element(s): ['H', 'Na', 'O', 'Si'] AFLOW prototype label: A10B2C8D_aP42_2_10i_2i_8i_i 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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.5982', '0.77758135', '0.92760113', '75.6374', '108.8867', '81.4582', '0.54406417', '0.074507635', '0.13735086', '0.51165812', '0.79246982', '0.31358972', '0.60762711', '0.65613842', '0.53116967', '0.6525316', '0.75165919', '0.80513845', '0.71167452', '0.49579733', '0.84161611', '0.9200071', '0.57469287', '0.22780915', '0.91030605', '0.36362147', '0.16693759', '0.90735289', '0.11265916', '0.68307077', '0.74045401', '0.041985149', '0.68089593', '0.93655339', '0.2179553', '0.92143068', '0.84911985', '0.81290795', '0.45847576', '0.66224664', '0.36857244', '0.31694668', '0.92527292', '0.82781238', '0.17701794', '0.64276628', '0.98836913', '0.84961571', '0.8462834', '0.24228974', '0.97609781', '0.65609498', '0.11045359', '0.15382094', '0.61221322', '0.67424087', '0.40488199', '0.6266302', '0.6305916', '0.75649915', '0.92016843', '0.41912053', '0.27301321', '0.80570759', '0.079040388', '0.59924308', '0.7665055', '0.029889997', '0.033630228'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si'] representative atom coordinates = [[0.54406417 0.07450764 0.13735086] [0.51165812 0.79246982 0.31358972] [0.60762711 0.65613842 0.53116967] [0.6525316 0.75165919 0.80513845] [0.71167452 0.49579733 0.84161611] [0.9200071 0.57469287 0.22780915] [0.91030605 0.36362147 0.16693759] [0.90735289 0.11265916 0.68307077] [0.74045401 0.04198515 0.68089593] [0.93655339 0.2179553 0.92143068] [0.84911985 0.81290795 0.45847576] [0.66224664 0.36857244 0.31694668] [0.92527292 0.82781238 0.17701794] [0.64276628 0.98836913 0.84961571] [0.8462834 0.24228974 0.97609781] [0.65609498 0.11045359 0.15382094] [0.61221322 0.67424087 0.40488199] [0.6266302 0.6305916 0.75649915] [0.92016843 0.41912053 0.27301321] [0.80570759 0.07904039 0.59924308] [0.7665055 0.02989 0.03363023]] spacegroup = 2 cell = [[8.5982, 0, 0], [0.99304793071367, 6.6116395430563, 0], [-2.5817165101463, 2.3883901832614, 7.1583603348629]] ========================================= Step Time Energy fmax BFGS: 0 13:21:50 -206.485901 34.9800 BFGS: 1 13:21:51 -215.115999 14.6497 BFGS: 2 13:21:51 -217.264233 17.0399 BFGS: 3 13:21:52 -218.989147 8.9569 BFGS: 4 13:21:52 -220.708952 9.1656 BFGS: 5 13:21:52 -222.487210 6.6940 BFGS: 6 13:21:53 -223.292444 8.5642 BFGS: 7 13:21:53 -224.227732 5.2142 BFGS: 8 13:21:53 -225.091441 4.7654 BFGS: 9 13:21:53 -225.982098 4.4794 BFGS: 10 13:21:53 -226.876840 4.5209 BFGS: 11 13:21:54 -227.792375 8.8161 BFGS: 12 13:21:54 -228.745577 9.7467 BFGS: 13 13:21:54 -229.143457 19.0446 BFGS: 14 13:21:54 -230.393311 19.2754 BFGS: 15 13:21:54 -231.647441 19.8011 BFGS: 16 13:21:55 -232.945411 19.7129 BFGS: 17 13:21:55 -233.931355 13.1094 BFGS: 18 13:21:55 -235.492757 12.8543 BFGS: 19 13:21:56 -236.834703 12.2322 BFGS: 20 13:21:56 -238.956736 13.0282 BFGS: 21 13:21:56 -241.244492 13.2035 BFGS: 22 13:21:56 -244.306427 12.8885 BFGS: 23 13:21:57 -246.550875 17.2202 BFGS: 24 13:21:57 -248.413027 16.7208 BFGS: 25 13:21:57 -249.987497 18.6410 BFGS: 26 13:21:57 -251.504324 18.6285 BFGS: 27 13:21:57 -252.936325 18.4766 BFGS: 28 13:21:58 -254.427585 18.5110 BFGS: 29 13:21:58 -255.912253 18.3498 BFGS: 30 13:21:58 -257.407558 18.1998 BFGS: 31 13:21:59 -258.900206 18.0048 BFGS: 32 13:21:59 -260.390096 19.6117 BFGS: 33 13:22:00 -261.875678 22.2218 BFGS: 34 13:22:00 -263.360305 24.9136 BFGS: 35 13:22:00 -264.844125 27.7042 BFGS: 36 13:22:00 -266.326555 30.5428 BFGS: 37 13:22:01 -267.807023 33.4441 BFGS: 38 13:22:01 -269.284957 36.2898 BFGS: 39 13:22:01 -270.760913 39.0995 BFGS: 40 13:22:01 -272.237743 41.6629 BFGS: 41 13:22:02 -273.713969 44.1538 BFGS: 42 13:22:02 -275.190286 46.4332 BFGS: 43 13:22:02 -276.658488 49.3276 BFGS: 44 13:22:03 -278.126597 51.9665 BFGS: 45 13:22:03 -279.586285 55.5933 BFGS: 46 13:22:04 -281.050917 57.4184 BFGS: 47 13:22:04 -282.524429 59.9735 BFGS: 48 13:22:04 -283.992865 61.3406 BFGS: 49 13:22:05 -285.475308 63.1169 BFGS: 50 13:22:05 -286.943818 63.9071 BFGS: 51 13:22:05 -288.426177 64.7226 BFGS: 52 13:22:06 -289.906027 65.2281 BFGS: 53 13:22:06 -291.392158 65.0289 BFGS: 54 13:22:06 -292.879335 65.2810 BFGS: 55 13:22:07 -294.367543 64.0867 BFGS: 56 13:22:07 -295.855212 63.7389 BFGS: 57 13:22:08 -297.344846 62.5413 BFGS: 58 13:22:08 -298.834082 60.6303 BFGS: 59 13:22:08 -300.453892 61.4617 BFGS: 60 13:22:09 -302.076632 60.4133 BFGS: 61 13:22:09 -303.636643 58.8167 BFGS: 62 13:22:10 -305.110673 56.3175 BFGS: 63 13:22:10 -306.581425 53.4033 BFGS: 64 13:22:10 -308.043373 50.0128 BFGS: 65 13:22:10 -309.482743 50.8094 BFGS: 66 13:22:11 -310.904279 57.2089 BFGS: 67 13:22:11 -312.334952 58.6924 BFGS: 68 13:22:11 -313.787703 63.9635 BFGS: 69 13:22:12 -315.369027 59.9691 BFGS: 70 13:22:12 -317.028537 58.0828 BFGS: 71 13:22:12 -318.746070 54.8921 BFGS: 72 13:22:13 -320.525016 53.0003 BFGS: 73 13:22:13 -322.341045 53.1873 BFGS: 74 13:22:13 -324.203263 52.8329 BFGS: 75 13:22:14 -326.007234 52.4631 BFGS: 76 13:22:14 -327.798485 51.4682 BFGS: 77 13:22:15 -329.542928 50.8132 BFGS: 78 13:22:15 -331.287344 49.8454 BFGS: 79 13:22:15 -333.031944 48.9561 BFGS: 80 13:22:16 -334.778378 47.9689 BFGS: 81 13:22:16 -336.525597 46.6427 BFGS: 82 13:22:16 -338.274538 45.8876 BFGS: 83 13:22:17 -340.017498 43.9520 BFGS: 84 13:22:17 -341.769067 43.0628 BFGS: 85 13:22:17 -343.526744 41.2876 BFGS: 86 13:22:18 -345.301002 40.3995 BFGS: 87 13:22:18 -347.086906 38.7820 BFGS: 88 13:22:19 -348.883067 38.0999 BFGS: 89 13:22:19 -350.683389 38.1424 BFGS: 90 13:22:19 -352.482820 38.1791 BFGS: 91 13:22:20 -354.274753 38.1087 BFGS: 92 13:22:20 -356.064393 37.7574 BFGS: 93 13:22:20 -357.829986 37.9023 BFGS: 94 13:22:21 -359.600141 37.3346 BFGS: 95 13:22:21 -361.355137 37.2165 BFGS: 96 13:22:21 -363.109663 36.7205 BFGS: 97 13:22:22 -364.856055 36.3697 BFGS: 98 13:22:22 -366.598442 35.8665 BFGS: 99 13:22:22 -368.334580 36.2552 BFGS: 100 13:22:23 -370.065383 36.9391 BFGS: 101 13:22:23 -371.790688 37.4934 BFGS: 102 13:22:23 -373.512316 37.9312 BFGS: 103 13:22:24 -375.229884 38.2204 BFGS: 104 13:22:24 -376.943582 38.4180 BFGS: 105 13:22:24 -378.655844 38.4288 BFGS: 106 13:22:25 -380.365533 38.4058 BFGS: 107 13:22:25 -382.077749 38.1343 BFGS: 108 13:22:25 -383.788795 37.9026 BFGS: 109 13:22:26 -385.509442 37.2982 BFGS: 110 13:22:26 -387.229973 36.8592 BFGS: 111 13:22:27 -388.962151 35.8979 BFGS: 112 13:22:27 -390.698045 35.1028 BFGS: 113 13:22:27 -392.450041 33.8396 BFGS: 114 13:22:28 -394.221399 32.6232 BFGS: 115 13:22:28 -396.021023 30.8752 BFGS: 116 13:22:29 -397.869432 29.2821 BFGS: 117 13:22:29 -399.740321 29.0678 BFGS: 118 13:22:29 -401.662780 29.6998 BFGS: 119 13:22:30 -403.575247 30.3618 BFGS: 120 13:22:30 -405.522040 31.1035 BFGS: 121 13:22:31 -407.478749 31.8517 BFGS: 122 13:22:31 -409.479252 32.6975 BFGS: 123 13:22:31 -411.537593 33.5547 BFGS: 124 13:22:32 -413.679431 34.4797 BFGS: 125 13:22:32 -415.668831 35.0235 BFGS: 126 13:22:33 -417.979477 35.8499 BFGS: 127 13:22:33 -419.925183 36.1411 BFGS: 128 13:22:34 -421.905586 36.2551 BFGS: 129 13:22:34 -423.882826 36.1527 BFGS: 130 13:22:35 -425.863251 35.8191 BFGS: 131 13:22:35 -427.866112 35.2025 BFGS: 132 13:22:35 -429.798310 34.2928 BFGS: 133 13:22:36 -431.690331 33.4838 BFGS: 134 13:22:36 -433.537314 32.6265 BFGS: 135 13:22:36 -435.429685 31.5810 BFGS: 136 13:22:37 -437.382216 30.3068 BFGS: 137 13:22:37 -439.501749 30.6400 BFGS: 138 13:22:38 -441.669954 32.0041 