element(s): ['H', 'O', 'Si'] AFLOW prototype label: A6BC2_oP36_19_6a_a_2a Parameter names: ['a', 'b/a', 'c/a', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.9298', '1.6204308', '2.7654469', '0.043386335', '0.35411576', '0.014480046', '0.070923667', '0.64901647', '0.058915407', '0.447792', '0.51458097', '0.97384602', '0.75482173', '0.24913544', '0.2047219', '0.41963124', '0.32826479', '0.32810503', '0.29726998', '0.13140534', '0.19804245', '0.36100599', '0.44316801', '0.15575091', '0.22833848', '0.4909695', '0.047884466', '0.46146669', '0.28219456', '0.22331125'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'O', 'Si', 'Si'] representative atom coordinates = [[0.04338633 0.35411576 0.01448005] [0.07092367 0.64901647 0.05891541] [0.447792 0.51458097 0.97384602] [0.75482173 0.24913544 0.2047219 ] [0.41963124 0.32826479 0.32810503] [0.29726998 0.13140534 0.19804245] [0.36100599 0.44316801 0.15575091] [0.22833848 0.4909695 0.04788447] [0.46146669 0.28219456 0.22331125]] spacegroup = 19 cell = [[4.9298, 0, 0], [0, 7.9884, 0], [0, 0, 13.6331]] ========================================= Step Time Energy fmax BFGS: 0 14:05:35 -119.285627 26.5940 BFGS: 1 14:05:36 -128.551523 10.8724 BFGS: 2 14:05:36 -131.697155 6.5397 BFGS: 3 14:05:36 -131.205168 10.1163 BFGS: 4 14:05:36 -132.430366 1.7204 BFGS: 5 14:05:36 -132.690185 1.1694 BFGS: 6 14:05:36 -132.657597 2.9044 BFGS: 7 14:05:36 -132.866662 1.1169 BFGS: 8 14:05:36 -133.140677 2.2442 BFGS: 9 14:05:37 -133.420966 2.9830 BFGS: 10 14:05:37 -133.705094 3.7331 BFGS: 11 14:05:37 -134.002863 4.2751 BFGS: 12 14:05:37 -134.305742 4.8116 BFGS: 13 14:05:37 -134.611170 5.1247 BFGS: 14 14:05:37 -134.914587 5.7294 BFGS: 15 14:05:37 -135.218859 5.9153 BFGS: 16 14:05:37 -135.523884 6.3175 BFGS: 17 14:05:38 -135.834203 6.5635 BFGS: 18 14:05:38 -136.149547 6.8391 BFGS: 19 14:05:38 -136.470386 7.0496 BFGS: 20 14:05:38 -136.795781 7.2658 BFGS: 21 14:05:38 -137.125998 7.4318 BFGS: 22 14:05:38 -137.459160 7.5945 BFGS: 23 14:05:38 -137.795326 7.7149 BFGS: 24 14:05:38 -138.132441 7.8212 BFGS: 25 14:05:38 -138.469322 7.8909 BFGS: 26 14:05:39 -138.804972 7.9341 BFGS: 27 14:05:39 -139.138629 7.9377 BFGS: 28 14:05:39 -139.468740 7.9005 BFGS: 29 14:05:39 -139.794378 7.8150 BFGS: 30 14:05:39 -140.113875 7.6820 BFGS: 31 14:05:40 -140.425350 7.4960 BFGS: 32 14:05:40 -140.727143 7.2584 BFGS: 33 14:05:40 -141.018216 6.9882 BFGS: 34 14:05:40 -141.298154 6.7177 BFGS: 35 14:05:41 -141.570418 6.5195 BFGS: 36 14:05:41 -141.843185 6.5262 BFGS: 37 14:05:41 -142.129662 6.5679 BFGS: 38 14:05:41 -142.449347 6.9163 BFGS: 39 14:05:42 -142.807655 7.3475 BFGS: 40 14:05:42 -143.216947 7.6573 BFGS: 41 14:05:42 -143.682279 8.2164 BFGS: 42 14:05:42 -144.209101 8.4327 BFGS: 43 14:05:42 -144.792201 8.2055 BFGS: 44 14:05:42 -145.422910 7.5892 BFGS: 45 14:05:43 -146.072732 6.7511 BFGS: 46 14:05:43 -146.717952 5.8608 BFGS: 47 14:05:43 -147.353315 5.0616 BFGS: 48 14:05:43 -147.997123 5.1135 BFGS: 49 14:05:43 -148.633754 5.5811 BFGS: 50 14:05:43 -149.275620 6.1004 BFGS: 51 14:05:43 -149.998884 6.5361 BFGS: 52 14:05:43 -150.814747 7.0933 BFGS: 53 14:05:44 -151.874309 8.5091 BFGS: 54 14:05:44 -153.247193 10.7933 BFGS: 55 14:05:44 -154.874699 12.4977 BFGS: 56 14:05:44 -156.810497 16.4183 BFGS: 57 14:05:44 -158.136561 27.2630 BFGS: 58 14:05:44 -159.708454 15.9868 BFGS: 59 14:05:44 -161.471506 13.7616 BFGS: 60 14:05:44 -162.886958 11.0391 BFGS: 61 14:05:45 -164.080538 7.4273 BFGS: 62 14:05:45 -164.958568 6.1674 BFGS: 63 14:05:45 -165.820471 5.5264 BFGS: 64 14:05:45 -166.638224 5.2798 BFGS: 65 14:05:45 -167.474193 5.0094 BFGS: 66 14:05:45 -168.318213 5.2132 BFGS: 67 14:05:45 -169.155710 5.5800 BFGS: 68 14:05:46 -169.971670 5.8689 BFGS: 69 14:05:46 -170.758337 6.0913 BFGS: 70 14:05:46 -171.519901 6.2596 BFGS: 71 14:05:46 -172.279599 6.7673 BFGS: 72 14:05:46 -173.066281 8.2997 BFGS: 73 14:05:46 -173.884522 11.3429 BFGS: 74 14:05:46 -174.706418 15.7813 BFGS: 75 14:05:46 -175.499387 20.9908 BFGS: 76 14:05:47 -176.213710 26.2634 BFGS: 77 14:05:47 -176.912272 29.8085 BFGS: 78 14:05:47 -177.962977 30.5759 BFGS: 79 14:05:47 -179.236087 30.1641 BFGS: 80 14:05:47 -180.282145 29.4399 BFGS: 81 14:05:47 -183.064047 27.2640 BFGS: 82 14:05:47 -185.151512 25.5686 BFGS: 83 14:05:48 -189.229363 23.1780 BFGS: 84 14:05:48 -195.228527 20.4754 BFGS: 85 14:05:48 -201.780263 17.7099 BFGS: 86 14:05:48 -195.830137 97.9221 BFGS: 87 14:05:48 -205.215869 12.4627 BFGS: 88 14:05:48 -206.447545 10.3985 BFGS: 89 14:05:48 -207.570944 8.8858 BFGS: 90 14:05:49 -208.581449 7.5312 BFGS: 91 14:05:49 -209.511585 6.5269 BFGS: 92 14:05:49 -210.364112 6.0574 BFGS: 93 14:05:49 -211.175229 5.9539 BFGS: 94 14:05:49 -211.951205 5.8355 BFGS: 95 14:05:49 -212.717556 5.7216 BFGS: 96 14:05:50 -213.471030 5.6018 BFGS: 97 14:05:50 -214.229076 5.4955 BFGS: 98 14:05:50 -215.000326 5.3120 BFGS: 99 14:05:50 -215.832373 5.5369 BFGS: 100 14:05:50 -216.945450 6.0567 BFGS: 101 14:05:50 -218.712880 6.7045 BFGS: 102 14:05:51 -221.767228 8.3767 BFGS: 103 14:05:51 -226.259234 12.8731 BFGS: 104 14:05:51 -232.552994 17.7425 BFGS: 105 14:05:51 -235.428206 28.2138 BFGS: 106 14:05:51 -237.931352 10.8291 BFGS: 107 14:05:51 -239.504063 8.4245 BFGS: 108 14:05:51 -241.059253 10.0212 BFGS: 109 14:05:52 -242.390732 10.5228 BFGS: 110 14:05:52 -243.551249 9.7943 BFGS: 111 14:05:52 -244.636741 8.8401 BFGS: 112 14:05:52 -245.661240 8.5595 BFGS: 113 14:05:52 -246.644450 8.7798 BFGS: 114 14:05:52 -247.587463 9.2421 BFGS: 115 14:05:53 -248.503752 9.8573 BFGS: 116 14:05:53 -249.387153 10.5529 BFGS: 117 14:05:53 -250.247960 11.2500 BFGS: 118 14:05:53 -251.073911 11.8708 BFGS: 119 14:05:53 -251.880912 12.3876 BFGS: 120 14:05:53 -252.645364 12.7346 BFGS: 121 14:05:54 -253.398233 12.9422 BFGS: 122 14:05:54 -254.091028 12.9320 BFGS: 123 14:05:54 -254.790835 12.8248 BFGS: 124 14:05:54 -255.407043 12.4864 BFGS: 125 14:05:55 -256.043606 12.1166 BFGS: 126 14:05:55 -256.608048 11.5785 BFGS: 127 14:05:55 -257.177260 11.0226 BFGS: 128 14:05:56 -257.707024 10.4275 BFGS: 129 14:05:56 -258.230863 9.8396 BFGS: 130 14:05:56 -258.733038 9.3254 BFGS: 131 14:05:56 -259.229140 8.8432 BFGS: 132 14:05:57 -259.712677 8.4987 BFGS: 133 14:05:57 -260.193906 8.1717 BFGS: 134 14:05:57 -260.668677 8.0161 BFGS: 135 14:05:58 -261.145457 7.8377 BFGS: 136 14:05:58 -261.619892 7.8316 BFGS: 137 14:05:58 -262.099310 7.7684 BFGS: 138 14:05:59 -262.579003 7.8479 BFGS: 139 14:05:59 -263.063660 7.8805 BFGS: 140 14:05:59 -263.550331 7.9871 BFGS: 141 14:06:00 -264.040285 8.0724 BFGS: 142 14:06:00 -264.531696 8.1896 BFGS: 143 14:06:00 -265.024502 8.2910 BFGS: 144 14:06:00 -265.517348 8.3936 BFGS: 145 14:06:01 -266.008702 8.4878 BFGS: 146 14:06:01 -266.499352 8.5803 BFGS: 147 14:06:01 -266.988093 8.6561 BFGS: 148 14:06:02 -267.474184 8.7232 BFGS: 149 14:06:02 -267.957880 8.7768 BFGS: 150 14:06:03 -268.438968 8.8209 BFGS: 151 14:06:03 -268.918027 9.1003 BFGS: 152 14:06:03 -269.394270 9.5193 BFGS: 153 14:06:04 -269.869146 9.9272 BFGS: 154 14:06:04 -270.343143 10.3276 BFGS: 155 14:06:04 -270.816238 10.7150 BFGS: 156 14:06:04 -271.289411 11.1042 BFGS: 157 14:06:05 -271.763441 11.4878 BFGS: 158 14:06:05 -272.238197 11.8723 BFGS: 159 14:06:05 -272.713873 12.2594 BFGS: 160 14:06:05 -273.190035 12.6550 BFGS: 161 14:06:05 -273.677811 12.9243 BFGS: 162 14:06:06 -274.167424 13.1850 BFGS: 163 14:06:06 -274.659130 13.4348 BFGS: 164 14:06:06 -275.152612 13.6735 BFGS: 165 14:06:07 -275.649115 13.8981 BFGS: 166 14:06:07 -276.150248 14.1072 BFGS: 167 14:06:07 -276.656669 14.2993 BFGS: 168 14:06:07 -277.172697 14.4722 BFGS: 169 14:06:08 -277.697005 14.6308 BFGS: 170 14:06:08 -278.232878 14.7625 BFGS: 171 14:06:09 -278.779923 14.8744 BFGS: 172 14:06:09 -279.340393 14.9633 BFGS: 173 14:06:09 -279.916981 15.0301 BFGS: 174 14:06:09 -280.509099 15.0679 BFGS: 175 14:06:09 -281.117908 15.0806 BFGS: 176 14:06:10 -281.742031 15.0671 BFGS: 177 14:06:10 -282.379137 15.0272 BFGS: 178 14:06:10 -283.022246 14.9635 BFGS: 179 14:06:11 -283.660809 14.8820 BFGS: 180 14:06:11 -284.286607 14.7947 BFGS: 181 14:06:11 -284.895693 14.7132 BFGS: 182 14:06:12 -285.482903 14.6554 BFGS: 183 14:06:12 -286.047711 14.6331 BFGS: 184 14:06:12 -286.595173 14.6473 BFGS: 185 14:06:13 -287.133007 14.6914 BFGS: 186 14:06:13 -287.668438 14.7534 BFGS: 187 14:06:14 -288.206943 14.8199 BFGS: 188 14:06:14 -288.751396 14.8842 BFGS: 189 14:06:14 -289.303651 14.9387 BFGS: 190 14:06:15 -289.863705 14.9897 BFGS: 191 14:06:15 -290.431825 15.0320 BFGS: 192 14:06:16 -291.007933 15.0689 BFGS: 193 14:06:16 -291.591523 15.1079 BFGS: 194 14:06:16 -292.181053 15.1333 BFGS: 195 14:06:17 -292.776140 15.1589 BFGS: 196 14:06:17 -293.375851 15.1817 BFGS: 197 