47.5745 BFGS: 274 15:34:39 -726.759357 46.0541 BFGS: 275 15:34:39 -728.307933 44.6319 BFGS: 276 15:34:39 -729.827954 43.2482 BFGS: 277 15:34:39 -731.337657 41.9584 BFGS: 278 15:34:39 -732.817508 40.6917 BFGS: 279 15:34:39 -734.290044 39.5265 BFGS: 280 15:34:39 -735.740285 38.3699 BFGS: 281 15:34:39 -737.182276 37.2996 BFGS: 282 15:34:39 -738.609011 36.2476 BFGS: 283 15:34:39 -740.027463 35.2767 BFGS: 284 15:34:39 -741.436623 34.3258 BFGS: 285 15:34:39 -742.837487 33.4391 BFGS: 286 15:34:39 -744.233175 32.5849 BFGS: 287 15:34:39 -745.621609 31.7916 BFGS: 288 15:34:40 -747.011416 31.0277 BFGS: 289 15:34:40 -748.397079 30.3219 BFGS: 290 15:34:40 -749.790272 29.6407 BFGS: 291 15:34:40 -751.183254 29.0172 BFGS: 292 15:34:40 -752.592987 28.4057 BFGS: 293 15:34:40 -753.998496 27.8620 BFGS: 294 15:34:40 -755.430807 27.3220 BFGS: 295 15:34:40 -756.864606 26.8410 BFGS: 296 15:34:40 -758.326125 26.3608 BFGS: 297 15:34:40 -759.790709 25.9236 BFGS: 298 15:34:40 -761.232641 25.8196 BFGS: 299 15:34:40 -762.657610 25.6523 BFGS: 300 15:34:40 -764.057414 25.4697 BFGS: 301 15:34:40 -765.449285 25.1663 BFGS: 302 15:34:40 -766.825790 24.8116 BFGS: 303 15:34:40 -768.199301 24.3567 BFGS: 304 15:34:41 -769.563390 23.8546 BFGS: 305 15:34:41 -770.926737 23.7176 BFGS: 306 15:34:41 -772.286158 23.6183 BFGS: 307 15:34:41 -773.651870 23.5751 BFGS: 308 15:34:41 -775.020833 23.6429 BFGS: 309 15:34:41 -776.405752 24.8864 BFGS: 310 15:34:41 -777.803363 26.0206 BFGS: 311 15:34:41 -779.200346 27.1104 BFGS: 312 15:34:41 -780.603983 28.0436 BFGS: 313 15:34:41 -781.997358 28.9211 BFGS: 314 15:34:41 -783.412453 29.6083 BFGS: 315 15:34:41 -784.813165 30.2732 BFGS: 316 15:34:41 -786.254247 30.6461 BFGS: 317 15:34:41 -787.656570 31.1026 BFGS: 318 15:34:41 -789.113895 31.1520 BFGS: 319 15:34:41 -790.532472 31.3112 BFGS: 320 15:34:42 -791.996249 31.1226 BFGS: 321 15:34:42 -793.457976 30.9007 BFGS: 322 15:34:42 -794.950269 30.4453 BFGS: 323 15:34:42 -796.453386 29.8848 BFGS: 324 15:34:42 -797.978703 29.1370 BFGS: 325 15:34:42 -799.522157 28.2380 BFGS: 326 15:34:42 -801.070129 28.0219 BFGS: 327 15:34:42 -802.635210 27.9685 BFGS: 328 15:34:42 -804.139923 27.8374 BFGS: 329 15:34:42 -805.590515 27.5968 BFGS: 330 15:34:42 -807.014703 27.2925 BFGS: 331 15:34:42 -808.409186 26.9225 BFGS: 332 15:34:42 -809.792569 26.7761 BFGS: 333 15:34:42 -811.155979 26.8763 BFGS: 334 15:34:42 -812.513792 26.9684 BFGS: 335 15:34:43 -813.846529 26.9734 BFGS: 336 15:34:43 -815.072464 26.9399 BFGS: 337 15:34:43 -816.164994 26.7711 BFGS: 338 15:34:43 -817.173444 26.5465 BFGS: 339 15:34:43 -818.103884 26.1277 BFGS: 340 15:34:43 -818.997553 25.6332 BFGS: 341 15:34:43 -819.853161 24.8954 BFGS: 342 15:34:43 -820.660778 24.1163 BFGS: 343 15:34:43 -821.449804 23.1142 BFGS: 344 15:34:43 -822.230351 22.0807 BFGS: 345 15:34:43 -823.041814 20.8443 BFGS: 346 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15:35:07 -839.880457 14.2057 BFGS: 653 15:35:07 -839.880642 14.2049 BFGS: 654 15:35:08 -839.880827 14.2042 BFGS: 655 15:35:08 -839.881012 14.2034 BFGS: 656 15:35:08 -839.881198 14.2027 BFGS: 657 15:35:08 -839.881384 14.2020 BFGS: 658 15:35:08 -839.881570 14.2014 BFGS: 659 15:35:08 -839.881757 14.2007 