BFGS: 139 13:22:38 -443.952650 32.1509 BFGS: 140 13:22:38 -446.194885 32.2854 BFGS: 141 13:22:38 -448.519184 32.0283 BFGS: 142 13:22:39 -450.819063 31.3086 BFGS: 143 13:22:39 -453.208083 30.7657 BFGS: 144 13:22:40 -455.592932 29.9857 BFGS: 145 13:22:40 -457.980862 29.5264 BFGS: 146 13:22:40 -460.351200 29.9915 BFGS: 147 13:22:40 -462.677549 30.5135 BFGS: 148 13:22:41 -464.989959 30.5619 BFGS: 149 13:22:41 -467.296288 31.9683 BFGS: 150 13:22:41 -469.614614 33.9080 BFGS: 151 13:22:41 -471.955702 36.3152 BFGS: 152 13:22:42 -474.315112 39.3433 BFGS: 153 13:22:42 -476.715080 42.7724 BFGS: 154 13:22:43 -479.144562 47.0947 BFGS: 155 13:22:43 -481.603899 50.9886 BFGS: 156 13:22:43 -483.977349 55.9743 BFGS: 157 13:22:44 -486.202100 56.9692 BFGS: 158 13:22:44 -488.273021 59.8226 BFGS: 159 13:22:44 -490.359027 58.4570 BFGS: 160 13:22:45 -492.326986 58.9029 BFGS: 161 13:22:45 -494.285817 57.9800 BFGS: 162 13:22:46 -496.178329 56.5958 BFGS: 163 13:22:46 -498.057858 55.2179 BFGS: 164 13:22:47 -499.919249 53.2300 BFGS: 165 13:22:47 -501.765871 51.0337 BFGS: 166 13:22:48 -503.611978 48.5301 BFGS: 167 13:22:48 -505.437364 45.9414 BFGS: 168 13:22:48 -507.259707 43.2419 BFGS: 169 13:22:49 -509.036527 40.8875 BFGS: 170 13:22:49 -510.787716 38.6023 BFGS: 171 13:22:49 -512.508143 37.0070 BFGS: 172 13:22:49 -514.300523 34.7936 BFGS: 173 13:22:49 -516.087838 33.0214 BFGS: 174 13:22:49 -517.891657 31.3644 BFGS: 175 13:22:50 -519.708561 29.8310 BFGS: 176 13:22:50 -521.572849 28.5437 BFGS: 177 13:22:50 -523.443296 27.2657 BFGS: 178 13:22:51 -525.372286 26.3048 BFGS: 179 13:22:51 -527.261240 25.3899 BFGS: 180 13:22:52 -529.251227 24.2741 BFGS: 181 13:22:52 -531.210666 24.4557 BFGS: 182 13:22:52 -533.173247 25.5641 BFGS: 183 13:22:53 -535.110224 26.6405 BFGS: 184 13:22:53 -537.024215 27.5708 BFGS: 185 13:22:54 -538.903940 28.4786 BFGS: 186 13:22:54 -540.750153 29.2034 BFGS: 187 13:22:54 -542.572791 29.8608 BFGS: 188 13:22:55 -544.358659 30.3919 BFGS: 189 13:22:55 -546.100624 30.8413 BFGS: 190 13:22:55 -547.781776 31.2076 BFGS: 191 13:22:56 -549.398101 31.4925 BFGS: 192 13:22:56 -550.980929 31.7018 BFGS: 193 13:22:56 -552.526384 31.9382 BFGS: 194 13:22:57 -554.068585 32.0586 BFGS: 195 13:22:57 -555.589796 32.3091 BFGS: 196 13:22:58 -557.111673 32.1209 BFGS: 197 13:22:58 -558.627693 32.2552 BFGS: 198 13:22:58 -560.155048 31.8154 BFGS: 199 13:22:58 -561.665571 31.8332 BFGS: 200 13:22:59 -563.165142 31.3586 BFGS: 201 13:22:59 -564.631625 31.5482 BFGS: 202 13:22:59 -566.066485 31.4294 BFGS: 203 13:22:59 -567.459043 31.5903 BFGS: 204 13:22:59 -568.816831 31.5031 BFGS: 205 13:23:00 -570.138994 31.6149 BFGS: 206 13:23:00 -571.476296 31.5113 BFGS: 207 13:23:00 -572.791237 31.5997 BFGS: 208 13:23:01 -574.096079 31.5859 BFGS: 209 13:23:01 -575.397927 31.6361 BFGS: 210 13:23:02 -576.693277 31.6644 BFGS: 211 13:23:02 -577.997564 31.7611 BFGS: 212 13:23:02 -579.300493 31.7459 BFGS: 213 13:23:02 -580.596526 31.7262 BFGS: 214 13:23:03 -581.891109 31.6877 BFGS: 215 13:23:03 -583.180382 31.6424 BFGS: 216 13:23:04 -584.466173 31.5651 BFGS: 217 13:23:04 -585.748361 31.4796 BFGS: 218 13:23:04 -587.028303 31.3681 BFGS: 219 13:23:04 -588.306341 31.2469 BFGS: 220 13:23:05 -589.583166 31.0997 BFGS: 221 13:23:05 -590.860094 30.9434 BFGS: 222 13:23:06 -592.136037 30.7613 BFGS: 223 13:23:06 -593.412994 30.5665 BFGS: 224 13:23:06 -594.689050 30.3439 BFGS: 225 13:23:07 -595.965509 30.0989 BFGS: 226 13:23:07 -597.240309 29.8203 BFGS: 227 13:23:07 -598.514986 29.5099 BFGS: 228 13:23:08 -599.789525 29.1565 BFGS: 229 13:23:08 -601.066669 28.7550 BFGS: 230 13:23:09 -602.351539 28.3131 BFGS: 231 13:23:09 -603.645359 27.8199 BFGS: 232 13:23:09 -604.950827 27.3004 BFGS: 233 13:23:10 -606.261496 27.0609 BFGS: 234 13:23:10 -607.509135 27.2071 BFGS: 235 13:23:10 -609.346899 26.7904 BFGS: 236 13:23:11 -611.204361 25.5729 BFGS: 237 13:23:11 -613.390685 25.3851 BFGS: 238 13:23:12 -616.209320 26.4703 BFGS: 239 13:23:12 -618.427946 29.2593 BFGS: 240 13:23:12 -621.657781 27.0306 BFGS: 241 13:23:13 -624.821654 26.4112 BFGS: 242 13:23:13 -627.609137 25.6864 BFGS: 243 13:23:14 -630.153281 25.3742 BFGS: 244 13:23:14 -632.439896 25.0703 BFGS: 245 13:23:14 -634.522424 25.2774 BFGS: 246 13:23:15 -636.437764 25.2169 BFGS: 247 13:23:15 -638.343672 26.5917 BFGS: 248 13:23:16 -640.067797 27.1939 BFGS: 249 13:23:16 -641.911263 29.0174 BFGS: 250 13:23:17 -643.518447 28.8323 BFGS: 251 13:23:17 -645.230062 30.3386 BFGS: 252 13:23:17 -646.769145 30.0779 BFGS: 253 13:23:18 -648.345439 31.0344 BFGS: 254 13:23:18 -649.822577 30.8990 BFGS: 255 13:23:19 -651.316461 31.5547 BFGS: 256 13:23:19 -652.750659 31.5191 BFGS: 257 13:23:19 -654.170391 31.9046 BFGS: 258 13:23:20 -655.577963 31.7814 BFGS: 259 13:23:20 -656.943487 32.0910 BFGS: 260 13:23:20 -658.325401 31.9499 BFGS: 261 13:23:21 -659.667005 31.9952 BFGS: 262 13:23:21 -661.021935 31.9192 BFGS: 263 13:23:22 -662.353338 31.7935 BFGS: 264 13:23:22 -663.699118 31.7045 BFGS: 265 13:23:22 -665.030263 31.4728 BFGS: 266 13:23:23 -666.376084 31.5365 BFGS: 267 13:23:23 -667.716514 31.6014 BFGS: 268 13:23:24 -669.073525 31.6291 BFGS: 269 13:23:24 -670.423877 31.6674 BFGS: 270 13:23:24 -671.770880 32.2207 BFGS: 271 13:23:25 -673.115988 32.7209 BFGS: 272 13:23:25 -674.456108 33.2183 BFGS: 273 13:23:25 -675.808352 33.6731 BFGS: 274 13:23:26 -677.153852 34.1471 BFGS: 275 13:23:26 -678.515920 34.5542 BFGS: 276 13:23:27 -679.882192 35.0388 BFGS: 277 13:23:27 -681.265073 35.3955 BFGS: 278 13:23:28 -682.661676 35.9145 BFGS: 279 13:23:28 -684.067652 36.2746 BFGS: 280 13:23:29 -685.483784 36.7218 BFGS: 281 13:23:29 -686.902427 37.1160 BFGS: 282 13:23:30 -688.327412 37.5121 BFGS: 283 13:23:30 -689.753294 37.8485 BFGS: 284 13:23:31 -691.185317 38.1458 BFGS: 285 13:23:31 -692.606555 38.3234 BFGS: 286 13:23:32 -694.027256 38.3883 BFGS: 287 13:23:32 -695.418465 38.2427 BFGS: 288 13:23:33 -696.807155 37.9930 BFGS: 289 13:23:33 -698.148694 37.5309 BFGS: 290 13:23:34 -699.509296 37.1838 BFGS: 291 13:23:35 -700.802377 36.4909 BFGS: 292 13:23:35 -702.154900 36.2271 BFGS: 293 13:23:36 -703.441670 35.4061 BFGS: 294 13:23:37 -704.764113 34.9436 BFGS: 295 13:23:38 -706.103995 34.2461 BFGS: 296 13:23:38 -707.432000 33.5045 BFGS: 297 13:23:39 -708.828554 33.4284 BFGS: 298 13:23:39 -710.223934 33.3421 BFGS: 299 13:23:40 -711.685500 33.1670 BFGS: 300 13:23:40 -713.167427 32.9970 BFGS: 301 13:23:40 -714.688897 32.7717 BFGS: 302 13:23:41 -716.200083 32.5171 BFGS: 303 13:23:41 -717.688149 32.4090 BFGS: 304 13:23:42 -719.075614 32.1464 BFGS: 305 13:23:42 -720.412172 32.2423 BFGS: 306 13:23:42 -721.673180 31.8834 BFGS: 307 13:23:43 -722.924145 31.8784 BFGS: 308 13:23:44 -724.133370 31.4266 BFGS: 309 13:23:44 -725.335818 31.2279 BFGS: 310 13:23:45 -726.517977 30.7805 BFGS: 311 13:23:46 -727.691297 30.4354 BFGS: 312 13:23:46 -728.858743 29.9710 BFGS: 313 13:23:47 -730.018885 29.5402 BFGS: 314 13:23:47 -731.180640 29.0426 BFGS: 315 13:23:48 -732.334534 28.5385 BFGS: 316 13:23:49 -733.497276 27.9892 BFGS: 317 13:23:50 -734.650853 27.4207 BFGS: 318 13:23:50 -735.816096 26.8062 BFGS: 319 13:23:51 -736.976090 26.1760 BFGS: 320 13:23:51 -738.147261 25.4686 BFGS: 321 13:23:52 -739.316991 24.7743 BFGS: 322 13:23:52 -740.496860 25.3148 BFGS: 323 13:23:52 -741.676347 25.7888 BFGS: 324 13:23:53 -742.863809 26.6009 BFGS: 325 13:23:53 -744.041108 26.8912 BFGS: 326 13:23:54 -745.221028 27.6251 BFGS: 327 13:23:55 -746.367505 27.6888 BFGS: 328 13:23:56 -747.510557 28.1877 BFGS: 329 13:23:56 -748.601888 27.9519 BFGS: 