14:06:18 -293.979612 15.2032 BFGS: 198 14:06:18 -294.584015 15.2227 BFGS: 199 14:06:18 -295.188600 15.2423 BFGS: 200 14:06:19 -295.793426 15.2630 BFGS: 201 14:06:19 -296.398861 15.2827 BFGS: 202 14:06:19 -297.004587 15.3033 BFGS: 203 14:06:20 -297.611175 15.3240 BFGS: 204 14:06:20 -298.218240 15.3425 BFGS: 205 14:06:21 -298.826874 15.3608 BFGS: 206 14:06:21 -299.436891 15.3758 BFGS: 207 14:06:22 -300.050402 15.3892 BFGS: 208 14:06:22 -300.666825 15.4018 BFGS: 209 14:06:22 -301.288528 15.4111 BFGS: 210 14:06:23 -301.914417 15.4148 BFGS: 211 14:06:23 -302.549416 15.4224 BFGS: 212 14:06:23 -303.190162 15.4180 BFGS: 213 14:06:24 -303.846476 15.4293 BFGS: 214 14:06:24 -304.504736 15.3997 BFGS: 215 14:06:24 -305.109021 15.2685 BFGS: 216 14:06:25 -305.826775 15.2737 BFGS: 217 14:06:25 -306.543548 15.2677 BFGS: 218 14:06:25 -307.300194 15.2839 BFGS: 219 14:06:26 -308.079448 15.2770 BFGS: 220 14:06:26 -308.905418 15.2919 BFGS: 221 14:06:27 -309.767379 15.2850 BFGS: 222 14:06:27 -310.687550 15.3070 BFGS: 223 14:06:27 -311.658373 15.3024 BFGS: 224 14:06:28 -312.702463 15.3350 BFGS: 225 14:06:28 -313.815819 15.3380 BFGS: 226 14:06:29 -315.023578 15.3869 BFGS: 227 14:06:29 -316.324695 15.3935 BFGS: 228 14:06:29 -317.748779 15.4639 BFGS: 229 14:06:30 -319.294120 15.4629 BFGS: 230 14:06:30 -320.991867 15.5387 BFGS: 231 14:06:30 -322.821153 15.5164 BFGS: 232 14:06:31 -324.824678 15.6281 BFGS: 233 14:06:31 -326.820660 15.4770 BFGS: 234 14:06:32 -328.791691 15.2972 BFGS: 235 14:06:32 -330.729860 15.0858 BFGS: 236 14:06:32 -332.523047 14.7524 BFGS: 237 14:06:32 -334.113732 14.2776 BFGS: 238 14:06:33 -335.531516 13.6932 BFGS: 239 14:06:33 -336.847005 13.7437 BFGS: 240 14:06:33 -338.139727 14.2277 BFGS: 241 14:06:34 -339.464385 15.2098 BFGS: 242 14:06:34 -341.220285 16.5091 BFGS: 243 14:06:34 -343.964330 17.0525 BFGS: 244 14:06:35 -347.251763 17.0778 BFGS: 245 14:06:35 -350.440532 17.5377 BFGS: 246 14:06:35 -353.144087 17.5350 BFGS: 247 14:06:36 -355.915043 17.9531 BFGS: 248 14:06:36 -358.638898 18.5796 BFGS: 249 14:06:37 -361.388993 18.9436 BFGS: 250 14:06:37 -364.199143 18.6745 BFGS: 251 14:06:37 -366.924771 17.2764 BFGS: 252 14:06:38 -369.226716 17.6174 BFGS: 253 14:06:38 -371.252538 18.0379 BFGS: 254 14:06:39 -373.201713 18.3404 BFGS: 255 14:06:39 -375.135424 18.5857 BFGS: 256 14:06:39 -377.068615 18.8071 BFGS: 257 14:06:40 -379.002285 19.0162 BFGS: 258 14:06:40 -380.935103 19.2129 BFGS: 259 14:06:40 -382.865437 19.3968 BFGS: 260 14:06:41 -384.789352 19.5717 BFGS: 261 14:06:41 -386.705102 19.7258 BFGS: 262 14:06:42 -388.609485 19.8658 BFGS: 263 14:06:42 -390.504538 19.9915 BFGS: 264 14:06:43 -392.393575 22.2542 BFGS: 265 14:06:43 -394.287031 25.1800 BFGS: 266 14:06:43 -396.187415 28.2405 BFGS: 267 14:06:44 -398.077374 31.2819 BFGS: 268 14:06:44 -399.943434 35.2886 BFGS: 269 14:06:45 -401.723600 38.3353 BFGS: 270 14:06:45 -403.463391 42.9050 BFGS: 271 14:06:46 -405.158679 46.3856 BFGS: 272 14:06:46 -406.886595 51.0084 BFGS: 273 14:06:46 -408.660602 55.3378 BFGS: 274 14:06:47 -410.478850 59.8645 BFGS: 275 14:06:47 -412.221807 63.7182 BFGS: 276 14:06:47 -413.841970 69.5535 BFGS: 277 14:06:48 -415.464712 73.5450 BFGS: 278 14:06:48 -417.048766 77.2971 BFGS: 279 14:06:48 -418.613278 80.6209 BFGS: 280 14:06:49 -420.177636 84.0471 BFGS: 281 14:06:49 -421.759914 87.5194 BFGS: 282 14:06:50 -423.390731 90.8756 BFGS: 283 14:06:50 -425.106448 93.1787 BFGS: 284 14:06:50 -426.874829 93.9043 BFGS: 285 14:06:51 -428.663373 93.0252 BFGS: 286 14:06:51 -430.459951 90.8521 BFGS: 287 14:06:52 -432.261311 87.8485 BFGS: 288 14:06:52 -434.068455 84.3905 BFGS: 289 14:06:53 -435.884993 80.6666 BFGS: 290 14:06:53 -437.725446 76.6767 BFGS: 291 14:06:54 -439.616057 72.2706 BFGS: 292 14:06:54 -441.644135 67.1897 BFGS: 293 14:06:55 -443.917761 61.6911 BFGS: 294 14:06:56 -446.362136 55.8790 BFGS: 295 14:06:56 -449.001957 50.6715 BFGS: 296 14:06:56 -451.662620 45.8584 BFGS: 297 14:06:57 -454.416153 42.0524 BFGS: 298 14:06:57 -457.103467 39.1776 BFGS: 299 14:06:58 -459.720364 37.0180 BFGS: 300 14:06:58 -462.253339 35.3302 BFGS: 301 14:06:59 -464.887208 33.4387 BFGS: 302 14:06:59 -466.872871 33.2306 BFGS: 303 14:06:59 -469.331633 30.8263 BFGS: 304 14:07:00 -471.356544 28.3875 BFGS: 305 14:07:00 -472.953420 27.0590 BFGS: 306 14:07:01 -474.383318 27.1304 BFGS: 307 14:07:01 -475.640995 