BFGS: 660 15:35:08 -839.881944 14.2001 BFGS: 661 15:35:08 -839.882132 14.1995 BFGS: 662 15:35:08 -839.882320 14.1989 BFGS: 663 15:35:08 -839.882508 14.1984 BFGS: 664 15:35:09 -839.882696 14.1978 BFGS: 665 15:35:09 -839.882885 14.1973 BFGS: 666 15:35:09 -839.883074 14.1968 BFGS: 667 15:35:09 -839.883263 14.1963 BFGS: 668 15:35:09 -839.883453 14.1958 BFGS: 669 15:35:09 -839.883642 14.1954 BFGS: 670 15:35:09 -839.883832 14.1949 BFGS: 671 15:35:09 -839.884022 14.1945 BFGS: 672 15:35:09 -839.884212 14.1941 BFGS: 673 15:35:09 -839.884403 14.1937 BFGS: 674 15:35:10 -839.884593 14.1933 BFGS: 675 15:35:10 -839.884784 14.1929 BFGS: 676 15:35:10 -839.884974 14.1925 BFGS: 677 15:35:10 -839.885165 14.1922 BFGS: 678 15:35:10 -839.885356 14.1918 BFGS: 679 15:35:10 -839.885547 14.1915 BFGS: 680 15:35:10 -839.885738 14.1912 BFGS: 681 15:35:10 -839.885929 14.1909 BFGS: 682 15:35:10 -839.886120 14.1906 BFGS: 683 15:35:11 -839.886311 14.1903 BFGS: 684 15:35:11 -839.886503 14.1900 BFGS: 685 15:35:11 -839.886694 14.1897 BFGS: 686 15:35:11 -839.886885 14.1895 BFGS: 687 15:35:11 -839.887076 14.1892 BFGS: 688 15:35:11 -839.887267 14.1890 BFGS: 689 15:35:11 -839.887459 14.1888 BFGS: 690 15:35:11 -839.887650 14.1885 BFGS: 691 15:35:11 -839.887841 14.1883 BFGS: 692 15:35:11 -839.888032 14.1881 BFGS: 693 15:35:12 -839.888223 14.1879 BFGS: 694 15:35:12 -839.888414 14.1877 BFGS: 695 15:35:12 -839.888605 14.1875 BFGS: 696 15:35:12 -839.888796 14.1874 BFGS: 697 15:35:12 -839.888986 14.1872 BFGS: 698 15:35:12 -839.889177 14.1870 BFGS: 699 15:35:12 -839.889367 14.1869 BFGS: 700 15:35:12 -839.889558 14.1867 BFGS: 701 15:35:12 -839.889748 14.1866 BFGS: 702 15:35:13 -839.889938 14.1865 BFGS: 703 15:35:13 -839.890128 14.1863 BFGS: 704 15:35:13 -839.890317 14.1862 BFGS: 705 15:35:13 -839.890507 14.1861 BFGS: 706 15:35:13 -839.890697 14.1860 BFGS: 707 15:35:13 -839.890886 14.1859 BFGS: 708 15:35:13 -839.891075 14.1858 BFGS: 709 15:35:13 -839.891264 14.1857 BFGS: 710 15:35:13 -839.891452 14.1856 BFGS: 711 15:35:13 -839.891641 14.1855 BFGS: 712 15:35:14 -839.891829 14.1855 BFGS: 713 15:35:14 -839.892017 14.1854 BFGS: 714 15:35:14 -839.892205 14.1853 BFGS: 715 15:35:14 -839.892392 14.1853 BFGS: 716 15:35:14 -839.892580 14.1852 BFGS: 717 15:35:14 -839.892767 14.1852 BFGS: 718 15:35:14 -839.892954 14.1852 BFGS: 719 15:35:14 -839.893140 14.1851 BFGS: 720 15:35:14 -839.893327 14.1851 BFGS: 721 15:35:15 -839.893513 14.1851 BFGS: 722 15:35:15 -839.893699 14.1850 BFGS: 723 15:35:15 -839.893884 14.1850 BFGS: 724 15:35:15 -839.894070 14.1850 BFGS: 725 15:35:15 -839.894255 14.1850 BFGS: 726 15:35:15 -839.894439 14.1850 BFGS: 727 15:35:15 -839.894624 14.1850 BFGS: 728 15:35:15 -839.894808 14.1850 BFGS: 729 15:35:15 -839.894991 14.1850 BFGS: 730 15:35:16 -839.895175 14.1850 BFGS: 731 15:35:16 -839.895357 14.1850 BFGS: 732 15:35:16 -839.895540 14.1850 BFGS: 733 15:35:16 -839.895722 14.1850 BFGS: 734 15:35:16 -839.895904 14.1850 BFGS: 735 15:35:16 -839.896085 14.1850 BFGS: 736 15:35:16 -839.896266 14.1851 BFGS: 737 15:35:16 -839.896447 14.1851 BFGS: 738 15:35:16 -839.896627 14.1851 BFGS: 739 15:35:17 -839.896807 14.1852 BFGS: 740 15:35:17 -839.896987 14.1852 BFGS: 741 15:35:17 -839.897166 14.1853 BFGS: 742 15:35:17 -839.897345 14.1853 BFGS: 743 15:35:17 -839.897524 14.1854 BFGS: 744 15:35:17 -839.897702 14.1854 BFGS: 745 15:35:17 -839.897879 14.1854 BFGS: 746 15:35:17 -839.898057 14.1855 BFGS: 747 15:35:17 -839.898233 14.1855 BFGS: 748 15:35:17 -839.898410 14.1856 BFGS: 749 15:35:17 -839.898586 14.1857 BFGS: 750 15:35:18 -839.898761 14.1857 BFGS: 751 15:35:18 -839.898937 14.1858 BFGS: 752 15:35:18 -839.899111 14.1859 BFGS: 753 15:35:18 -839.899285 14.1859 BFGS: 754 15:35:18 -839.899459 14.1860 BFGS: 755 15:35:18 -839.899633 14.1861 BFGS: 756 15:35:18 -839.899806 14.1862 BFGS: 757 15:35:18 -839.899979 14.1862 BFGS: 758 15:35:18 -839.900151 14.1863 BFGS: 759 15:35:18 -839.900323 14.1864 BFGS: 760 15:35:18 -839.900494 14.1865 BFGS: 761 15:35:18 -839.900665 14.1866 BFGS: 762 15:35:18 -839.900835 14.1867 BFGS: 763 15:35:18 -839.901005 14.1867 BFGS: 764 15:35:18 -839.901174 14.1868 BFGS: 765 15:35:19 -839.901343 14.1869 BFGS: 766 15:35:19 -839.901511 14.1870 BFGS: 767 15:35:19 -839.901679 14.1871 BFGS: 768 15:35:19 -839.901846 14.1872 BFGS: 769 15:35:19 -839.902013 14.1873 BFGS: 770 15:35:19 -839.902179 14.1873 BFGS: 771 15:35:19 -839.902344 14.1874 BFGS: 772 15:35:19 -839.902509 14.1875 BFGS: 773 15:35:19 -839.902674 14.1876 BFGS: 774 15:35:19 -839.902838 14.1877 BFGS: 775 15:35:19 -839.903002 14.1878 BFGS: 776 15:35:19 -839.903166 14.1879 BFGS: 777 15:35:19 -839.903329 14.1881 BFGS: 778 15:35:19 -839.903491 14.1882 BFGS: 779 15:35:19 -839.903653 14.1883 BFGS: 780 15:35:19 -839.903814 14.1884 BFGS: 781 15:35:19 -839.903975 14.1885 BFGS: 782 15:35:20 -839.904135 14.1886 BFGS: 783 15:35:20 -839.904295 14.1887 BFGS: 784 15:35:20 -839.904454 14.1888 BFGS: 785 15:35:20 -839.904613 14.1889 BFGS: 786 15:35:20 -839.904772 14.1891 BFGS: 787 15:35:20 -839.904930 14.1892 BFGS: 788 15:35:20 -839.905087 14.1893 BFGS: 789 15:35:20 -839.905244 14.1894 BFGS: 790 15:35:20 -839.905401 14.1895 BFGS: 791 15:35:20 -839.905557 14.1896 BFGS: 792 15:35:20 -839.905712 14.1898 BFGS: 793 15:35:20 -839.905867 14.1899 BFGS: 794 15:35:20 -839.906021 14.1900 BFGS: 795 15:35:20 -839.906175 14.1901 BFGS: 796 15:35:20 -839.906328 14.1902 BFGS: 797 15:35:20 -839.906480 14.1903 BFGS: 798 15:35:20 -839.906633 14.1905 BFGS: 799 15:35:20 -839.906784 14.1906 BFGS: 800 15:35:20 -839.906935 14.1907 BFGS: 801 15:35:21 -839.907086 14.1908 BFGS: 802 15:35:21 -839.907236 14.1909 BFGS: 803 15:35:21 -839.907385 14.1911 BFGS: 804 15:35:21 -839.907534 14.1912 BFGS: 805 15:35:21 -839.907682 14.1913 BFGS: 806 15:35:21 -839.907830 14.1914 BFGS: 807 15:35:21 -839.907978 14.1916 BFGS: 808 15:35:21 -839.908124 14.1917 BFGS: 809 15:35:21 -839.908271 14.1918 BFGS: 810 15:35:21 -839.908416 14.1919 BFGS: 811 15:35:21 -839.908562 14.1921 BFGS: 812 15:35:21 -839.908707 14.1922 BFGS: 813 15:35:21 -839.908851 14.1924 BFGS: 814 15:35:21 -839.908995 14.1925 BFGS: 815 15:35:21 -839.909138 14.1926 BFGS: 816 15:35:21 -839.909281 14.1928 BFGS: 817 15:35:21 -839.909423 14.1929 BFGS: 818 15:35:21 -839.909564 14.1930 BFGS: 819 15:35:21 -839.909705 14.1931 BFGS: 820 15:35:21 -839.909846 14.1933 BFGS: 821 15:35:22 -839.909986 14.1934 BFGS: 822 15:35:22 -839.910126 14.1936 