330 13:23:57 -749.694884 28.0626 BFGS: 331 13:23:58 -750.743007 27.6297 BFGS: 332 13:23:58 -751.802521 27.3269 BFGS: 333 13:23:59 -752.835484 26.8603 BFGS: 334 13:23:59 -753.876585 26.2683 BFGS: 335 13:24:00 -754.909857 25.7567 BFGS: 336 13:24:00 -755.948450 25.0333 BFGS: 337 13:24:01 -756.992249 24.4089 BFGS: 338 13:24:01 -758.046682 23.6311 BFGS: 339 13:24:02 -759.114098 22.9113 BFGS: 340 13:24:02 -760.204941 22.1360 BFGS: 341 13:24:03 -761.314160 21.4006 BFGS: 342 13:24:04 -762.460815 20.7062 BFGS: 343 13:24:04 -763.625739 20.0665 BFGS: 344 13:24:05 -764.834307 20.7505 BFGS: 345 13:24:05 -766.045889 22.1949 BFGS: 346 13:24:05 -767.290431 23.6901 BFGS: 347 13:24:06 -768.465120 24.2297 BFGS: 348 13:24:06 -769.569433 24.8010 BFGS: 349 13:24:07 -770.646365 24.3617 BFGS: 350 13:24:07 -771.799348 24.5661 BFGS: 351 13:24:08 -773.018303 24.0255 BFGS: 352 13:24:08 -774.317968 23.6236 BFGS: 353 13:24:09 -775.646323 23.0877 BFGS: 354 13:24:09 -777.033960 21.9898 BFGS: 355 13:24:10 -778.452986 21.1633 BFGS: 356 13:24:10 -779.994202 19.1879 BFGS: 357 13:24:10 -781.600917 18.2326 BFGS: 358 13:24:11 -782.999111 17.5985 BFGS: 359 13:24:11 -784.296307 16.8327 BFGS: 360 13:24:12 -785.565996 16.0967 BFGS: 361 13:24:13 -786.830774 15.4141 BFGS: 362 13:24:13 -788.183806 15.0390 BFGS: 363 13:24:14 -789.513807 15.3295 BFGS: 364 13:24:15 -790.989428 15.6443 BFGS: 365 13:24:15 -792.357368 15.2314 BFGS: 366 13:24:16 -793.666654 15.3523 BFGS: 367 13:24:17 -794.870457 16.0530 BFGS: 368 13:24:18 -795.981081 17.0554 BFGS: 369 13:24:18 -796.995570 17.5920 BFGS: 370 13:24:19 -797.976940 18.4920 BFGS: 371 13:24:20 -798.904410 18.6756 BFGS: 372 13:24:21 -799.811662 19.5036 BFGS: 373 13:24:21 -800.693446 19.5002 BFGS: 374 13:24:22 -801.552942 20.0240 BFGS: 375 13:24:22 -802.404834 20.0674 BFGS: 376 13:24:22 -803.240975 20.2739 BFGS: 377 13:24:22 -804.078385 20.3121 BFGS: 378 13:24:23 -804.905903 20.3093 BFGS: 379 13:24:23 -805.738813 20.3191 BFGS: 380 13:24:24 -806.564776 20.1617 BFGS: 381 13:24:24 -807.399354 20.1444 BFGS: 382 13:24:25 -808.229371 19.8514 BFGS: 383 13:24:25 -809.069535 19.8111 BFGS: 384 13:24:26 -809.907275 19.4147 BFGS: 385 13:24:26 -810.754217 19.3302 BFGS: 386 13:24:27 -811.603020 18.8759 BFGS: 387 13:24:27 -812.460456 18.7227 BFGS: 388 13:24:28 -813.325704 18.2669 BFGS: 389 13:24:28 -814.195415 18.0744 BFGS: 390 13:24:28 -815.081566 17.7114 BFGS: 391 13:24:29 -815.968543 17.5651 BFGS: 392 13:24:30 -816.877056 17.4524 BFGS: 393 13:24:30 -817.780487 17.7706 BFGS: 394 13:24:30 -818.703558 18.5395 BFGS: 395 13:24:31 -819.597266 19.8382 BFGS: 396 13:24:31 -820.474429 20.4136 BFGS: 397 13:24:31 -821.329334 21.4905 BFGS: 398 13:24:31 -822.170509 21.7596 BFGS: 399 13:24:32 -822.992356 22.3874 BFGS: 400 13:24:32 -823.800438 22.3172 BFGS: 401 13:24:32 -824.591084 22.4347 BFGS: 402 13:24:33 -825.369801 22.0436 BFGS: 403 13:24:33 -826.134526 22.0199 BFGS: 404 13:24:33 -826.891541 22.3788 BFGS: 405 13:24:34 -827.639354 22.6009 BFGS: 406 13:24:35 -828.382807 22.8108 BFGS: 407 13:24:36 -829.120500 22.9257 BFGS: 408 13:24:36 -829.856638 23.1000 BFGS: 409 13:24:36 -830.587308 23.8265 BFGS: 410 13:24:37 -831.318166 24.5501 BFGS: 411 13:24:37 -832.041902 25.2825 BFGS: 412 13:24:38 -832.767517 25.9968 BFGS: 413 13:24:38 -833.481760 26.7235 BFGS: 414 13:24:38 -834.201752 27.4147 BFGS: 415 13:24:39 -834.904227 28.1198 BFGS: 416 13:24:40 -835.613976 28.7865 BFGS: 417 13:24:40 -836.310183 29.4438 BFGS: 418 13:24:40 -837.008255 30.0884 BFGS: 419 13:24:41 -837.703622 30.6794 BFGS: 420 13:24:41 -838.394431 31.3103 BFGS: 421 13:24:42 -839.091984 31.8421 BFGS: 422 13:24:42 -839.784191 32.4350 BFGS: 423 13:24:43 -840.486585 32.9447 BFGS: 424 13:24:43 -841.188560 33.4901 BFGS: 425 13:24:43 -841.898833 33.9801 BFGS: 426 13:24:44 -842.611033 34.4916 BFGS: 427 13:24:44 -843.328421 34.9563 BFGS: 428 13:24:44 -844.046064 35.4432 BFGS: 429 13:24:45 -844.765066 35.8709 BFGS: 430 13:24:45 -845.477677 36.3361 BFGS: 431 13:24:46 -846.184271 36.7094 BFGS: 432 13:24:46 -846.880869 37.1327 BFGS: 433 13:24:47 -847.568645 37.4134 BFGS: 434 13:24:47 -848.245418 37.7799 BFGS: 435 13:24:48 -848.916039 37.9354 BFGS: 436 13:24:48 -849.581315 38.2219 BFGS: 437 13:24:49 -850.248552 38.2513 BFGS: 438 13:24:49 -850.917838 38.4279 BFGS: 439 13:24:50 -851.594954 38.3641 BFGS: 440 13:24:50 -852.279780 38.4091 BFGS: 441 13:24:51 -852.974286 38.2892 BFGS: 442 13:24:51 -853.679657 38.2188 BFGS: 443 13:24:52 -854.393332 38.0520 BFGS: 444 13:24:52 -855.117990 37.8871 BFGS: 445 13:24:52 -855.848566 37.6822 BFGS: 446 13:24:53 -856.591052 37.4481 BFGS: 447 13:24:53 -857.334939 37.2132 BFGS: 448 13:24:54 -858.091113 36.9233 BFGS: 449 13:24:54 -858.844731 36.6592 BFGS: 450 13:24:55 -859.611602 36.3203 BFGS: 451 13:24:55 -860.371662 36.0295 BFGS: 452 13:24:56 -861.145266 35.6569 BFGS: 453 13:24:56 -861.908090 35.3343 BFGS: 454 13:24:57 -862.686885 34.9392 BFGS: 455 13:24:57 -863.451738 34.5652 BFGS: 456 13:24:58 -864.229926 34.1731 BFGS: 457 13:24:58 -864.997745 33.7369 BFGS: 458 13:24:58 -865.770376 33.3431 BFGS: 459 13:24:59 -866.540456 32.8651 BFGS: 460 13:24:59 -867.310035 32.4445 BFGS: 461 13:24:59 -868.080153 31.9471 BFGS: 462 13:25:00 -868.847433 31.4941 BFGS: 463 13:25:00 -869.616888 30.9826 BFGS: 464 13:25:00 -870.382610 30.4992 BFGS: 465 13:25:01 -871.151989 29.9749 BFGS: 466 13:25:01 -871.918556 29.4697 BFGS: 467 13:25:02 -872.689597 28.9334 BFGS: 468 13:25:02 -873.458240 28.4131 BFGS: 469 13:25:03 -874.232490 28.0894 BFGS: 470 13:25:03 -875.005389 27.8931 BFGS: 471 13:25:04 -875.785518 27.7442 BFGS: 472 13:25:04 -876.563992 27.5527 BFGS: 473 13:25:04 -877.350821 27.4213 BFGS: 474 13:25:04 -878.135862 27.3236 BFGS: 475 13:25:05 -878.929729 27.2422 BFGS: 476 13:25:05 -879.722872 27.1219 BFGS: 477 13:25:05 -880.524552 27.0096 BFGS: 478 13:25:06 -881.325959 26.8639 BFGS: 479 13:25:06 -882.134625 26.7216 BFGS: 480 13:25:07 -882.942677 26.5434 BFGS: 481 13:25:07 -883.757006 26.3578 BFGS: 482 13:25:08 -884.569361 26.1431 BFGS: 483 13:25:08 -885.386806 25.9071 BFGS: 484 13:25:08 -886.201697 25.6432 BFGS: 485 13:25:09 -887.018926 25.3530 BFGS: 486 13:25:09 -887.831564 25.0360 BFGS: 487 13:25:10 -888.643905 24.6886 BFGS: 488 13:25:10 -889.448984 24.4238 BFGS: 489 13:25:11 -890.252468 24.1947 BFGS: 490 13:25:11 -891.044562 23.9435 BFGS: 491 13:25:12 -891.832765 23.7171 BFGS: 492 13:25:12 -892.606154 23.4642 BFGS: 493 13:25:12 -893.377105 23.2527 BFGS: 494 13:25:13 -894.129948 23.0339 BFGS: 495 13:25:13 -894.884869 22.8565 BFGS: 496 13:25:14 -895.622366 22.6990 BFGS: 497 13:25:14 -896.366884 22.5814 BFGS: 498 13:25:15 -897.099258 22.5170 BFGS: 499 13:25:15 -897.840483 22.4716 BFGS: 500 13:25:15 -898.576073 22.5028 BFGS: 501 13:25:16 -899.321786 22.5185 BFGS: 502 13:25:16 -900.068680 22.6216 BFGS: 503 13:25:17 -900.822976 22.6712 BFGS: 504 13:25:17 -901.580497 22.7816 BFGS: 505 13:25:17 -902.339776 22.7891 BFGS: 506 13:25:18 -903.099165 22.7984 BFGS: 507 13:25:18 -903.852371 22.6554 BFGS: 508 13:25:19 -904.603714 22.4670 BFGS: 509 13:25:19 -905.342733 22.1520 BFGS: 510 13:25:19 -906.088109 21.7811 BFGS: 511 13:25:20 -906.822700 21.4479 BFGS: 512 13:25:20 -907.573598 21.2980 BFGS: 513 13:25:21 -908.320412 21.8162 BFGS: 514 13:25:21 -909.088029 22.1252 BFGS: 515 13:25:22 -909.855238 22.4345 BFGS: 516 13:25:22 -910.646323 22.7163 BFGS: 517 13:25:22 -911.435765 22.8269 BFGS: 518 13:25:22 -912.251012 23.0504 BFGS: 519 13:25:23 -913.059891 22.9842 BFGS: 520 13:25:23 -913.891884 23.0728 BFGS: 521 