27.0978 BFGS: 308 14:07:02 -476.818414 27.0332 BFGS: 309 14:07:02 -477.957522 26.9472 BFGS: 310 14:07:02 -479.082847 26.8550 BFGS: 311 14:07:03 -480.213236 26.7631 BFGS: 312 14:07:03 -481.359750 26.6814 BFGS: 313 14:07:04 -482.535929 26.6225 BFGS: 314 14:07:04 -483.752111 26.6020 BFGS: 315 14:07:05 -485.033534 26.6528 BFGS: 316 14:07:05 -486.414287 26.8033 BFGS: 317 14:07:06 -487.967845 27.0284 BFGS: 318 14:07:06 -489.820834 27.0727 BFGS: 319 14:07:06 -491.883745 26.7982 BFGS: 320 14:07:06 -494.032063 26.1973 BFGS: 321 14:07:07 -496.235716 25.3744 BFGS: 322 14:07:07 -498.461242 24.4257 BFGS: 323 14:07:07 -500.686659 23.6355 BFGS: 324 14:07:08 -502.894955 23.3458 BFGS: 325 14:07:08 -505.085292 22.9894 BFGS: 326 14:07:08 -507.223504 22.5761 BFGS: 327 14:07:09 -509.235195 22.1442 BFGS: 328 14:07:10 -511.137131 21.6982 BFGS: 329 14:07:10 -512.917029 21.2678 BFGS: 330 14:07:11 -514.598719 20.8490 BFGS: 331 14:07:11 -516.172832 20.4697 BFGS: 332 14:07:11 -517.667391 20.1150 BFGS: 333 14:07:12 -519.072497 19.8092 BFGS: 334 14:07:12 -520.420359 19.5296 BFGS: 335 14:07:12 -521.695203 19.3005 BFGS: 336 14:07:13 -522.927213 19.1008 BFGS: 337 14:07:13 -524.102404 18.9460 BFGS: 338 14:07:14 -525.249054 18.8218 BFGS: 339 14:07:14 -526.350786 18.7336 BFGS: 340 14:07:14 -527.429879 18.6814 BFGS: 341 14:07:14 -528.475552 18.6560 BFGS: 342 14:07:15 -529.501710 18.6668 BFGS: 343 14:07:15 -530.501878 18.6994 BFGS: 344 14:07:16 -531.483408 18.7649 BFGS: 345 14:07:16 -532.443832 18.8472 BFGS: 346 14:07:17 -533.386495 18.9564 BFGS: 347 14:07:17 -534.308205 19.0779 BFGS: 348 14:07:18 -535.212876 19.2191 BFGS: 349 14:07:18 -536.099704 19.3682 BFGS: 350 14:07:19 -536.969071 19.5308 BFGS: 351 14:07:19 -537.823455 19.6956 BFGS: 352 14:07:19 -538.660617 19.8660 BFGS: 353 14:07:20 -539.483450 20.0344 BFGS: 354 14:07:20 -540.295838 20.2000 BFGS: 355 14:07:21 -541.101086 20.3585 BFGS: 356 14:07:21 -541.900575 20.5108 BFGS: 357 14:07:22 -542.702468 20.6595 BFGS: 358 14:07:22 -543.510608 20.8034 BFGS: 359 14:07:23 -544.325323 20.9402 BFGS: 360 14:07:23 -545.146686 21.0825 BFGS: 361 14:07:24 -545.978257 21.2249 BFGS: 362 14:07:24 -546.818910 21.3668 BFGS: 363 14:07:24 -547.665449 21.5038 BFGS: 364 14:07:25 -548.523209 21.6449 BFGS: 365 14:07:25 -549.394031 21.7807 BFGS: 366 14:07:26 -550.278171 21.9104 BFGS: 367 14:07:26 -551.180380 22.0279 BFGS: 368 14:07:27 -552.109494 22.1388 BFGS: 369 14:07:27 -553.073620 22.2371 BFGS: 370 14:07:27 -554.077922 22.3122 BFGS: 371 14:07:28 -555.061377 22.4944 BFGS: 372 14:07:28 -556.049749 22.7040 BFGS: 373 14:07:29 -557.037772 23.2807 BFGS: 374 14:07:29 -558.025690 23.8527 BFGS: 375 14:07:29 -559.014037 24.4237 BFGS: 376 14:07:30 -559.999703 24.9848 BFGS: 377 14:07:30 -560.981513 25.5233 BFGS: 378 14:07:31 -561.954340 26.0324 BFGS: 379 14:07:31 -562.914812 26.5040 BFGS: 380 14:07:32 -563.856675 26.9326 BFGS: 381 14:07:33 -564.776527 27.3166 BFGS: 382 14:07:33 -565.670528 27.6570 BFGS: 383 14:07:34 -566.540751 27.9621 BFGS: 384 14:07:34 -567.390057 28.2362 BFGS: 385 14:07:35 -568.224526 28.4959 BFGS: 386 14:07:36 -569.047293 28.7253 BFGS: 387 14:07:36 -569.821855 28.9064 BFGS: 388 14:07:37 -570.650788 29.0349 BFGS: 389 14:07:37 -571.484253 29.1301 BFGS: 390 14:07:38 -572.317251 29.2043 BFGS: 391 14:07:38 -573.152124 29.2779 BFGS: 392 14:07:39 -573.990046 29.3501 BFGS: 393 14:07:39 -574.835744 29.4369 BFGS: 394 14:07:39 -575.693980 29.5503 BFGS: 395 14:07:39 -576.574838 29.6879 BFGS: 396 14:07:40 -577.468248 29.8434 BFGS: 397 14:07:40 -578.386663 30.0026 BFGS: 398 14:07:41 -579.319821 30.1632 BFGS: 399 14:07:41 -580.259853 30.3110 BFGS: 400 14:07:42 -581.211107 30.4433 BFGS: 401 14:07:42 -582.170928 30.5582 BFGS: 402 14:07:43 -583.138785 30.6531 BFGS: 403 14:07:44 -584.121235 30.7125 BFGS: 404 14:07:44 -585.120112 30.7244 BFGS: 405 14:07:44 -586.128838 30.7284 BFGS: 406 14:07:44 -587.148494 30.7087 BFGS: 407 14:07:45 -588.171635 30.6800 BFGS: 408 14:07:45 -589.227864 30.6510 BFGS: 409 14:07:45 -590.158572 30.6888 BFGS: 410 14:07:46 -591.217859 30.8944 BFGS: 411 14:07:46 -592.272760 31.0877 BFGS: 412 14:07:47 -593.342292 31.2674 BFGS: 413 14:07:47 -594.426888 31.4399 BFGS: 414 14:07:48 -595.536655 31.6003 BFGS: 415 14:07:48 -596.681015 31.7509 BFGS: 416 14:07:49 -597.858813 31.8846 BFGS: 417 14:07:49 -599.088960 32.0023 