BFGS: 823 15:35:22 -839.910265 14.1937 BFGS: 824 15:35:22 -839.910403 14.1938 BFGS: 825 15:35:22 -839.910542 14.1940 BFGS: 826 15:35:22 -839.910679 14.1941 BFGS: 827 15:35:22 -839.910816 14.1942 BFGS: 828 15:35:22 -839.910953 14.1944 BFGS: 829 15:35:22 -839.911089 14.1945 BFGS: 830 15:35:22 -839.911224 14.1947 BFGS: 831 15:35:22 -839.911359 14.1948 BFGS: 832 15:35:22 -839.911493 14.1949 BFGS: 833 15:35:22 -839.911627 14.1950 BFGS: 834 15:35:22 -839.911760 14.1952 BFGS: 835 15:35:22 -839.911892 14.1953 BFGS: 836 15:35:22 -839.912024 14.1954 BFGS: 837 15:35:22 -839.912156 14.1956 BFGS: 838 15:35:22 -839.912287 14.1957 BFGS: 839 15:35:22 -839.912418 14.1958 BFGS: 840 15:35:23 -839.912549 14.1959 BFGS: 841 15:35:23 -839.912678 14.1960 BFGS: 842 15:35:23 -839.912807 14.1962 BFGS: 843 15:35:23 -839.912936 14.1963 BFGS: 844 15:35:23 -839.913064 14.1964 BFGS: 845 15:35:23 -839.913192 14.1966 BFGS: 846 15:35:23 -839.913319 14.1967 BFGS: 847 15:35:23 -839.913446 14.1969 BFGS: 848 15:35:23 -839.913572 14.1970 BFGS: 849 15:35:23 -839.913697 14.1972 BFGS: 850 15:35:23 -839.913823 14.1973 BFGS: 851 15:35:23 -839.913947 14.1975 BFGS: 852 15:35:23 -839.914071 14.1976 BFGS: 853 15:35:23 -839.914195 14.1977 BFGS: 854 15:35:23 -839.914317 14.1979 BFGS: 855 15:35:23 -839.914439 14.1980 BFGS: 856 15:35:23 -839.914561 14.1981 BFGS: 857 15:35:23 -839.914682 14.1983 BFGS: 858 15:35:23 -839.914803 14.1984 BFGS: 859 15:35:23 -839.914923 14.1985 BFGS: 860 15:35:24 -839.915043 14.1987 BFGS: 861 15:35:24 -839.915162 14.1988 BFGS: 862 15:35:24 -839.915281 14.1990 BFGS: 863 15:35:24 -839.915399 14.1991 BFGS: 864 15:35:24 -839.915516 14.1992 BFGS: 865 15:35:24 -839.915633 14.1994 BFGS: 866 15:35:24 -839.915750 14.1995 BFGS: 867 15:35:24 -839.915865 14.1996 BFGS: 868 15:35:24 -839.915981 14.1998 BFGS: 869 15:35:24 -839.916096 14.1999 BFGS: 870 15:35:24 -839.916211 14.2001 BFGS: 871 15:35:24 -839.916325 14.2002 BFGS: 872 15:35:24 -839.916438 14.2004 BFGS: 873 15:35:24 -839.916551 14.2005 BFGS: 874 15:35:24 -839.916664 14.2006 BFGS: 875 15:35:24 -839.916776 14.2008 BFGS: 876 15:35:24 -839.916888 14.2009 BFGS: 877 15:35:24 -839.916999 14.2011 BFGS: 878 15:35:24 -839.917109 14.2012 BFGS: 879 15:35:25 -839.917220 14.2013 BFGS: 880 15:35:25 -839.917329 14.2015 BFGS: 881 15:35:25 -839.917439 14.2016 BFGS: 882 15:35:25 -839.917547 14.2018 BFGS: 883 15:35:25 -839.917656 14.2019 BFGS: 884 15:35:25 -839.917764 14.2021 BFGS: 885 15:35:25 -839.917871 14.2022 BFGS: 886 15:35:25 -839.917978 14.2023 BFGS: 887 15:35:25 -839.918084 14.2025 BFGS: 888 15:35:25 -839.918190 14.2026 BFGS: 889 15:35:25 -839.918295 14.2028 BFGS: 890 15:35:25 -839.918400 14.2029 BFGS: 891 15:35:25 -839.918505 14.2030 BFGS: 892 15:35:25 -839.918608 14.2032 BFGS: 893 15:35:25 -839.918712 14.2033 BFGS: 894 15:35:25 -839.918815 14.2034 BFGS: 895 15:35:25 -839.918917 14.2036 BFGS: 896 15:35:25 -839.919019 14.2037 BFGS: 897 15:35:25 -839.919121 14.2039 BFGS: 898 15:35:26 -839.919222 14.2040 BFGS: 899 15:35:26 -839.919322 14.2041 BFGS: 900 15:35:26 -839.919422 14.2043 BFGS: 901 15:35:26 -839.919521 14.2044 BFGS: 902 15:35:26 -839.919620 14.2045 BFGS: 903 15:35:26 -839.919719 14.2047 BFGS: 904 15:35:26 -839.919817 14.2048 BFGS: 905 15:35:26 -839.919915 14.2049 BFGS: 906 15:35:26 -839.920011 14.2050 BFGS: 907 15:35:26 -839.920108 14.2052 BFGS: 908 15:35:26 -839.920204 14.2053 BFGS: 909 15:35:26 -839.920300 14.2054 BFGS: 910 15:35:26 -839.920395 14.2055 BFGS: 911 15:35:26 -839.920489 14.2057 BFGS: 912 15:35:26 -839.920583 14.2058 BFGS: 913 15:35:26 -839.920677 14.2059 BFGS: 914 15:35:26 -839.920770 14.2060 BFGS: 915 15:35:26 -839.920863 14.2061 BFGS: 916 15:35:27 -839.920955 14.2063 BFGS: 917 15:35:27 -839.921047 14.2064 BFGS: 918 15:35:27 -839.921138 14.2065 BFGS: 919 15:35:27 -839.921228 14.2066 BFGS: 920 15:35:27 -839.921319 14.2067 BFGS: 921 15:35:27 -839.921408 14.2068 BFGS: 922 15:35:27 -839.921498 14.2070 BFGS: 923 15:35:27 -839.921587 14.2071 BFGS: 924 15:35:27 -839.921675 14.2072 BFGS: 925 15:35:27 -839.921763 14.2073 BFGS: 926 15:35:27 -839.921851 14.2075 BFGS: 927 15:35:27 -839.921939 14.2076 BFGS: 928 15:35:27 -839.922025 14.2077 BFGS: 929 15:35:27 -839.922112 14.2078 BFGS: 930 15:35:27 -839.922198 14.2080 BFGS: 931 15:35:27 -839.922284 14.2081 BFGS: 932 15:35:27 -839.922369 14.2082 BFGS: 933 15:35:27 -839.922454 14.2083 BFGS: 934 15:35:28 -839.922538 14.2084 BFGS: 935 15:35:28 -839.922622 14.2086 BFGS: 936 15:35:28 -839.922706 14.2087 BFGS: 937 15:35:28 -839.922789 14.2088 BFGS: 938 15:35:28 -839.922872 14.2089 BFGS: 939 15:35:28 -839.922955 14.2091 BFGS: 940 15:35:28 -839.923037 14.2092 BFGS: 941 15:35:28 -839.923118 14.2093 BFGS: 942 15:35:28 -839.923200 14.2094 BFGS: 943 15:35:28 -839.923281 14.2096 BFGS: 944 15:35:28 -839.923361 14.2097 BFGS: 945 15:35:28 -839.923441 14.2098 BFGS: 946 15:35:28 -839.923520 14.2099 BFGS: 947 15:35:28 -839.923600 14.2100 BFGS: 948 15:35:28 -839.923678 14.2102 BFGS: 949 15:35:28 -839.923757 14.2103 BFGS: 950 15:35:28 -839.923835 14.2104 BFGS: 951 15:35:29 -839.923913 14.2105 BFGS: 952 15:35:29 -839.923990 14.2106 BFGS: 953 15:35:29 -839.924067 14.2112 BFGS: 954 15:35:29 -839.924144 14.2111 BFGS: 955 15:35:29 -839.924220 14.2112 BFGS: 956 15:35:29 -839.924296 14.2113 BFGS: 957 15:35:29 -839.924372 14.2114 BFGS: 958 15:35:29 -839.924447 14.2116 BFGS: 959 15:35:29 -839.924522 14.2117 BFGS: 960 15:35:29 -839.924597 14.2118 BFGS: 961 15:35:29 -839.924671 14.2119 BFGS: 962 15:35:29 -839.924744 14.2120 BFGS: 963 15:35:29 -839.924817 14.2121 BFGS: 964 15:35:29 -839.924890 14.2122 BFGS: 965 15:35:29 -839.924963 14.2123 BFGS: 966 15:35:29 -839.925034 14.2124 BFGS: 967 15:35:29 -839.925106 14.2125 BFGS: 968 15:35:29 -839.925178 14.2126 BFGS: 969 15:35:29 -839.925249 14.2127 BFGS: 970 15:35:30 -839.925319 14.2129 BFGS: 971 15:35:30 -839.925389 14.2130 BFGS: 972 15:35:30 -839.925459 14.2131 BFGS: 973 15:35:30 -839.925529 14.2132 BFGS: 974 15:35:30 -839.925598 14.2133 BFGS: 975 15:35:30 -839.925667 14.2134 BFGS: 976 15:35:30 -839.925735 14.2135 BFGS: 977 15:35:30 -839.925803 14.2136 BFGS: 978 15:35:30 -839.925871 14.2137 BFGS: 979 15:35:30 -839.925938 14.2138 BFGS: 980 15:35:30 -839.926005 14.2139 BFGS: 981 15:35:30 -839.926072 14.2140 BFGS: 982 15:35:30 -839.926138 14.2141 BFGS: 983 15:35:30 -839.926203 14.2142 BFGS: 984 15:35:30 -839.926269 14.2143 BFGS: 985 15:35:30 -839.926334 14.2144 