13:25:23 -914.720057 22.8508 BFGS: 522 13:25:24 -915.564136 23.4168 BFGS: 523 13:25:24 -916.422095 23.9651 BFGS: 524 13:25:25 -917.316643 24.8135 BFGS: 525 13:25:25 -918.293189 25.1495 BFGS: 526 13:25:25 -919.273454 25.6992 BFGS: 527 13:25:26 -920.221110 26.0535 BFGS: 528 13:25:26 -921.176988 26.2971 BFGS: 529 13:25:27 -922.124580 26.7034 BFGS: 530 13:25:27 -923.076129 26.8737 BFGS: 531 13:25:27 -924.032816 27.1946 BFGS: 532 13:25:28 -924.995737 27.3717 BFGS: 533 13:25:28 -925.961793 27.5586 BFGS: 534 13:25:29 -926.934910 27.8071 BFGS: 535 13:25:29 -927.918147 29.3068 BFGS: 536 13:25:29 -928.915869 30.5993 BFGS: 537 13:25:29 -929.928233 31.3174 BFGS: 538 13:25:30 -930.932715 31.0814 BFGS: 539 13:25:30 -931.916738 29.7507 BFGS: 540 13:25:31 -932.939526 28.0412 BFGS: 541 13:25:31 -933.998327 26.7668 BFGS: 542 13:25:32 -935.059920 25.9912 BFGS: 543 13:25:32 -936.196521 25.4496 BFGS: 544 13:25:32 -937.447078 24.5414 BFGS: 545 13:25:32 -938.403578 23.6118 BFGS: 546 13:25:33 -939.260605 22.9108 BFGS: 547 13:25:33 -940.078494 22.3792 BFGS: 548 13:25:33 -940.878707 21.8093 BFGS: 549 13:25:34 -941.678754 21.2213 BFGS: 550 13:25:34 -942.479381 21.6087 BFGS: 551 13:25:34 -943.288509 21.9120 BFGS: 552 13:25:35 -944.085633 22.7559 BFGS: 553 13:25:35 -944.860439 22.6440 BFGS: 554 13:25:36 -945.610157 23.1437 BFGS: 555 13:25:36 -946.309810 22.9763 BFGS: 556 13:25:36 -946.988223 22.6396 BFGS: 557 13:25:37 -947.633415 22.5924 BFGS: 558 13:25:37 -948.263963 21.8467 BFGS: 559 13:25:37 -948.895628 21.6031 BFGS: 560 13:25:38 -949.525276 20.8488 BFGS: 561 13:25:38 -950.165027 20.4887 BFGS: 562 13:25:38 -950.805511 19.7624 BFGS: 563 13:25:39 -951.450219 19.4494 BFGS: 564 13:25:39 -952.093891 18.7886 BFGS: 565 13:25:40 -952.731505 18.6018 BFGS: 566 13:25:40 -953.365197 18.0887 BFGS: 567 13:25:40 -953.981907 18.0386 BFGS: 568 13:25:41 -954.590483 18.2558 BFGS: 569 13:25:41 -955.172627 18.6263 BFGS: 570 13:25:41 -955.739323 18.8560 BFGS: 571 13:25:42 -956.271847 18.8516 BFGS: 572 13:25:42 -956.781441 18.6210 BFGS: 573 13:25:42 -957.254050 18.1866 BFGS: 574 13:25:42 -957.702411 17.5945 BFGS: 575 13:25:43 -958.117130 17.0285 BFGS: 576 13:25:43 -958.508813 16.3861 BFGS: 577 13:25:44 -958.868335 16.0670 BFGS: 578 13:25:44 -959.202847 15.5118 BFGS: 579 13:25:44 -959.507400 15.5386 BFGS: 580 13:25:45 -959.786576 15.1155 BFGS: 581 13:25:45 -960.040673 15.3274 BFGS: 582 13:25:45 -960.274058 15.0716 BFGS: 583 13:25:46 -960.488587 15.3172 BFGS: 584 13:25:46 -960.688868 15.2145 BFGS: 585 13:25:46 -960.876145 15.3923 BFGS: 586 13:25:47 -961.055671 15.4022 BFGS: 587 13:25:47 -961.227607 15.4754 BFGS: 588 13:25:47 -961.396648 15.5209 BFGS: 589 13:25:48 -961.562489 15.5194 BFGS: 590 13:25:48 -961.728367 15.5522 BFGS: 591 13:25:48 -961.893428 15.5016 BFGS: 592 13:25:49 -962.059878 15.5058 BFGS: 593 13:25:49 -962.227360 15.4335 BFGS: 594 13:25:49 -962.397785 15.4048 BFGS: 595 13:25:50 -962.570400 15.3238 BFGS: 596 13:25:50 -962.746238 15.2726 BFGS: 597 13:25:50 -962.925239 15.1883 BFGS: 598 13:25:50 -963.108202 15.1228 BFGS: 599 13:25:51 -963.294831 15.1420 BFGS: 600 13:25:51 -963.485602 15.3599 BFGS: 601 13:25:51 -963.680207 15.5473 BFGS: 602 13:25:52 -963.879162 15.7528 BFGS: 603 13:25:52 -964.081899 15.9339 BFGS: 604 13:25:53 -964.289400 16.1224 BFGS: 605 13:25:53 -964.501626 16.2890 BFGS: 606 13:25:53 -964.718510 16.4611 BFGS: 607 13:25:54 -964.940222 16.6109 BFGS: 608 13:25:54 -965.166485 16.7648 BFGS: 609 13:25:55 -965.397394 16.8978 BFGS: 610 13:25:55 -965.632531 17.0287 BFGS: 611 13:25:55 -965.872980 17.1423 BFGS: 612 13:25:55 -966.116306 17.2491 BFGS: 613 13:25:56 -966.364449 17.3482 BFGS: 614 13:25:56 -966.615395 17.4236 BFGS: 615 13:25:56 -966.872474 17.5057 BFGS: 616 13:25:57 -967.130016 17.5404 BFGS: 617 13:25:57 -967.394335 17.6145 BFGS: 618 13:25:57 -967.657191 17.6009 BFGS: 619 13:25:58 -967.927617 17.6647 BFGS: 620 13:25:58 -968.195880 17.6009 BFGS: 621 13:25:58 -968.472387 17.6498 BFGS: 622 13:25:59 -968.745508 17.5405 BFGS: 623 13:25:59 -969.026572 17.5659 BFGS: 624 13:26:00 -969.304789 17.4161 BFGS: 625 13:26:00 -969.589499 17.3990 BFGS: 626 13:26:00 -969.872939 17.2220 BFGS: 627 13:26:01 -970.161674 17.1520 BFGS: 628 13:26:01 -970.450744 16.9521 BFGS: 629 13:26:01 -970.744553 16.8277 BFGS: 630 13:26:02 -971.039780 16.6071 BFGS: 631 13:26:02 -971.339206 16.6961 BFGS: 632 13:26:02 -971.641972 16.8120 BFGS: 633 13:26:03 -971.948574 16.9563 BFGS: 634 13:26:03 -972.259334 17.1000 BFGS: 635 13:26:03 -972.573215 17.2788 BFGS: 636 13:26:04 -972.892416 17.4484 BFGS: 637 13:26:04 -973.214158 17.6540 BFGS: 638 13:26:04 -973.543050 17.8283 BFGS: 639 13:26:04 -973.872145 18.0291 BFGS: 640 13:26:05 -974.210828 18.1709 BFGS: 641 13:26:05 -974.544786 18.3006 BFGS: 642 13:26:05 -974.891238 18.3262 BFGS: 643 13:26:06 -975.226514 18.2659 BFGS: 644 13:26:06 -975.574944 18.0705 BFGS: 645 13:26:07 -975.912882 17.7089 BFGS: 646 13:26:07 -976.262044 17.2277 BFGS: 647 13:26:07 -976.609524 16.5802 BFGS: 648 13:26:08 -976.968652 15.8795 BFGS: 649 13:26:08 -977.329414 15.0248 BFGS: 650 13:26:08 -977.705182 14.2607 BFGS: 651 13:26:09 -978.082410 13.2584 BFGS: 652 13:26:09 -978.472110 12.9050 BFGS: 653 13:26:09 -978.847560 12.0961 BFGS: 654 13:26:09 -979.217795 12.3355 BFGS: 655 13:26:10 -979.580041 11.6510 BFGS: 656 13:26:10 -979.937694 11.6298 BFGS: 657 13:26:10 -980.289692 11.2819 BFGS: 658 13:26:10 -980.647775 11.0860 BFGS: 659 13:26:11 -981.006142 10.9195 BFGS: 660 13:26:11 -981.373489 10.6720 BFGS: 661 13:26:11 -981.740638 10.5943 BFGS: 662 13:26:12 -982.115300 10.3451 BFGS: 663 13:26:12 -982.486894 10.3003 BFGS: 664 13:26:12 -982.862478 10.3629 BFGS: 665 13:26:13 -983.232009 10.9459 BFGS: 666 13:26:13 -983.602521 11.4921 BFGS: 667 13:26:13 -983.965586 12.0302 BFGS: 668 13:26:13 -984.327016 12.4938 BFGS: 669 13:26:14 -984.681728 12.9437 BFGS: 670 13:26:14 -985.033017 13.3345 BFGS: 671 13:26:14 -985.379015 13.7030 BFGS: 672 13:26:15 -985.720550 14.0283 BFGS: 673 13:26:15 -986.058212 14.3243 BFGS: 674 13:26:15 -986.391399 14.5875 BFGS: 675 13:26:16 -986.721166 14.8223 BFGS: 676 13:26:16 -987.046988 15.0273 BFGS: 677 13:26:16 -987.369112 15.2166 BFGS: 678 13:26:17 -987.688416 15.3632 BFGS: 679 13:26:17 -988.003152 15.5234 BFGS: 680 13:26:17 -988.316496 15.6175 BFGS: 681 13:26:18 -988.624459 15.7492 BFGS: 682 13:26:18 -988.931843 15.8078 BFGS: 683 13:26:19 -989.234236 15.9033 BFGS: 684 13:26:19 -989.535986 15.9357 BFGS: 685 13:26:19 -989.833791 15.9995 BFGS: 686 13:26:19 -990.131094 16.0140 BFGS: 687 13:26:20 -990.424554 16.0488 BFGS: 688 13:26:20 -990.717215 16.0411 BFGS: 689 13:26:20 -991.006982 16.0510 BFGS: 690 13:26:21 -991.295614 16.0287 BFGS: 691 13:26:21 -991.581595 16.0184 BFGS: 692 13:26:21 -991.866945 15.9853 BFGS: 693 13:26:22 -992.149679 15.9543 BFGS: 694 13:26:22 -992.431668 15.9173 BFGS: 695 13:26:22 -992.711835 15.8622 BFGS: 696 13:26:23 -992.991070 15.8248 BFGS: 697 13:26:23 -993.269163 15.7495 BFGS: 698 13:26:23 -993.545852 15.7070 BFGS: 699 13:26:24 -993.822341 15.6136 BFGS: 700 13:26:24 -994.097278 15.5666 BFGS: 701 13:26:25 -994.372442 15.4598 BFGS: 702 13:26:25 -994.646390 15.4055 BFGS: 703 13:26:25 -994.920857 15.2895 BFGS: 704 13:26:26 -995.194120 15.2226 BFGS: 705 13:26:26 -995.468122 15.1046 BFGS: 706 13:26:26 -995.741377 15.0200 BFGS: 707 13:26:27 -996.015559 14.9002 BFGS: 708 13:26:27 -996.289510 14.7987 BFGS: 709 13:26:27 -996.564195 14.6758 BFGS: 710 13:26:28 -996.839127 14.5593 BFGS: 711 13:26:28 -997.115047 14.4295 BFGS: 712 13:26:28 -997.391046 14.3010 BFGS: 713 13:26:29 -997.668503 14.2369 BFGS: 714 13:26:29 -997.946405 14.2389 BFGS: 715 13:26:29 -998.226119 14.2375 BFGS: 716 13:26:30 -998.506376 14.2245 BFGS: 717 13:26:30 -998.788762 14.2028 BFGS: 718 13:26:30 -999.071673 14.1701 BFGS: 719 13:26:31 -999.357732 14.1324 BFGS: 720 13:26:31 -999.643709 14.0804 BFGS: 721 13:26:31 -999.933821 14.0246 BFGS: 722 13:26:32 -1000.223628 13.9523 BFGS: 723 13:26:32 -1000.518412 13.8874 BFGS: 724 13:26:32 -1000.812222 13.7892 BFGS: 725 13:26:32 -1001.112492 13.7196 BFGS: 726 13:26:33 -1001.411310 13.9945 BFGS: 727 13:26:33 -1001.717265 14.3443 BFGS: 728 13:26:33 -1002.021942 14.7022 BFGS: 729 13:26:33 -1002.333991 15.0638 BFGS: 730 13:26:34 -1002.645526 15.4432 BFGS: 731 13:26:34 -1002.964687 15.8099 BFGS: 732 13:26:34 -1003.283804 16.2098 BFGS: 733 13:26:34 -1003.610453 16.5791 BFGS: 734 13:26:35 -1003.938024 16.9962 BFGS: 735 13:26:35 -1004.272683 17.3690 BFGS: 736 13:26:35 -1004.609100 17.7953 BFGS: 737 13:26:35 -1004.952070 18.1753 BFGS: 738 13:26:36 -1005.298017 18.6050 BFGS: 739 13:26:36 -1005.649740 18.9908 BFGS: 740 13:26:36 -1006.005260 19.4204 BFGS: 741 13:26:37 -1006.366126 19.8084 BFGS: 742 13:26:37 -1006.731158 20.2345 BFGS: 743 13:26:37 -1007.101332 20.6244 BFGS: 744 13:26:37 -1007.475379 21.0444 BFGS: 745 13:26:38 -1007.854706 21.4299 BFGS: 746 13:26:38 -1008.236084 21.8415 BFGS: 747 13:26:38 -1008.620835 22.2187 BFGS: 748 13:26:38 -1009.007747 22.6188 BFGS: 749 13:26:39 -1009.397113 22.9807 BFGS: 750 13:26:39 -1009.790248 23.3747 BFGS: 751 13:26:39 -1010.185488 23.7260 BFGS: 752 13:26:39 -1010.585112 24.1105 BFGS: 753 13:26:40 -1010.986415 24.4450 BFGS: 754 13:26:40 -1011.392738 24.8246 BFGS: 755 13:26:40 -1011.799846 25.1430 BFGS: 756 13:26:40 -1012.213285 25.5198 BFGS: 757 13:26:41 -1012.625933 25.8219 BFGS: 758 13:26:41 -1013.046337 26.1973 BFGS: 759 13:26:41 -1013.464621 26.4864 BFGS: 760 13:26:42 -1013.890234 26.8429 BFGS: 761 13:26:42 -1014.314992 27.1310 BFGS: 762 13:26:42 -1014.746857 27.4700 BFGS: 763 13:26:43 -1015.178330 27.7590 BFGS: 764 13:26:43 -1015.615500 28.0778 BFGS: 765 13:26:43 -1016.054565 28.3670 BFGS: 766 13:26:44 -1016.497200 28.6718 BFGS: 767 13:26:44 -1016.943327 28.9559 BFGS: 768 13:26:44 -1017.391246 29.2489 BFGS: 769 13:26:45 -1017.844122 29.5235 BFGS: 770 13:26:45 -1018.297237 29.8086 BFGS: 771 13:26:45 -1018.756784 30.0708 BFGS: 772 13:26:45 -1019.214237 30.3467 BFGS: 773 13:26:46 -1019.680386 30.5972 BFGS: 774 13:26:46 -1020.142461 30.8596 BFGS: 775 13:26:46 -1020.614404 31.0924 BFGS: 776 13:26:47 -1021.080855 31.3423 BFGS: 777 13:26:47 -1021.557941 31.5563 BFGS: 778 13:26:47 -1022.029122 31.7868 BFGS: 779 13:26:48 -1022.509904 31.9769 BFGS: 780 13:26:48 -1022.985932 32.1857 BFGS: 781 13:26:49 -1023.470813 32.3492 BFGS: 782 13:26:49 -1023.951988 32.5276 BFGS: 783 13:26:49 -1024.440231 32.6657 BFGS: 784 13:26:50 -1024.928055 32.8139 BFGS: 785 13:26:50 -1025.419867 32.9253 BFGS: 786 13:26:50 -1025.915065 33.0300 BFGS: 787 13:26:50 -1026.413122 33.1238 BFGS: 788 13:26:51 -1026.918711 33.1879 BFGS: 789 13:26:51 -1027.426622 33.2678 BFGS: 790 13:26:51 -1027.945361 33.2973 BFGS: 791 13:26:51 -1028.465930 33.3640 BFGS: 792 13:26:52 -1029.001688 33.9646 BFGS: 793 13:26:52 -1029.539908 34.6027 BFGS: 794 13:26:53 -1030.095572 35.3146 BFGS: 795 13:26:53 -1030.654923 35.9707 BFGS: 796 13:26:53 -1031.232717 36.6903 BFGS: 797 13:26:53 -1031.816720 37.3769 BFGS: 798 13:26:54 -1032.419301 38.1094 BFGS: 799 13:26:54 -1033.029096 38.8333 BFGS: 800 13:26:54 -1033.656662 39.5780 BFGS: 801 13:26:54 -1034.292718 40.3373 BFGS: 802 13:26:55 -1034.946187 41.0958 BFGS: 803 13:26:55 -1035.605466 41.8811 BFGS: 804 13:26:55 -1036.282145 42.6346 BFGS: 805 13:26:56 -1036.959970 43.4352 BFGS: 806 13:26:56 -1037.654910 44.1469 BFGS: 807 13:26:56 -1038.342892 44.9449 BFGS: 808 13:26:56 -1039.039324 45.5595 BFGS: 809 13:26:57 -1039.725141 46.3044 BFGS: 810 13:26:57 -1040.423615 46.8010 BFGS: 811 13:26:57 -1041.094117 47.4294 BFGS: 812 13:26:58 -1041.767211 47.7786 BFGS: 813 13:26:58 -1042.412145 48.2424 BFGS: 814 13:26:58 -1043.054882 48.4672 BFGS: 815 13:26:59 -1043.674055 48.7914 BFGS: 816 13:26:59 -1044.292968 48.9235 BFGS: 817 13:26:59 -1044.894768 49.1560 BFGS: 818 13:27:00 -1045.503921 49.2426 BFGS: 819 13:27:00 -1046.096304 49.4301 BFGS: 820 13:27:01 -1046.705386 49.4960 BFGS: 821 13:27:01 -1047.293323 49.6433 BFGS: 822 13:27:01 -1047.907567 49.6932 BFGS: 823 13:27:02 -1048.493492 49.7881 BFGS: 824 13:27:02 -1049.112165 49.8378 BFGS: 825 13:27:02 -1049.701482 49.8622 BFGS: 826 13:27:03 -1050.317719 49.9108 BFGS: 827 13:27:03 -1050.914409 49.8459 BFGS: 828 13:27:04 -1051.527127 49.8937 BFGS: 829 13:27:04 -1052.132117 49.7336 BFGS: 830 13:27:04 -1052.741760 49.7783 BFGS: 831 13:27:05 -1053.354178 49.5305 BFGS: 832 13:27:05 -1053.961327 49.5518 BFGS: 833 13:27:05 -1054.578686 49.2541 BFGS: 834 13:27:06 -1055.186878 49.2213 BFGS: 835 13:27:06 -1055.805687 48.9003 BFGS: 836 13:27:06 -1056.416269 48.8140 BFGS: 837 13:27:07 -1057.038451 48.4599 BFGS: 838 13:27:07 -1057.651435 48.3269 BFGS: 839 13:27:08 -1058.275421 47.9794 BFGS: 840 13:27:08 -1058.890958 47.7572 BFGS: 841 13:27:08 -1059.515738 47.4508 BFGS: 842 13:27:09 -1060.134058 47.1606 BFGS: 843 13:27:09 -1060.761849 46.8462 BFGS: 844 13:27:09 -1061.380701 46.5458 BFGS: 845 13:27:09 -1062.011609 46.1873 BFGS: 846 13:27:10 -1062.629690 45.9100 BFGS: 847 13:27:10 -1063.262489 45.4821 BFGS: 848 13:27:10 -1063.880240 45.2450 BFGS: 849 13:27:11 -1064.510819 44.7580 BFGS: 850 13:27:11 -1065.128926 44.5354 BFGS: 851 13:27:11 -1065.753042 44.0432 BFGS: 852 13:27:12 -1066.373458 43.7730 BFGS: 853 13:27:12 -1066.990121 43.3165 BFGS: 854 13:27:12 -1067.609320 42.9892 BFGS: 855 13:27:13 -1068.219942 42.5565 BFGS: 856 13:27:13 -1068.835037 42.1891 BFGS: 857 13:27:13 -1069.439838 41.7643 BFGS: 858 13:27:14 -1070.049324 41.3649 BFGS: 859 13:27:14 -1070.647318 40.9343 BFGS: 860 13:27:14 -1071.251658 40.5125 BFGS: 861 13:27:15 -1071.843197 40.0776 BFGS: 862 13:27:15 -1072.442617 39.6315 BFGS: 863 13:27:15 -1073.027254 39.1874 BFGS: 864 13:27:16 -1073.622993 38.7282 BFGS: 865 13:27:16 -1074.202969 38.2771 BFGS: 866 13:27:16 -1074.792383 37.8052 BFGS: 867 13:27:17 -1075.370797 37.3503 BFGS: 868 13:27:17 -1075.952233 36.8787 BFGS: 869 13:27:17 -1076.530879 36.4135 BFGS: 870 13:27:18 -1077.107162 35.9455 BFGS: 871 13:27:18 -1077.684421 35.4842 BFGS: 872 13:27:18 -1078.257515 35.0128 BFGS: 873 13:27:19 -1078.833322 34.5644 BFGS: 874 13:27:19 -1079.403597 34.0910 BFGS: 875 13:27:19 -1079.976849 33.6547 BFGS: 876 13:27:20 -1080.544811 33.1884 BFGS: 877 13:27:20 -1081.115843 32.7650 BFGS: 878 13:27:20 -1081.681832 32.3065 BFGS: 879 13:27:21 -1082.249483 31.8996 BFGS: 880 13:27:22 -1082.814343 31.4544 BFGS: 881 13:27:22 -1083.378004 31.0594 BFGS: 882 13:27:22 -1083.940555 30.9434 BFGS: 883 13:27:22 -1084.501652 30.9236 BFGS: 884 13:27:22 -1085.062163 30.8428 BFGS: 885 13:27:22 -1085.620678 30.8100 BFGS: 886 13:27:23 -1086.178301 30.7268 BFGS: 887 13:27:23 -1086.733247 30.6735 BFGS: 888 13:27:24 -1087.288167 30.5950 BFGS: 889 13:27:24 -1087.841447 30.5012 BFGS: 890 13:27:24 -1088.393364 30.4462 BFGS: 891 13:27:25 -1088.945297 30.2938 BFGS: 892 13:27:25 -1089.493647 30.2823 BFGS: 893 13:27:25 -1090.042710 30.0686 BFGS: 894 13:27:26 -1090.589083 30.0862 BFGS: 895 13:27:26 -1091.135896 29.8340 BFGS: 896 13:27:26 -1091.680144 29.8462 BFGS: 897 13:27:27 -1092.224101 29.5917 BFGS: 898 13:27:27 -1092.767012 29.5622 BFGS: 