BFGS: 418 14:07:50 -600.354222 32.1063 BFGS: 419 14:07:50 -601.672043 32.1833 BFGS: 420 14:07:51 -603.033245 32.2499 BFGS: 421 14:07:51 -604.430053 32.2974 BFGS: 422 14:07:52 -605.881922 32.3261 BFGS: 423 14:07:52 -607.379420 32.3415 BFGS: 424 14:07:53 -608.920610 32.3413 BFGS: 425 14:07:53 -610.501064 32.3250 BFGS: 426 14:07:54 -612.131530 32.2941 BFGS: 427 14:07:54 -613.813522 32.2482 BFGS: 428 14:07:54 -615.536181 32.1947 BFGS: 429 14:07:54 -617.284266 32.1396 BFGS: 430 14:07:54 -619.041417 32.0866 BFGS: 431 14:07:54 -620.820334 32.0395 BFGS: 432 14:07:54 -622.593850 32.0050 BFGS: 433 14:07:54 -624.355039 31.9931 BFGS: 434 14:07:55 -626.075318 32.0113 BFGS: 435 14:07:55 -627.727683 32.0812 BFGS: 436 14:07:55 -629.272615 32.2032 BFGS: 437 14:07:56 -631.123858 31.9842 BFGS: 438 14:07:56 -633.490544 31.7642 BFGS: 439 14:07:57 -635.757174 31.5608 BFGS: 440 14:07:58 -637.841648 31.4210 BFGS: 441 14:07:58 -639.471256 31.4551 BFGS: 442 14:07:58 -641.703564 31.1734 BFGS: 443 14:07:59 -643.757497 30.9306 BFGS: 444 14:07:59 -645.775332 30.7001 BFGS: 445 14:08:00 -647.721715 30.4728 BFGS: 446 14:08:00 -649.606009 30.2647 BFGS: 447 14:08:01 -651.390996 30.0619 BFGS: 448 14:08:01 -653.066768 29.8521 BFGS: 449 14:08:02 -654.646093 29.6327 BFGS: 450 14:08:02 -656.128153 29.3786 BFGS: 451 14:08:03 -657.565935 29.7057 BFGS: 452 14:08:03 -658.923237 30.0912 BFGS: 453 14:08:04 -660.313877 30.4852 BFGS: 454 14:08:04 -661.588242 30.7775 BFGS: 455 14:08:05 -662.994713 31.1464 BFGS: 456 14:08:05 -664.202886 31.3503 BFGS: 457 14:08:06 -665.616110 31.6901 BFGS: 458 14:08:06 -666.834380 31.8574 BFGS: 459 14:08:07 -668.170604 32.1067 BFGS: 460 14:08:07 -669.423500 32.2648 BFGS: 461 14:08:08 -670.722452 32.4539 BFGS: 462 14:08:08 -671.981857 32.5973 BFGS: 463 14:08:09 -673.254590 32.7457 BFGS: 464 14:08:09 -674.508936 32.8677 BFGS: 465 14:08:09 -675.765650 32.9916 BFGS: 466 14:08:10 -677.012030 33.0973 BFGS: 467 14:08:10 -678.261776 33.2101 BFGS: 468 14:08:11 -679.486434 33.2940 BFGS: 469 14:08:11 -680.725953 33.4452 BFGS: 470 14:08:11 -681.943580 33.7850 BFGS: 471 14:08:12 -683.166437 34.1220 BFGS: 472 14:08:12 -684.378282 34.4596 BFGS: 473 14:08:13 -685.586374 34.7972 BFGS: 474 14:08:13 -686.787530 35.1360 BFGS: 475 14:08:14 -687.982032 35.4716 BFGS: 476 14:08:14 -689.172292 35.8124 BFGS: 477 14:08:14 -690.363278 36.1525 BFGS: 478 14:08:15 -691.559258 36.4887 BFGS: 479 14:08:15 -692.761787 36.8220 BFGS: 480 14:08:16 -693.992081 37.1368 BFGS: 481 14:08:17 -695.233053 37.4557 BFGS: 482 14:08:17 -696.527610 37.7414 BFGS: 483 14:08:18 -697.841980 38.0415 BFGS: 484 14:08:18 -699.235106 38.3003 BFGS: 485 14:08:19 -700.664794 38.5755 BFGS: 486 14:08:20 -702.200777 38.8006 BFGS: 487 14:08:20 -703.790675 39.0494 BFGS: 488 14:08:21 -705.514700 39.2428 BFGS: 489 14:08:21 -707.316015 39.4590 BFGS: 490 14:08:21 -709.275479 39.6200 BFGS: 491 14:08:22 -711.342858 39.7999 BFGS: 492 14:08:22 -713.590009 39.9214 BFGS: 493 14:08:23 -715.956900 40.0636 BFGS: 494 14:08:23 -718.522088 40.1220 BFGS: 495 14:08:24 -721.163489 40.2325 BFGS: 496 14:08:25 -724.184207 40.1945 BFGS: 497 14:08:25 -727.063894 40.3599 BFGS: 498 14:08:25 -730.482516 40.1011 BFGS: 499 14:08:26 -733.213090 40.3720 BFGS: 500 14:08:27 -736.108335 40.2183 BFGS: 501 14:08:27 -739.107872 40.2034 BFGS: 502 14:08:28 -741.901527 40.1372 BFGS: 503 14:08:28 -744.755129 39.8278 BFGS: 504 14:08:29 -747.622409 39.5361 BFGS: 505 14:08:30 -750.607282 38.8315 BFGS: 506 14:08:30 -753.698572 38.1505 BFGS: 507 14:08:31 -756.973572 37.3154 BFGS: 508 14:08:32 -760.417621 36.9153 BFGS: 509 14:08:32 -764.197245 35.7547 BFGS: 510 14:08:33 -768.211186 35.0128 BFGS: 511 14:08:33 -771.699423 32.2932 BFGS: 512 14:08:34 -775.452347 31.8861 BFGS: 513 14:08:34 -778.752133 27.3555 BFGS: 514 14:08:35 -782.373980 25.6209 BFGS: 515 14:08:35 -786.528358 22.0774 BFGS: 516 14:08:36 -790.311319 20.3268 BFGS: 517 14:08:36 -794.324253 18.5400 BFGS: 518 14:08:37 -796.511265 18.8041 BFGS: 519 14:08:37 -798.766096 18.8035 BFGS: 520 14:08:38 -800.611750 19.1377 BFGS: 521 14:08:38 -802.671511 19.3553 BFGS: 522 14:08:39 -804.654357 19.7946 BFGS: 523 14:08:39 -806.797182 20.2447 BFGS: 524 14:08:39 -808.970971 20.8203 BFGS: 525 14:08:40 -811.158448 21.4275 BFGS: 526 14:08:40 -813.203654 22.0111 BFGS: 527 14:08:41 -815.198880 22.2798 BFGS: 528 