BFGS: 986 15:35:30 -839.926398 14.2144 BFGS: 987 15:35:30 -839.926463 14.2145 BFGS: 988 15:35:31 -839.926527 14.2146 BFGS: 989 15:35:31 -839.926590 14.2147 BFGS: 990 15:35:31 -839.926654 14.2148 BFGS: 991 15:35:31 -839.926717 14.2149 BFGS: 992 15:35:31 -839.926779 14.2150 BFGS: 993 15:35:31 -839.926841 14.2151 BFGS: 994 15:35:31 -839.926903 14.2152 BFGS: 995 15:35:31 -839.926965 14.2152 BFGS: 996 15:35:31 -839.927026 14.2153 BFGS: 997 15:35:31 -839.927087 14.2155 BFGS: 998 15:35:31 -839.927148 14.2156 BFGS: 999 15:35:31 -839.927209 14.2156 BFGS: 1000 15:35:31 -839.927269 14.2157 BFGS: 1001 15:35:31 -839.927329 14.2158 BFGS: 1002 15:35:31 -839.927388 14.2159 BFGS: 1003 15:35:31 -839.927447 14.2160 BFGS: 1004 15:35:31 -839.927506 14.2161 BFGS: 1005 15:35:31 -839.927564 14.2162 BFGS: 1006 15:35:32 -839.927623 14.2162 BFGS: 1007 15:35:32 -839.927680 14.2163 BFGS: 1008 15:35:32 -839.927738 14.2164 BFGS: 1009 15:35:32 -839.927796 14.2165 BFGS: 1010 15:35:32 -839.927853 14.2166 BFGS: 1011 15:35:32 -839.927909 14.2167 BFGS: 1012 15:35:32 -839.927966 14.2167 BFGS: 1013 15:35:32 -839.928022 14.2168 BFGS: 1014 15:35:32 -839.928077 14.2169 BFGS: 1015 15:35:32 -839.928133 14.2170 BFGS: 1016 15:35:32 -839.928188 14.2170 BFGS: 1017 15:35:32 -839.928242 14.2171 BFGS: 1018 15:35:32 -839.928297 14.2172 BFGS: 1019 15:35:32 -839.928351 14.2173 BFGS: 1020 15:35:32 -839.928405 14.2173 BFGS: 1021 15:35:32 -839.928458 14.2174 BFGS: 1022 15:35:32 -839.928511 14.2175 BFGS: 1023 15:35:32 -839.928564 14.2175 BFGS: 1024 15:35:33 -839.928617 14.2176 BFGS: 1025 15:35:33 -839.928669 14.2177 BFGS: 1026 15:35:33 -839.928721 14.2178 BFGS: 1027 15:35:33 -839.928773 14.2178 BFGS: 1028 15:35:33 -839.928824 14.2179 BFGS: 1029 15:35:33 -839.928875 14.2179 BFGS: 1030 15:35:33 -839.928926 14.2180 BFGS: 1031 15:35:33 -839.928976 14.2181 BFGS: 1032 15:35:33 -839.929027 14.2181 BFGS: 1033 15:35:33 -839.929076 14.2182 BFGS: 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3402 15:38:10 -995.705695 0.8735 BFGS: 3403 15:38:10 -995.705769 0.8809 BFGS: 3404 15:38:11 -995.705804 0.9062 BFGS: 3405 15:38:11 -995.705806 0.9149 BFGS: 3406 15:38:11 -995.705807 0.9154 BFGS: 3407 15:38:11 -995.705807 0.9154 BFGS: 3408 15:38:11 -995.705807 0.9151 BFGS: 3409 15:38:11 -995.705807 0.9149 BFGS: 3410 15:38:11 -995.705807 0.9147 BFGS: 3411 15:38:11 -995.705807 0.9147 BFGS: 3412 15:38:11 -995.705807 0.9146 BFGS: 3413 15:38:11 -995.705807 0.9145 BFGS: 3414 15:38:11 -995.705807 0.9144 BFGS: 3415 15:38:11 -995.705807 0.9143 BFGS: 3416 15:38:11 -995.705807 0.9142 BFGS: 3417 15:38:12 -995.705807 0.9140 BFGS: 3418 15:38:12 -995.705807 0.9137 BFGS: 3419 15:38:12 -995.705807 0.9135 BFGS: 3420 15:38:12 -995.705809 0.9132 BFGS: 3421 15:38:12 -995.705812 0.9128 BFGS: 3422 15:38:12 -995.705820 0.9125 BFGS: 3423 15:38:12 -995.705843 0.9123 BFGS: 3424 15:38:12 -995.705901 0.9125 BFGS: 3425 15:38:12 -995.706054 0.9135 BFGS: 3426 15:38:12 -995.706453 0.9162 BFGS: 3427 15:38:12 -995.707503 0.9228 BFGS: 3428 15:38:12 -995.710272 0.9383 BFGS: 3429 15:38:13 -995.717676 1.1051 BFGS: 3430 15:38:13 -995.738001 1.8371 BFGS: 3431 15:38:13 -995.762052 2.3517 BFGS: 3432 15:38:13 -995.790505 2.7738 BFGS: 3433 