899 13:27:27 -1093.307444 29.3418 BFGS: 900 13:27:28 -1093.848156 29.2404 BFGS: 901 13:27:28 -1094.385943 29.0732 BFGS: 902 13:27:29 -1094.923563 28.8881 BFGS: 903 13:27:29 -1095.458320 28.7806 BFGS: 904 13:27:30 -1095.991763 28.5134 BFGS: 905 13:27:30 -1096.523196 28.4512 BFGS: 906 13:27:30 -1097.052508 28.1326 BFGS: 907 13:27:31 -1097.580080 28.0612 BFGS: 908 13:27:31 -1098.104526 27.7543 BFGS: 909 13:27:32 -1098.627426 27.6228 BFGS: 910 13:27:32 -1099.147050 27.3536 BFGS: 911 13:27:32 -1099.666038 27.1625 BFGS: 912 13:27:33 -1100.181071 26.9179 BFGS: 913 13:27:33 -1100.696189 26.6817 BFGS: 914 13:27:33 -1101.207796 26.4467 BFGS: 915 13:27:34 -1101.719526 26.3611 BFGS: 916 13:27:34 -1102.228340 26.3467 BFGS: 917 13:27:34 -1102.737735 26.3167 BFGS: 918 13:27:34 -1103.245475 26.3025 BFGS: 919 13:27:35 -1103.753116 26.2802 BFGS: 920 13:27:35 -1104.260515 26.2612 BFGS: 921 13:27:35 -1104.766865 26.2394 BFGS: 922 13:27:36 -1105.274119 26.2127 BFGS: 923 13:27:36 -1105.781376 26.1787 BFGS: 924 13:27:36 -1106.288598 26.1419 BFGS: 925 13:27:37 -1106.797160 26.0859 BFGS: 926 13:27:37 -1107.305926 26.0306 BFGS: 927 13:27:37 -1107.815697 25.9504 BFGS: 928 13:27:37 -1108.326201 25.8809 BFGS: 929 13:27:37 -1108.838259 25.7735 BFGS: 930 13:27:38 -1109.349691 25.6807 BFGS: 931 13:27:38 -1109.863514 25.5542 BFGS: 932 13:27:39 -1110.377620 25.4244 BFGS: 933 13:27:39 -1110.893914 25.2834 BFGS: 934 13:27:39 -1111.411352 25.1195 BFGS: 935 13:27:40 -1111.930317 24.9703 BFGS: 936 13:27:40 -1112.450880 24.7703 BFGS: 937 13:27:40 -1112.973045 24.6233 BFGS: 938 13:27:41 -1113.497684 24.3886 BFGS: 939 13:27:41 -1114.023869 24.2566 BFGS: 940 13:27:41 -1114.552965 23.9920 BFGS: 941 13:27:41 -1115.083469 23.8645 BFGS: 942 13:27:42 -1115.617807 23.6042 BFGS: 943 13:27:42 -1116.153450 23.4689 BFGS: 944 13:27:42 -1116.693467 23.2242 BFGS: 945 13:27:43 -1117.232798 23.0816 BFGS: 946 13:27:43 -1117.776664 22.8491 BFGS: 947 13:27:43 -1118.319549 22.7113 BFGS: 948 13:27:44 -1118.864396 22.4862 BFGS: 949 13:27:44 -1119.408034 22.3461 BFGS: 950 13:27:44 -1119.953240 22.1282 BFGS: 951 13:27:45 -1120.497021 21.9806 BFGS: 952 13:27:46 -1121.039701 21.7694 BFGS: 953 13:27:46 -1121.580778 21.6107 BFGS: 954 13:27:46 -1122.119254 21.3988 BFGS: 955 13:27:47 -1122.655338 21.2303 BFGS: 956 13:27:47 -1123.188084 21.0154 BFGS: 957 13:27:47 -1123.717738 20.8832 BFGS: 958 13:27:48 -1124.243816 20.7429 BFGS: 959 13:27:48 -1124.765585 20.8075 BFGS: 960 13:27:48 -1125.285091 20.6770 BFGS: 961 13:27:49 -1125.797969 20.7055 BFGS: 962 13:27:49 -1126.310482 20.5703 BFGS: 963 13:27:49 -1126.813020 20.5737 BFGS: 964 13:27:50 -1127.318115 20.4345 BFGS: 965 13:27:50 -1127.810420 20.4090 BFGS: 966 13:27:50 -1128.306035 20.2713 BFGS: 967 13:27:51 -1128.790118 20.2121 BFGS: 968 13:27:51 -1129.275004 20.0652 BFGS: 969 13:27:51 -1129.749888 19.9866 BFGS: 970 13:27:51 -1130.224232 19.8193 BFGS: 971 13:27:52 -1130.688980 19.7312 BFGS: 972 13:27:52 -1131.152607 19.5397 BFGS: 973 13:27:52 -1131.606753 19.4397 BFGS: 974 13:27:53 -1132.059483 19.2353 BFGS: 975 13:27:53 -1132.503004 19.1103 BFGS: 976 13:27:53 -1132.944344 18.9044 BFGS: 977 13:27:53 -1133.377237 18.7442 BFGS: 978 13:27:54 -1133.807522 18.5414 BFGS: 979 13:27:54 -1134.229830 18.3440 BFGS: 980 13:27:54 -1134.648992 18.1516 BFGS: 981 13:27:55 -1135.060262 17.9033 BFGS: 982 13:27:55 -1135.468232 17.7341 BFGS: 983 13:27:55 -1135.869498 17.4266 BFGS: 984 13:27:56 -1136.265803 17.2873 BFGS: 985 13:27:56 -1136.657145 16.9270 BFGS: 986 13:27:57 -1137.042164 16.7988 BFGS: 987 13:27:57 -1137.423834 16.4161 BFGS: 988 13:27:57 -1137.798223 16.2753 BFGS: 989 13:27:58 -1138.170521 15.8871 BFGS: 990 13:27:58 -1138.535260 15.7239 BFGS: 991 13:27:58 -1138.898218 15.3469 BFGS: 992 13:27:58 -1139.254567 15.1578 BFGS: 993 13:27:59 -1139.609241 14.8051 BFGS: 994 13:27:59 -1139.958192 14.5756 BFGS: 995 13:27:59 -1140.305672 14.2526 BFGS: 996 13:28:00 -1140.648999 13.9913 BFGS: 997 13:28:00 -1140.990357 13.8156 BFGS: 998 13:28:00 -1141.329959 14.1354 BFGS: 999 13:28:01 -1141.667484 14.3725 BFGS: 1000 13:28:01 -1142.005899 14.7270 BFGS: 1001 13:28:02 -1142.342097 15.0004 BFGS: 1002 13:28:02 -1142.681984 15.3852 BFGS: 1003 13:28:02 -1143.020552 15.7121 BFGS: 1004 13:28:02 -1143.364734 16.1248 BFGS: 1005 13:28:03 -1143.708651 16.5136 BFGS: 1006 13:28:03 -1144.059277 16.9557 BFGS: 1007 13:28:03 -1144.410400 17.4080 BFGS: 1008 13:28:03 -1144.768712 17.8811 BFGS: 1009 13:28:04 -1145.127425 18.3932 BFGS: 1010 13:28:04 -1145.494203 18.8921 BFGS: 1011 13:28:04 -1145.859418 19.4589 BFGS: 1012 13:28:04 -1146.233896 19.9644 BFGS: 1013 13:28:05 -1146.605873 20.5814 BFGS: 1014 13:28:05 -1146.988938 21.0691 BFGS: 1015 13:28:05 -1147.370174 21.7109 BFGS: 1016 13:28:05 -1147.764255 22.1749 BFGS: 1017 13:28:06 -1148.159674 22.7984 BFGS: 1018 13:28:06 -1148.568991 23.2204 BFGS: 1019 13:28:07 -1148.984009 23.7812 BFGS: 1020 13:28:07 -1149.415141 24.1275 BFGS: 1021 13:28:07 -1149.857003 24.5898 BFGS: 1022 13:28:08 -1150.316636 24.8040 BFGS: 1023 13:28:08 -1150.790562 25.1153 BFGS: 1024 13:28:08 -1151.283233 25.0784 BFGS: 1025 13:28:09 -1151.791587 25.1464 BFGS: 1026 13:28:09 -1152.319737 24.6305 BFGS: 1027 13:28:09 -1152.857096 24.2978 BFGS: 1028 13:28:10 -1153.413587 22.9800 BFGS: 1029 13:28:10 -1153.947876 22.1877 BFGS: 1030 13:28:10 -1154.496244 20.3011 BFGS: 1031 13:28:11 -1154.996248 19.2681 BFGS: 1032 13:28:11 -1155.503589 18.3178 BFGS: 1033 13:28:11 -1155.983292 17.8791 BFGS: 1034 13:28:11 -1156.460544 17.3442 BFGS: 1035 13:28:12 -1156.927110 16.8162 BFGS: 1036 13:28:12 -1157.386681 16.2034 BFGS: 1037 13:28:13 -1157.841646 15.6059 BFGS: 1038 13:28:13 -1158.287271 14.9492 BFGS: 1039 13:28:13 -1158.730736 14.3571 BFGS: 1040 13:28:13 -1159.162253 14.3952 BFGS: 1041 13:28:14 -1159.592771 14.0789 BFGS: 1042 13:28:14 -1160.009012 14.0907 BFGS: 1043 13:28:14 -1160.423523 13.7858 BFGS: 1044 13:28:14 -1160.822631 13.7343 BFGS: 1045 13:28:15 -1161.218442 13.4801 BFGS: 1046 13:28:15 -1161.597529 13.3513 BFGS: 1047 13:28:15 -1161.972683 13.1496 BFGS: 1048 13:28:16 -1162.328309 12.9447 BFGS: 1049 13:28:16 -1162.681782 12.7951 BFGS: 1050 13:28:16 -1163.012560 12.6990 BFGS: 1051 13:28:17 -1163.343599 12.6755 BFGS: 1052 13:28:17 -1163.649753 13.0108 BFGS: 1053 13:28:17 -1163.958164 12.9448 BFGS: 1054 13:28:17 -1164.244055 13.2008 BFGS: 1055 13:28:18 -1164.533428 13.1092 BFGS: 1056 13:28:18 -1164.808343 13.2284 BFGS: 1057 13:28:18 -1165.080939 13.0785 BFGS: 1058 13:28:19 -1165.334326 13.0267 BFGS: 1059 13:28:19 -1165.575742 12.7758 BFGS: 1060 13:28:19 -1165.809625 12.5618 BFGS: 1061 13:28:20 -1166.039519 12.1942 BFGS: 1062 13:28:20 -1166.266974 11.8512 BFGS: 1063 13:28:20 -1166.492948 11.3708 BFGS: 1064 13:28:21 -1166.716733 10.9284 BFGS: 1065 13:28:21 -1166.937928 10.5326 BFGS: 1066 13:28:21 -1167.154745 10.4525 BFGS: 1067 13:28:22 -1167.366406 10.2649 BFGS: 1068 13:28:22 -1167.570245 10.0157 BFGS: 1069 13:28:22 -1167.766285 9.6292 BFGS: 1070 13:28:23 -1167.951322 9.2280 BFGS: 1071 13:28:23 -1168.126000 8.6581 BFGS: 1072 13:28:23 -1168.287225 8.3355 BFGS: 1073 13:28:24 -1168.436790 8.5382 BFGS: 1074 13:28:24 -1168.571897 8.1575 BFGS: 1075 13:28:24 -1168.685554 8.2851 BFGS: 1076 13:28:25 -1168.785882 7.9402 BFGS: 1077 13:28:25 -1168.876480 7.9106 BFGS: 1078 13:28:25 -1168.962386 7.6259 BFGS: 1079 13:28:26 -1169.045808 7.4384 BFGS: 1080 13:28:26 -1169.129125 7.1997 BFGS: 1081 13:28:26 -1169.212538 6.8986 BFGS: 1082 13:28:27 -1169.296692 6.8114 BFGS: 1083 13:28:27 -1169.380835 