14:08:41 -817.239316 22.0354 BFGS: 529 14:08:42 -819.826842 21.4572 BFGS: 530 14:08:42 -822.537428 20.1249 BFGS: 531 14:08:43 -825.025818 19.3959 BFGS: 532 14:08:43 -827.256528 20.0250 BFGS: 533 14:08:44 -829.240398 20.4920 BFGS: 534 14:08:45 -831.029374 20.7486 BFGS: 535 14:08:45 -832.659097 20.8200 BFGS: 536 14:08:46 -834.168489 20.6607 BFGS: 537 14:08:46 -835.587620 20.3010 BFGS: 538 14:08:46 -836.943756 19.7059 BFGS: 539 14:08:47 -838.266550 18.8881 BFGS: 540 14:08:47 -839.581770 17.8186 BFGS: 541 14:08:48 -840.920573 18.0335 BFGS: 542 14:08:49 -842.309604 19.0372 BFGS: 543 14:08:50 -843.777705 19.8820 BFGS: 544 14:08:50 -845.351041 20.5569 BFGS: 545 14:08:50 -847.069338 20.9824 BFGS: 546 14:08:51 -848.968451 21.1505 BFGS: 547 14:08:51 -851.116980 20.9134 BFGS: 548 14:08:52 -853.473483 20.3019 BFGS: 549 14:08:52 -855.585283 19.2658 BFGS: 550 14:08:52 -856.937526 18.5501 BFGS: 551 14:08:53 -858.043449 17.7544 BFGS: 552 14:08:54 -858.977098 17.1803 BFGS: 553 14:08:54 -859.839792 16.4790 BFGS: 554 14:08:55 -860.615227 15.9494 BFGS: 555 14:08:55 -861.353224 15.3245 BFGS: 556 14:08:56 -862.038431 14.7870 BFGS: 557 14:08:56 -862.693789 14.1894 BFGS: 558 14:08:57 -863.312225 13.6187 BFGS: 559 14:08:58 -863.904454 13.1937 BFGS: 560 14:08:58 -864.468328 13.4509 BFGS: 561 14:08:59 -865.009758 13.6536 BFGS: 562 14:08:59 -865.530004 13.8830 BFGS: 563 14:09:00 -866.032567 14.0803 BFGS: 564 14:09:00 -866.522349 14.3003 BFGS: 565 14:09:01 -867.004776 14.4976 BFGS: 566 14:09:02 -867.486525 14.7130 BFGS: 567 14:09:02 -867.976523 14.9095 BFGS: 568 14:09:03 -868.483222 15.1025 BFGS: 569 14:09:04 -869.016731 15.2345 BFGS: 570 14:09:04 -869.594653 15.2819 BFGS: 571 14:09:05 -870.255700 15.1781 BFGS: 572 14:09:05 -871.116559 15.1857 BFGS: 573 14:09:06 -872.110886 16.8106 BFGS: 574 14:09:07 -872.885771 18.5788 BFGS: 575 14:09:07 -873.512290 18.8969 BFGS: 576 14:09:08 -873.893409 18.8342 BFGS: 577 14:09:09 -874.094775 18.1549 BFGS: 578 14:09:09 -874.248459 18.1329 BFGS: 579 14:09:10 -874.405905 17.6645 BFGS: 580 14:09:11 -874.815099 15.5170 BFGS: 581 14:09:11 -875.154153 15.6569 BFGS: 582 14:09:12 -875.543664 12.9850 BFGS: 583 14:09:12 -876.055612 13.0275 BFGS: 584 14:09:13 -876.629503 11.4757 BFGS: 585 14:09:14 -877.307774 10.4594 BFGS: 586 14:09:15 -877.834991 10.8046 BFGS: 587 14:09:15 -878.274340 10.7093 BFGS: 588 14:09:15 -878.675123 10.4002 BFGS: 589 14:09:16 -879.059125 10.0836 BFGS: 590 14:09:16 -879.478664 10.4234 BFGS: 591 14:09:17 -879.955615 10.3047 BFGS: 592 14:09:17 -880.320427 10.1864 BFGS: 593 14:09:18 -880.638765 9.8105 BFGS: 594 14:09:18 -880.998364 9.3514 BFGS: 595 14:09:18 -881.445278 8.7864 BFGS: 596 14:09:19 -881.911123 8.5410 BFGS: 597 14:09:19 -882.345008 8.2807 BFGS: 598 14:09:20 -882.809973 7.9305 BFGS: 599 14:09:20 -883.296692 6.8729 BFGS: 600 14:09:21 -883.773688 6.4291 BFGS: 601 14:09:22 -884.255318 5.7525 BFGS: 602 14:09:22 -884.514613 6.1220 BFGS: 603 14:09:22 -884.739060 5.9034 BFGS: 604 14:09:23 -884.898860 5.9438 BFGS: 605 14:09:24 -885.038435 6.0796 BFGS: 606 14:09:24 -885.198849 6.2297 BFGS: 607 14:09:25 -885.378200 6.4474 BFGS: 608 14:09:26 -885.525368 6.5288 BFGS: 609 14:09:26 -885.676201 6.5502 BFGS: 610 14:09:26 -885.810127 6.3562 BFGS: 611 14:09:26 -885.930074 6.0503 BFGS: 612 14:09:27 -886.040549 5.6328 BFGS: 613 14:09:27 -886.184595 5.1927 BFGS: 614 14:09:27 -886.355145 4.7612 BFGS: 615 14:09:27 -886.509516 4.5410 BFGS: 616 14:09:27 -886.626325 4.4319 BFGS: 617 14:09:27 -886.730610 4.5066 BFGS: 618 14:09:27 -886.806951 4.7783 BFGS: 619 14:09:28 -886.883468 5.0329 BFGS: 620 14:09:28 -887.009638 5.1767 BFGS: 621 14:09:28 -887.340471 5.5621 BFGS: 622 14:09:28 -887.819375 5.8100 BFGS: 623 14:09:28 -888.346084 5.7778 BFGS: 624 14:09:29 -888.750625 5.4794 BFGS: 625 14:09:29 -889.004381 4.9741 BFGS: 626 14:09:30 -889.113521 4.6716 BFGS: 627 14:09:31 -889.228918 4.8895 BFGS: 628 14:09:31 -889.262074 5.0715 BFGS: 629 14:09:32 -889.282578 5.0096 BFGS: 630 14:09:32 -889.306275 4.8361 BFGS: 631 14:09:33 -889.347390 4.4532 BFGS: 632 14:09:33 -889.422859 4.3939 BFGS: 633 14:09:34 -889.540605 4.2912 BFGS: 634 14:09:35 -889.676373 4.1057 BFGS: 635 14:09:36 -889.762449 3.9226 BFGS: 636 14:09:37 -889.791315 3.7463 BFGS: 637 14:09:37 -889.803472 3.6552 BFGS: 638 14:09:38 -889.814489 3.5293 BFGS: 639 14:09:39 -889.827736 