15:38:13 -995.825443 3.0192 BFGS: 3434 15:38:13 -995.873248 3.1430 BFGS: 3435 15:38:13 -995.934665 3.1814 BFGS: 3436 15:38:13 -996.007545 3.1557 BFGS: 3437 15:38:13 -996.089656 3.0929 BFGS: 3438 15:38:13 -996.183534 3.0020 BFGS: 3439 15:38:13 -996.298021 2.8733 BFGS: 3440 15:38:13 -996.424041 2.7224 BFGS: 3441 15:38:13 -996.556977 2.5671 BFGS: 3442 15:38:14 -996.698588 2.4925 BFGS: 3443 15:38:14 -996.853373 2.4212 BFGS: 3444 15:38:14 -997.025608 2.3484 BFGS: 3445 15:38:14 -997.214769 2.2830 BFGS: 3446 15:38:14 -997.438464 2.2154 BFGS: 3447 15:38:14 -997.685625 2.1653 BFGS: 3448 15:38:14 -997.967238 2.1736 BFGS: 3449 15:38:14 -998.282486 2.3312 BFGS: 3450 15:38:14 -998.649809 2.5469 BFGS: 3451 15:38:14 -999.072489 2.8272 BFGS: 3452 15:38:14 -999.573045 3.2186 BFGS: 3453 15:38:14 -1000.164339 3.6807 BFGS: 3454 15:38:14 -1000.834075 4.2384 BFGS: 3455 15:38:15 -1001.587111 4.8421 BFGS: 3456 15:38:15 -1002.437316 5.3989 BFGS: 3457 15:38:15 -1003.401297 5.5019 BFGS: 3458 15:38:15 -1004.384607 4.2893 BFGS: 3459 15:38:15 -1005.251244 4.5581 BFGS: 3460 15:38:15 -1005.890039 5.9669 BFGS: 3461 15:38:15 -1006.394976 7.6845 BFGS: 3462 15:38:15 -1006.927521 7.6620 BFGS: 3463 15:38:15 -1007.438278 6.8979 BFGS: 3464 15:38:15 -1007.852968 5.7003 BFGS: 3465 15:38:15 -1008.171296 4.4134 BFGS: 3466 15:38:15 -1008.406968 3.7278 BFGS: 3467 15:38:15 -1008.575218 3.3816 BFGS: 3468 15:38:16 -1008.688251 2.9852 BFGS: 3469 15:38:16 -1008.765144 2.5443 BFGS: 3470 15:38:16 -1008.815765 1.9390 BFGS: 3471 15:38:16 -1008.849963 1.1464 BFGS: 3472 15:38:16 -1008.865863 0.5659 BFGS: 3473 15:38:16 -1008.872287 0.1202 BFGS: 3474 15:38:16 -1008.872909 0.1310 BFGS: 3475 15:38:16 -1008.872976 0.0359 BFGS: 3476 15:38:16 -1008.872979 0.0053 BFGS: 3477 15:38:16 -1008.872979 0.0023 BFGS: 3478 15:38:16 -1008.872979 0.0004 BFGS: 3479 15:38:16 -1008.872979 0.0001 BFGS: 3480 15:38:17 -1008.872979 0.0000 BFGS: 3481 15:38:17 -1008.872979 0.0000 BFGS: 3482 15:38:17 -1008.872979 0.0000 BFGS: 3483 15:38:17 -1008.872979 0.0000 BFGS: 3484 15:38:17 -1008.872979 0.0000 BFGS: 3485 15:38:17 -1008.872979 0.0000 BFGS: 3486 15:38:17 -1008.872979 0.0000 BFGS: 3487 15:38:17 -1008.872979 0.0000 BFGS: 3488 15:38:17 -1008.872979 0.0000 BFGS: 3489 15:38:17 -1008.872979 0.0000 BFGS: 3490 15:38:17 -1008.872979 0.0000 Minimization converged after 3490 steps. Maximum force component: 5.505424472318671e-09 eV/Angstrom Maximum stress component: 6.447239840501605e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 1.48060769e-27 3.48320763e-02] [3.58447703e-25 0.00000000e+00 1.78225849e-01] [0.00000000e+00 5.20260648e-25 2.85298213e-01] [2.97994832e-25 0.00000000e+00 3.65549243e-01] [0.00000000e+00 6.67257381e-25 4.72415226e-01] [1.64918083e-25 0.00000000e+00 5.79258624e-01] [0.00000000e+00 1.06101161e-25 7.25204045e-01] [0.00000000e+00 7.63916675e-25 9.54590601e-01] [3.33333333e-01 6.66666667e-01 8.44894558e-01] [3.33333333e-01 6.66666667e-01 9.71036381e-01] [3.33333333e-01 6.66666667e-01 1.94100504e-01] [3.33333333e-01 6.66666667e-01 4.56004633e-01] [3.33333333e-01 6.66666667e-01 6.70150002e-01] [6.66666667e-01 3.33333333e-01 5.62847501e-01] [6.66666667e-01 3.33333333e-01 7.80656177e-01] [6.66666667e-01 