6.8773 BFGS: 1084 13:28:28 -1169.464669 6.9740 BFGS: 1085 13:28:28 -1169.546948 7.0060 BFGS: 1086 13:28:28 -1169.627171 7.0771 BFGS: 1087 13:28:28 -1169.702126 7.1043 BFGS: 1088 13:28:29 -1169.770141 7.1521 BFGS: 1089 13:28:29 -1169.833281 7.1725 BFGS: 1090 13:28:29 -1169.894368 7.1943 BFGS: 1091 13:28:30 -1169.955121 7.1837 BFGS: 1092 13:28:30 -1170.017668 7.1694 BFGS: 1093 13:28:30 -1170.082474 7.1049 BFGS: 1094 13:28:31 -1170.150247 7.0451 BFGS: 1095 13:28:31 -1170.220239 6.9011 BFGS: 1096 13:28:31 -1170.291971 6.7911 BFGS: 1097 13:28:31 -1170.364263 6.6840 BFGS: 1098 13:28:32 -1170.435414 7.0516 BFGS: 1099 13:28:32 -1170.499197 7.2312 BFGS: 1100 13:28:32 -1170.556002 7.4478 BFGS: 1101 13:28:33 -1170.610870 7.3058 BFGS: 1102 13:28:33 -1170.664112 7.2141 BFGS: 1103 13:28:33 -1170.723404 6.3932 BFGS: 1104 13:28:34 -1170.778449 5.9591 BFGS: 1105 13:28:34 -1170.848076 5.6520 BFGS: 1106 13:28:34 -1170.908879 5.7549 BFGS: 1107 13:28:35 -1170.964611 5.8287 BFGS: 1108 13:28:35 -1171.015990 5.8162 BFGS: 1109 13:28:35 -1171.063904 5.7912 BFGS: 1110 13:28:36 -1171.108938 5.7023 BFGS: 1111 13:28:36 -1171.151832 5.6069 BFGS: 1112 13:28:36 -1171.193559 5.4744 BFGS: 1113 13:28:36 -1171.234549 5.3407 BFGS: 1114 13:28:37 -1171.275479 5.1890 BFGS: 1115 13:28:37 -1171.316550 5.0418 BFGS: 1116 13:28:37 -1171.358387 4.8918 BFGS: 1117 13:28:37 -1171.401433 4.7512 BFGS: 1118 13:28:38 -1171.445851 4.6182 BFGS: 1119 13:28:38 -1171.492166 4.4988 BFGS: 1120 13:28:38 -1171.540734 4.3931 BFGS: 1121 13:28:39 -1171.591993 4.3016 BFGS: 1122 13:28:39 -1171.646271 4.5998 BFGS: 1123 13:28:39 -1171.703839 5.3906 BFGS: 1124 13:28:39 -1171.765914 6.2581 BFGS: 1125 13:28:40 -1171.834477 7.2105 BFGS: 1126 13:28:40 -1171.912631 8.2928 BFGS: 1127 13:28:40 -1171.989267 9.0242 BFGS: 1128 13:28:41 -1172.049741 8.7604 BFGS: 1129 13:28:41 -1172.111655 7.7500 BFGS: 1130 13:28:41 -1172.166427 6.6239 BFGS: 1131 13:28:41 -1172.224424 6.6284 BFGS: 1132 13:28:42 -1172.278567 6.9550 BFGS: 1133 13:28:42 -1172.343246 7.0666 BFGS: 1134 13:28:42 -1172.406794 6.9363 BFGS: 1135 13:28:42 -1172.468365 6.7184 BFGS: 1136 13:28:43 -1172.530215 6.4814 BFGS: 1137 13:28:43 -1172.594140 6.2434 BFGS: 1138 13:28:43 -1172.660926 6.0357 BFGS: 1139 13:28:44 -1172.730774 5.8794 BFGS: 1140 13:28:44 -1172.803801 5.8040 BFGS: 1141 13:28:44 -1172.877771 5.8129 BFGS: 1142 13:28:45 -1172.949049 5.8503 BFGS: 1143 13:28:45 -1173.011165 5.8186 BFGS: 1144 13:28:45 -1173.063998 5.7148 BFGS: 1145 13:28:45 -1173.109250 5.6319 BFGS: 1146 13:28:46 -1173.149373 5.6357 BFGS: 1147 13:28:46 -1173.187075 5.8075 BFGS: 1148 13:28:46 -1173.226778 6.0803 BFGS: 1149 13:28:46 -1173.292497 6.4136 BFGS: 1150 13:28:47 -1173.368176 6.5089 BFGS: 1151 13:28:47 -1173.438741 6.4218 BFGS: 1152 13:28:47 -1173.507147 6.2465 BFGS: 1153 13:28:48 -1173.573389 6.0453 BFGS: 1154 13:28:48 -1173.636573 5.8531 BFGS: 1155 13:28:48 -1173.696976 5.6960 BFGS: 1156 13:28:48 -1173.754259 5.5929 BFGS: 1157 13:28:49 -1173.809194 5.9114 BFGS: 1158 13:28:49 -1173.861477 6.2643 BFGS: 1159 13:28:49 -1173.912178 6.6263 BFGS: 1160 13:28:49 -1173.960923 6.9939 BFGS: 1161 13:28:50 -1174.008221 7.3638 BFGS: 1162 13:28:50 -1174.054511 7.7342 BFGS: 1163 13:28:50 -1174.106411 8.0643 BFGS: 1164 13:28:51 -1174.157376 8.3355 BFGS: 1165 13:28:51 -1174.223523 8.7688 BFGS: 1166 13:28:51 -1174.263747 8.2554 BFGS: 1167 13:28:52 -1174.314996 7.9647 BFGS: 1168 13:28:52 -1174.364654 8.1955 BFGS: 1169 13:28:52 -1174.428939 8.6651 BFGS: 1170 13:28:53 -1174.497565 9.2233 BFGS: 1171 13:28:53 -1174.574809 9.8995 BFGS: 1172 13:28:53 -1174.651203 10.5321 BFGS: 1173 13:28:54 -1174.699676 10.5231 BFGS: 1174 13:28:54 -1174.754230 10.1455 BFGS: 1175 13:28:54 -1174.789180 9.6403 BFGS: 1176 13:28:54 -1174.828440 9.3059 BFGS: 1177 13:28:55 -1174.871700 9.0098 BFGS: 1178 13:28:55 -1174.919611 8.9993 BFGS: 1179 13:28:55 -1174.970763 8.9405 BFGS: 1180 13:28:55 -1175.017756 9.0665 BFGS: 1181 13:28:56 -1175.045254 8.8598 BFGS: 1182 13:28:56 -1175.075765 8.6780 BFGS: 1183 13:28:56 -1175.114288 8.4367 BFGS: 1184 13:28:57 -1175.168242 7.8070 BFGS: 1185 13:28:57 -1175.241898 7.6535 BFGS: 1186 13:28:57 -1175.309342 7.7059 BFGS: 1187 13:28:57 -1175.359694 7.9154 BFGS: 1188 13:28:58 -1175.404721 8.1680 BFGS: 1189 13:28:58 -1175.445454 8.4609 BFGS: 1190 13:28:58 -1175.475741 8.6678 BFGS: 1191 13:28:59 -1175.501533 8.7301 BFGS: 1192 13:28:59 -1175.527527 8.6721 BFGS: 1193 13:28:59 -1175.547998 8.5035 BFGS: 1194 13:29:00 -1175.570863 8.2438 BFGS: 1195 13:29:00 -1175.596060 7.9618 BFGS: 1196 13:29:00 -1175.622819 7.7823 BFGS: 1197 13:29:00 -1175.647432 7.7539 BFGS: 1198 13:29:01 -1175.676557 7.8764 BFGS: 1199 13:29:01 -1175.714236 8.0970 BFGS: 1200 13:29:01 -1175.765108 8.4698 BFGS: 1201 13:29:02 -1175.829899 8.8020 BFGS: 1202 13:29:02 -1175.891272 8.8057 BFGS: 1203 13:29:02 -1175.952955 8.4379 BFGS: 1204 13:29:03 -1176.014472 7.8169 BFGS: 1205 13:29:03 -1176.077388 6.8829 BFGS: 1206 13:29:03 -1176.139190 5.6622 BFGS: 1207 13:29:03 -1176.201207 3.9687 BFGS: 1208 13:29:04 -1176.249230 3.6615 BFGS: 1209 13:29:04 -1176.286870 3.6245 BFGS: 1210 13:29:04 -1176.313307 3.3698 BFGS: 1211 13:29:04 -1176.328009 3.2911 BFGS: 1212 13:29:05 -1176.344129 3.5274 BFGS: 1213 13:29:05 -1176.365612 3.6492 BFGS: 1214 13:29:05 -1176.393461 3.5142 BFGS: 1215 13:29:06 -1176.430057 3.2210 BFGS: 1216 13:29:06 -1176.467146 2.8611 BFGS: 1217 13:29:06 -1176.507657 2.6467 BFGS: 1218 13:29:07 -1176.541577 2.9835 BFGS: 1219 13:29:07 -1176.576622 3.0869 BFGS: 1220 13:29:07 -1176.614168 3.5805 BFGS: 1221 13:29:08 -1176.659505 4.0374 BFGS: 1222 13:29:08 -1176.702119 4.0990 BFGS: 1223 13:29:08 -1176.742108 3.8094 BFGS: 1224 13:29:09 -1176.774227 3.2933 BFGS: 1225 13:29:09 -1176.801436 2.7025 BFGS: 1226 13:29:09 -1176.823369 2.2922 BFGS: 1227 13:29:09 -1176.839840 2.1154 BFGS: 1228 13:29:10 -1176.855338 2.0221 BFGS: 1229 13:29:10 -1176.865061 2.2337 BFGS: 1230 13:29:10 -1176.875217 2.1905 BFGS: 1231 13:29:11 -1176.888670 2.3234 BFGS: 1232 13:29:11 -1176.906721 2.1728 BFGS: 1233 13:29:11 -1176.929136 2.0220 BFGS: 1234 13:29:11 -1176.955878 2.0780 BFGS: 1235 13:29:12 -1176.986691 2.0620 BFGS: 1236 13:29:12 -1177.019618 1.8020 BFGS: 1237 13:29:12 -1177.043907 1.7074 BFGS: 1238 13:29:13 -1177.058345 1.6902 BFGS: 1239 13:29:13 -1177.071848 1.6028 BFGS: 1240 13:29:13 -1177.081323 1.7993 BFGS: 1241 13:29:14 -1177.092168 2.0339 BFGS: 1242 13:29:14 -1177.102115 2.0902 BFGS: 1243 13:29:14 -1177.111298 2.0848 BFGS: 1244 13:29:15 -1177.119928 2.2489 BFGS: 1245 13:29:15 -1177.128066 2.5948 BFGS: 1246 13:29:15 -1177.136174 2.8933 BFGS: 1247 13:29:15 -1177.144248 3.1380 BFGS: 1248 13:29:15 -1177.152985 3.3126 BFGS: 1249 13:29:16 -1177.161334 3.4564 BFGS: 1250 13:29:16 -1177.172033 3.4106 BFGS: 1251 13:29:16 -1177.178965 3.5259 BFGS: 1252 13:29:16 -1177.190602 3.4091 BFGS: 1253 13:29:17 -1177.206528 3.1993 BFGS: 1254 13:29:17 -1177.225922 2.8812 BFGS: 1255 13:29:17 -1177.248957 2.8398 BFGS: 1256 13:29:18 -1177.273876 2.6768 BFGS: 1257 13:29:18 -1177.302412 2.3922 BFGS: 1258 13:29:18 -1177.329068 2.0427 BFGS: 1259 13:29:18 -1177.362450 1.6375 BFGS: 1260 13:29:19 -1177.381416 1.6435 BFGS: 1261 13:29:19 -1177.398056 1.5677 BFGS: 1262 13:29:19 -1177.407146 1.2065 BFGS: 1263 13:29:19 -1177.412852 1.2096 BFGS: 1264 13:29:20 -1177.415109 1.2217 BFGS: 1265 13:29:20 -1177.417770 1.2933 BFGS: 1266 13:29:20 -1177.420054 1.3026 BFGS: 1267 13:29:21 -1177.422298 1.2662 BFGS: 1268 13:29:21 -1177.425347 1.3564 BFGS: 1269 13:29:21 -1177.430865 1.6965 BFGS: 