3.4848 BFGS: 640 14:09:39 -889.856715 3.4275 BFGS: 641 14:09:40 -889.914749 3.6194 BFGS: 642 14:09:41 -890.041370 3.8961 BFGS: 643 14:09:41 -890.219124 4.0910 BFGS: 644 14:09:42 -890.370177 4.1451 BFGS: 645 14:09:43 -890.429039 4.0302 BFGS: 646 14:09:43 -890.443099 3.8283 BFGS: 647 14:09:44 -890.451187 3.7451 BFGS: 648 14:09:44 -890.464536 3.6342 BFGS: 649 14:09:44 -890.534919 3.6491 BFGS: 650 14:09:45 -890.819774 3.4998 BFGS: 651 14:09:45 -891.332316 3.8009 BFGS: 652 14:09:46 -892.012225 4.1354 BFGS: 653 14:09:46 -892.675025 4.5429 BFGS: 654 14:09:47 -893.330496 5.4074 BFGS: 655 14:09:48 -893.929759 6.0732 BFGS: 656 14:09:48 -894.483307 6.5455 BFGS: 657 14:09:49 -894.925578 6.9072 BFGS: 658 14:09:49 -895.309084 6.8917 BFGS: 659 14:09:50 -895.662918 6.9298 BFGS: 660 14:09:50 -895.989590 6.6833 BFGS: 661 14:09:51 -896.319813 6.5365 BFGS: 662 14:09:52 -896.626842 6.1716 BFGS: 663 14:09:52 -896.944258 5.9869 BFGS: 664 14:09:53 -897.234538 5.7802 BFGS: 665 14:09:54 -897.530442 5.9243 BFGS: 666 14:09:54 -897.807769 6.0605 BFGS: 667 14:09:55 -898.081414 6.2002 BFGS: 668 14:09:55 -898.340125 6.3356 BFGS: 669 14:09:56 -898.592947 6.5564 BFGS: 670 14:09:56 -898.834528 6.7519 BFGS: 671 14:09:57 -899.068537 7.0553 BFGS: 672 14:09:57 -899.295018 7.2425 BFGS: 673 14:09:58 -899.514554 7.5204 BFGS: 674 14:09:58 -899.728527 7.6973 BFGS: 675 14:09:59 -899.937729 7.9487 BFGS: 676 14:09:59 -900.143173 8.1079 BFGS: 677 14:09:59 -900.344668 8.3601 BFGS: 678 14:10:00 -900.543630 8.5934 BFGS: 679 14:10:00 -900.740004 8.8612 BFGS: 680 14:10:01 -900.935863 9.0670 BFGS: 681 14:10:01 -901.128597 9.3207 BFGS: 682 14:10:01 -901.323463 9.4953 BFGS: 683 14:10:02 -901.515191 9.7391 BFGS: 684 14:10:02 -901.710452 9.8905 BFGS: 685 14:10:02 -901.903060 10.1110 BFGS: 686 14:10:03 -902.102060 10.2476 BFGS: 687 14:10:03 -902.298666 10.4352 BFGS: 688 14:10:03 -902.500784 10.5656 BFGS: 689 14:10:04 -902.701422 10.7200 BFGS: 690 14:10:04 -902.908893 10.8449 BFGS: 691 14:10:05 -903.111706 10.9806 BFGS: 692 14:10:05 -903.324880 11.1035 BFGS: 693 14:10:06 -903.530451 11.2083 BFGS: 694 14:10:06 -903.751409 11.3443 BFGS: 695 14:10:06 -903.957374 11.4094 BFGS: 696 14:10:07 -904.185624 11.5744 BFGS: 697 14:10:07 -904.394554 11.6059 BFGS: 698 14:10:08 -904.623340 11.7654 BFGS: 699 14:10:08 -904.845246 11.8121 BFGS: 700 14:10:08 -905.070967 11.9230 BFGS: 701 14:10:09 -905.304024 12.0048 BFGS: 702 14:10:09 -905.537536 12.0796 BFGS: 703 14:10:10 -905.778240 12.1879 BFGS: 704 14:10:10 -906.021813 12.2148 BFGS: 705 14:10:10 -906.254417 12.3773 BFGS: 706 14:10:11 -906.512254 12.3809 BFGS: 707 14:10:11 -906.745009 12.4986 BFGS: 708 14:10:12 -907.000180 12.5590 BFGS: 709 14:10:12 -907.243221 12.6353 BFGS: 710 14:10:13 -907.505717 12.6798 BFGS: 711 14:10:13 -907.761254 12.7018 BFGS: 712 14:10:13 -908.004220 12.6393 BFGS: 713 14:10:14 -908.289330 12.3610 BFGS: 714 14:10:14 -908.548381 11.9817 BFGS: 715 14:10:15 -908.776631 11.4081 BFGS: 716 14:10:15 -908.984664 11.0463 BFGS: 717 14:10:15 -909.117857 10.7415 BFGS: 718 14:10:15 -909.203333 10.7322 BFGS: 719 14:10:15 -909.262472 10.7609 BFGS: 720 14:10:16 -909.355011 10.8957 BFGS: 721 14:10:16 -909.433874 10.8968 BFGS: 722 14:10:16 -909.486239 10.7175 BFGS: 723 14:10:16 -909.537422 10.3271 BFGS: 724 14:10:17 -909.591183 10.0864 BFGS: 725 14:10:18 -909.648744 9.8841 BFGS: 726 14:10:18 -909.695599 9.6007 BFGS: 727 14:10:19 -909.732861 9.2565 BFGS: 728 14:10:19 -909.765692 9.1643 BFGS: 729 14:10:19 -909.798051 9.1750 BFGS: 730 14:10:20 -909.853750 9.1850 BFGS: 731 14:10:20 -909.942029 9.3257 BFGS: 732 14:10:20 -910.103385 9.7310 BFGS: 733 14:10:21 -910.388034 10.1170 BFGS: 734 14:10:21 -910.872058 10.1990 BFGS: 735 14:10:21 -911.482642 9.9698 BFGS: 736 14:10:22 -912.145718 11.1589 BFGS: 737 14:10:23 -912.811811 10.5640 BFGS: 738 14:10:23 -913.303776 9.4231 BFGS: 739 14:10:24 -913.746886 8.8996 BFGS: 740 14:10:25 -913.934364 8.6873 BFGS: 741 14:10:25 -914.170090 8.6022 BFGS: 742 14:10:26 -914.438441 7.4151 BFGS: 743 14:10:26 -914.508961 6.7387 BFGS: 744 14:10:27 -914.553254 6.0056 BFGS: 745 14:10:27 -914.567892 6.0027 BFGS: 746 14:10:28 -914.577922 6.0063 BFGS: 747 14:10:29 -914.581181 6.0791 BFGS: 748 14:10:29 -914.584845 6.2653 BFGS: 749 14:10:29 -914.586531 6.3515 BFGS: 750 14:10:30 -914.590711 6.5178 BFGS: 751 14:10:30 -914.595103 