3.33333333e-01 3.49099791e-01] [6.66666667e-01 3.33333333e-01 1.62369358e-01] [6.66666667e-01 3.33333333e-01 8.99974270e-01] [4.48687390e-28 0.00000000e+00 8.72454777e-01] [1.96807483e-28 5.72182329e-28 6.42620162e-01] [1.60292132e-28 4.15820191e-28 5.35743708e-01] [0.00000000e+00 5.18056973e-28 4.28901618e-01] [0.00000000e+00 0.00000000e+00 3.21875976e-01] [0.00000000e+00 1.03095915e-29 2.21088337e-01] [0.00000000e+00 2.40771918e-28 9.91193148e-02] [0.00000000e+00 0.00000000e+00 9.98258340e-01] [3.33333333e-01 6.66666667e-01 1.35418350e-01] [3.33333333e-01 6.66666667e-01 3.92672241e-01] [3.33333333e-01 6.66666667e-01 9.27477755e-01] [3.33333333e-01 6.66666667e-01 6.06362083e-01] [3.33333333e-01 6.66666667e-01 7.52762601e-01] [6.66666667e-01 3.33333333e-01 6.27222871e-02] [6.66666667e-01 3.33333333e-01 2.57397422e-01] [6.66666667e-01 3.33333333e-01 4.99520544e-01] [6.66666667e-01 3.33333333e-01 6.97673720e-01] [6.66666667e-01 3.33333333e-01 8.17241134e-01]] cellpar = Cell([[2.1205063920493012, 4.683156892290688e-17, -5.580431203503745e-15], [-1.0602531960246506, 1.8364124044021999, -6.140646902676998e-15], [-3.862975659988733e-14, -3.091011205595774e-14, 48.82127794950313]]) forces = [[-1.95399426e-24 -1.56351442e-24 2.46950810e-09] [-1.57414829e-24 -1.25957563e-24 1.98944901e-09] [-1.83997155e-24 -1.47227764e-24 2.32540328e-09] [ 3.92923519e-24 3.14402965e-24 -4.96586829e-09] [-2.37808499e-24 -1.90285624e-24 3.00548485e-09] [ 3.56935294e-25 2.85606509e-25 -4.51103987e-10] [-2.41223479e-25 -1.93018166e-25 3.04864424e-10] [ 4.79688794e-26 3.83829350e-26 -6.06243010e-11] [ 6.00596210e-25 4.80575023e-25 -7.59048907e-10] [ 6.87075331e-27 5.49772438e-27 -8.68343440e-12] [ 4.35615814e-24 3.48563771e-24 -5.50542447e-09] [-2.72194116e-26 -2.17799732e-26 3.44005911e-11] [-1.66693962e-25 -1.33382385e-25 2.10672108e-10] [ 4.68767141e-26 3.75090245e-26 -5.92439946e-11] [-1.71007699e-24 -1.36834079e-24 2.16123920e-09] [-2.17324672e-24 -1.73895219e-24 2.74660499e-09] [-9.29580020e-25 -7.43815781e-25 1.17482709e-09] [-9.38450023e-25 -7.50913231e-25 1.18603723e-09] [ 1.45711005e-24 1.16592593e-24 -1.84153308e-09] [-3.96501459e-25 -3.17265901e-25 5.01108722e-10] [ 3.92635083e-25 3.14172169e-25 -4.96222296e-10] [-2.06189653e-24 -1.64985386e-24 2.60587776e-09] [-1.22338518e-24 -9.78907880e-25 1.54614560e-09] [ 6.01880584e-26 4.81602731e-26 -7.60672131e-11] [ 3.00147289e-24 2.40166834e-24 -3.79333848e-09] [-4.54864394e-27 -3.63965778e-27 5.74869297e-12] [-3.30256725e-24 -2.64259298e-24 4.17386926e-09] [-7.36852779e-25 -5.89602523e-25 9.31253456e-10] [ 3.63609590e-24 2.90947036e-24 -4.59539133e-09] [ 4.18668811e-25 3.35003402e-25 -5.29124390e-10] [-1.11498665e-24 -8.92171358e-25 1.40914875e-09] [-2.34261951e-24 -1.87447807e-24 2.96066266e-09] [ 3.17465425e-24 2.54024170e-24 -4.01220952e-09] [ 1.10792631e-24 8.86521932e-25 -1.40022571e-09] [ 2.47018207e-24 1.97654894e-24 -3.12187951e-09] [ 5.24735574e-26 4.19874128e-26 -6.63174287e-11]] stress = [-2.31762061e-12 -2.31762061e-12 -6.44723984e-11 -3.34697203e-25 -1.37403867e-25 -7.33617044e-28] energy per atom = -28.02424941961518 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0