1270 13:29:21 -1177.439985 2.0392 BFGS: 1271 13:29:21 -1177.452540 2.2076 BFGS: 1272 13:29:22 -1177.467447 2.1228 BFGS: 1273 13:29:22 -1177.483850 1.8683 BFGS: 1274 13:29:22 -1177.500055 1.5167 BFGS: 1275 13:29:22 -1177.515368 1.1026 BFGS: 1276 13:29:23 -1177.528816 0.9496 BFGS: 1277 13:29:23 -1177.539259 0.8235 BFGS: 1278 13:29:23 -1177.544085 0.8674 BFGS: 1279 13:29:24 -1177.544899 0.8690 BFGS: 1280 13:29:24 -1177.545875 0.8429 BFGS: 1281 13:29:24 -1177.546312 0.8327 BFGS: 1282 13:29:25 -1177.547750 0.7602 BFGS: 1283 13:29:25 -1177.549469 0.7458 BFGS: 1284 13:29:25 -1177.553145 0.6621 BFGS: 1285 13:29:25 -1177.557182 0.5649 BFGS: 1286 13:29:26 -1177.562035 0.4082 BFGS: 1287 13:29:26 -1177.565762 0.3732 BFGS: 1288 13:29:26 -1177.567674 0.2904 BFGS: 1289 13:29:26 -1177.568204 0.2683 BFGS: 1290 13:29:27 -1177.568330 0.2430 BFGS: 1291 13:29:27 -1177.568378 0.2493 BFGS: 1292 13:29:27 -1177.568417 0.2541 BFGS: 1293 13:29:28 -1177.568458 0.2588 BFGS: 1294 13:29:28 -1177.568524 0.2619 BFGS: 1295 13:29:28 -1177.568646 0.2670 BFGS: 1296 13:29:29 -1177.568895 0.2904 BFGS: 1297 13:29:29 -1177.569333 0.3194 BFGS: 1298 13:29:29 -1177.569942 0.3525 BFGS: 1299 13:29:29 -1177.570480 0.3277 BFGS: 1300 13:29:30 -1177.570743 0.2710 BFGS: 1301 13:29:30 -1177.570822 0.2652 BFGS: 1302 13:29:30 -1177.570859 0.2574 BFGS: 1303 13:29:31 -1177.570899 0.2550 BFGS: 1304 13:29:31 -1177.570973 0.2545 BFGS: 1305 13:29:31 -1177.571126 0.2560 BFGS: 1306 13:29:31 -1177.571466 0.2718 BFGS: 1307 13:29:32 -1177.572105 0.3165 BFGS: 1308 13:29:32 -1177.573167 0.3128 BFGS: 1309 13:29:32 -1177.574352 0.2474 BFGS: 1310 13:29:32 -1177.575000 0.1914 BFGS: 1311 13:29:33 -1177.575198 0.1362 BFGS: 1312 13:29:33 -1177.575243 0.1104 BFGS: 1313 13:29:33 -1177.575254 0.1001 BFGS: 1314 13:29:34 -1177.575257 0.0971 BFGS: 1315 13:29:34 -1177.575258 0.0962 BFGS: 1316 13:29:34 -1177.575259 0.0960 BFGS: 1317 13:29:34 -1177.575262 0.0957 BFGS: 1318 13:29:35 -1177.575267 0.0961 BFGS: 1319 13:29:35 -1177.575278 0.0963 BFGS: 1320 13:29:35 -1177.575301 0.0963 BFGS: 1321 13:29:36 -1177.575349 0.0922 BFGS: 1322 13:29:36 -1177.575439 0.0794 BFGS: 1323 13:29:36 -1177.575533 0.0612 BFGS: 1324 13:29:36 -1177.575641 0.0480 BFGS: 1325 13:29:37 -1177.575658 0.0222 BFGS: 1326 13:29:37 -1177.575660 0.0082 BFGS: 1327 13:29:37 -1177.575660 0.0068 BFGS: 1328 13:29:37 -1177.575660 0.0065 BFGS: 1329 13:29:38 -1177.575660 0.0066 BFGS: 1330 13:29:38 -1177.575660 0.0069 BFGS: 1331 13:29:38 -1177.575660 0.0075 BFGS: 1332 13:29:39 -1177.575661 0.0084 BFGS: 1333 13:29:39 -1177.575661 0.0093 BFGS: 1334 13:29:39 -1177.575662 0.0099 BFGS: 1335 13:29:39 -1177.575663 0.0088 BFGS: 1336 13:29:40 -1177.575664 0.0058 BFGS: 1337 13:29:40 -1177.575664 0.0030 BFGS: 1338 13:29:40 -1177.575665 0.0009 BFGS: 1339 13:29:40 -1177.575665 0.0004 BFGS: 1340 13:29:41 -1177.575665 0.0002 BFGS: 1341 13:29:41 -1177.575665 0.0001 BFGS: 1342 13:29:41 -1177.575665 0.0000 BFGS: 1343 13:29:41 -1177.575665 0.0000 BFGS: 1344 13:29:42 -1177.575665 0.0000 BFGS: 1345 13:29:42 -1177.575665 0.0000 BFGS: 1346 13:29:42 -1177.575665 0.0000 BFGS: 1347 13:29:43 -1177.575665 0.0000 BFGS: 1348 13:29:43 -1177.575665 0.0000 BFGS: 1349 13:29:43 -1177.575665 0.0000 BFGS: 1350 13:29:43 -1177.575665 0.0000 BFGS: 1351 13:29:44 -1177.575665 0.0000 BFGS: 1352 13:29:44 -1177.575665 0.0000 Minimization converged after 1352 steps. Maximum force component: 9.920100954281891e-09 eV/Angstrom Maximum stress component: 2.004296516416845e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si'] basis = [[0.53919104 0.99202558 0.9626162 ] [0.46080896 0.00797442 0.0373838 ] [0.93638249 0.91899904 0.40482814] [0.06361751 0.08100096 0.59517186] [0.60155731 0.97608706 0.43636418] [0.39844269 0.02391294 0.56363582] [0.51021433 0.99845791 0.74428349] [0.48978567 0.00154209 0.25571651] [0.62914838 0.90093415 0.52678264] [0.37085162 0.09906585 0.47321736] [0.98395393 0.9637958 0.54866326] [0.01604607 0.0362042 0.45133674] [0.80055417 0.02510289 0.2103442 ] [0.19944583 0.97489711 0.7896558 ] [0.08654018 0.0045002 0.65671719] [0.91345982 0.9954998 0.34328281] [0.95946573 0.02764017 0.57742701] [0.04053427 0.97235983 0.42257299] [0.00578506 0.07522096 0.71515841] [0.99421494 0.92477904 0.28484159] [0.82123596 0.66078987 0.7038834 ] [0.17876404 0.33921013 0.2961166 ] [0.68004094 0.33241303 0.30423903] [0.31995906 0.66758697 0.69576097] [0.17701208 0.93312014 0.33843029] [0.82298792 0.06687986 0.66156971] [0.2028941 0.06015497 0.51362419] [0.7971059 0.93984503 0.48637581] [0.98168023 0.04786183 0.12431329] [0.01831977 0.95213817 0.87568671] [0.64202539 0.06006327 0.21421322] [0.35797461 0.93993673 0.78578678] [0.52880788 0.89764377 0.21301847] [0.47119212 0.10235623 0.78698153] [0.56068251 0.07207012 0.5160424 ] [0.43931749 0.92792988 0.4839576 ] [0.73470213 0.11002551 0.91430293] [0.26529787 0.88997449 0.08569707] [0.89647495 0.12393912 0.33748104] [0.10352505 0.87606088 0.66251896] [0.73160602 0.89118763 0.98058739] [0.26839398 0.10881237 0.01941261]] cellpar = Cell([[4.53580465200971, -1.8212472555904335, 2.492471809999838], [1.485603781623258, 7.858398676799704, 0.048566935435848606], [-2.4004723469830314, 1.3072788032640534, 1.849721489931271]]) forces = [[ 6.90556425e-10 1.64366270e-09 3.01906098e-09] [-6.90556425e-10 -1.64366270e-09 -3.01906098e-09] [-5.52667053e-09 5.03378643e-09 4.40824661e-09] [ 5.52667053e-09 -5.03378643e-09 -4.40824661e-09] [ 5.29701671e-09 5.30620207e-09 -8.90514211e-10] [-5.29701671e-09 -5.30620207e-09 8.90514211e-10] [ 1.33625086e-09 1.51555169e-09 -1.73899793e-09] [-1.33625086e-09 -1.51555169e-09 1.73899793e-09] [ 3.33624997e-09 -3.75110272e-10 -3.83620491e-09] [-3.33624997e-09 3.75110272e-10 3.83620491e-09] [ 6.27485679e-09 -2.88710781e-09 -9.92010095e-09] [-6.27485679e-09 2.88710781e-09 9.92010095e-09] [ 2.63824247e-09 1.44480836e-09 7.21192031e-10] [-2.63824247e-09 -1.44480836e-09 -7.21192031e-10] [-1.00637786e-09 -1.33006740e-09 -4.60720912e-09] [ 1.00637786e-09 1.33006740e-09 4.60720912e-09] [-4.15809745e-09 -3.84140442e-09 -1.46290161e-09] [ 4.15809745e-09 3.84140442e-09 1.46290161e-09] [-4.03586100e-09 5.51789876e-09 1.21938404e-09] [ 4.03586100e-09 -5.51789876e-09 -1.21938404e-09] [-1.53326680e-09 -1.92296871e-10 -1.13228948e-09] [ 1.53326680e-09 1.92296871e-10 1.13228948e-09] [-2.69497774e-09 8.84014216e-10 -1.45088789e-09] [ 2.69497774e-09 -8.84014216e-10 1.45088789e-09] [ 3.73466744e-10 -1.38723381e-09 -4.81994359e-09] [-3.73466744e-10 1.38723381e-09 4.81994359e-09] [ 2.83841058e-09 4.47678403e-09 -3.21153492e-09] [-2.83841058e-09 -4.47678403e-09 3.21153492e-09] [-3.55471891e-09 -2.15500146e-09 1.98805913e-09] [ 3.55471891e-09 2.15500146e-09 -1.98805913e-09] [ 5.41655567e-10 -1.69253693e-09 2.83328342e-09] [-5.41655567e-10 1.69253693e-09 -2.83328342e-09] [-1.70903775e-09 -1.09847969e-09 1.04159474e-09] [ 1.70903775e-09 1.09847969e-09 -1.04159474e-09] [ 4.03633700e-10 -2.06546653e-09 4.36024946e-09] [-4.03633700e-10 2.06546653e-09 -4.36024946e-09] [ 2.00925798e-10 -9.66668622e-10 -9.71433257e-09] [-2.00925798e-10 9.66668622e-10 9.71433257e-09] [-3.21197078e-11 -1.20032978e-10 3.62593945e-09] [ 3.21197078e-11 1.20032978e-10 -3.62593945e-09] [-3.45060172e-09 -1.48082612e-09 -3.42003377e-09] [ 3.45060172e-09 1.48082612e-09 3.42003377e-09]] stress = [-8.88676971e-11 -1.55561623e-10 2.00429652e-10 -3.84684715e-11 -1.10633173e-10 2.39884999e-11] energy per atom = -28.037515823273647 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0