6.5979 BFGS: 752 14:10:31 -914.604244 6.6618 BFGS: 753 14:10:31 -914.621469 6.6695 BFGS: 754 14:10:32 -914.661457 6.6173 BFGS: 755 14:10:32 -914.753320 6.7500 BFGS: 756 14:10:32 -914.973374 6.8780 BFGS: 757 14:10:33 -915.457913 6.8348 BFGS: 758 14:10:33 -916.091042 6.4368 BFGS: 759 14:10:34 -916.888191 5.6582 BFGS: 760 14:10:34 -917.811643 5.5255 BFGS: 761 14:10:35 -918.747649 6.0436 BFGS: 762 14:10:35 -919.261019 5.9293 BFGS: 763 14:10:35 -919.385311 5.0786 BFGS: 764 14:10:36 -919.456343 3.7492 BFGS: 765 14:10:36 -919.475056 3.8042 BFGS: 766 14:10:37 -919.501256 4.1878 BFGS: 767 14:10:38 -919.506603 4.4571 BFGS: 768 14:10:38 -919.509392 4.5055 BFGS: 769 14:10:39 -919.510655 4.4698 BFGS: 770 14:10:39 -919.511191 4.4390 BFGS: 771 14:10:40 -919.511409 4.3998 BFGS: 772 14:10:40 -919.511452 4.3938 BFGS: 773 14:10:41 -919.511542 4.3820 BFGS: 774 14:10:41 -919.511686 4.3693 BFGS: 775 14:10:42 -919.512111 4.3467 BFGS: 776 14:10:42 -919.513163 4.3131 BFGS: 777 14:10:43 -919.515992 4.2603 BFGS: 778 14:10:43 -919.523328 4.1825 BFGS: 779 14:10:44 -919.542701 4.0746 BFGS: 780 14:10:44 -919.593604 3.9659 BFGS: 781 14:10:45 -919.726280 3.9304 BFGS: 782 14:10:45 -920.085770 4.3739 BFGS: 783 14:10:46 -920.704204 6.1307 BFGS: 784 14:10:46 -921.415986 7.4234 BFGS: 785 14:10:46 -922.231613 8.4754 BFGS: 786 14:10:46 -923.158188 9.3569 BFGS: 787 14:10:47 -924.219919 9.9831 BFGS: 788 14:10:47 -925.347273 10.0963 BFGS: 789 14:10:47 -926.347113 9.6946 BFGS: 790 14:10:48 -927.302676 8.7895 BFGS: 791 14:10:48 -928.211153 7.5910 BFGS: 792 14:10:48 -928.955585 6.1235 BFGS: 793 14:10:49 -929.614314 5.4590 BFGS: 794 14:10:49 -929.985200 4.8924 BFGS: 795 14:10:49 -930.310212 4.0784 BFGS: 796 14:10:50 -930.483713 3.9152 BFGS: 797 14:10:50 -930.657226 4.2334 BFGS: 798 14:10:50 -930.839001 5.0101 BFGS: 799 14:10:50 -931.054939 5.4446 BFGS: 800 14:10:51 -931.339230 5.5033 BFGS: 801 14:10:51 -931.705802 5.5277 BFGS: 802 14:10:52 -932.190700 5.0423 BFGS: 803 14:10:52 -932.775015 5.9123 BFGS: 804 14:10:52 -933.463815 6.8613 BFGS: 805 14:10:53 -934.043894 8.2187 BFGS: 806 14:10:53 -934.545222 8.7021 BFGS: 807 14:10:53 -934.872872 8.6084 BFGS: 808 14:10:54 -935.214905 7.4946 BFGS: 809 14:10:54 -935.512867 7.8847 BFGS: 810 14:10:54 -935.722053 7.1358 BFGS: 811 14:10:54 -935.891253 6.5524 BFGS: 812 14:10:55 -936.036154 5.5911 BFGS: 813 14:10:55 -936.119228 5.2333 BFGS: 814 14:10:56 -936.175897 5.0152 BFGS: 815 14:10:56 -936.239041 4.8507 BFGS: 816 14:10:56 -936.295298 4.9430 BFGS: 817 14:10:57 -936.326218 5.2193 BFGS: 818 14:10:57 -936.364792 5.4164 BFGS: 819 14:10:57 -936.394711 5.5459 BFGS: 820 14:10:58 -936.414185 5.4444 BFGS: 821 14:10:58 -936.423513 5.3506 BFGS: 822 14:10:58 -936.428329 5.2455 BFGS: 823 14:10:59 -936.431039 5.1788 BFGS: 824 14:10:59 -936.432658 5.1318 BFGS: 825 14:10:59 -936.433709 5.1132 BFGS: 826 14:11:00 -936.434269 5.1096 BFGS: 827 14:11:00 -936.434562 5.1172 BFGS: 828 14:11:00 -936.434705 5.1214 BFGS: 829 14:11:01 -936.434790 5.1277 BFGS: 830 14:11:01 -936.434841 5.1280 BFGS: 831 14:11:01 -936.434881 5.1284 BFGS: 832 14:11:02 -936.434902 5.1253 BFGS: 833 14:11:02 -936.434915 5.1234 BFGS: 834 14:11:02 -936.434920 5.1215 BFGS: 835 14:11:02 -936.434924 5.1205 BFGS: 836 14:11:03 -936.434925 5.1201 BFGS: 837 14:11:03 -936.434925 5.1197 BFGS: 838 14:11:04 -936.434926 5.1196 BFGS: 839 14:11:04 -936.434926 5.1194 BFGS: 840 14:11:04 -936.434926 5.1190 BFGS: 841 14:11:05 -936.434927 5.1183 BFGS: 842 14:11:05 -936.434927 5.1174 BFGS: 843 14:11:05 -936.434929 5.1160 BFGS: 844 14:11:06 -936.434933 5.1140 BFGS: 845 14:11:06 -936.434943 5.1109 BFGS: 846 14:11:06 -936.434968 5.1060 BFGS: 847 14:11:07 -936.435034 5.0982 BFGS: 848 14:11:07 -936.435205 5.0857 BFGS: 849 14:11:08 -936.435654 5.0654 BFGS: 850 14:11:08 -936.436829 5.0324 BFGS: 851 14:11:08 -936.439911 4.9781 BFGS: 852 14:11:09 -936.447994 5.0290 BFGS: 853 14:11:09 -936.468687 5.1387 BFGS: 854 14:11:09 -936.523913 5.3039 BFGS: 855 14:11:10 -936.665110 5.5404 BFGS: 856 14:11:10 -937.023456 5.8138 BFGS: 857 14:11:11 -937.596557 6.0280 BFGS: 858 14:11:11 -938.287816 6.5729 BFGS: 859 14:11:12 -939.068088 6.6943 BFGS: 860 14:11:12 -939.886405 6.4758 BFGS: 861 14:11:13 -940.718024 5.9809 BFGS: 862 14:11:13 -941.512336 5.2344 BFGS: 863 14:11:13 -942.234586 4.2958 BFGS: 864 14:11:14 -942.838882 3.1695 BFGS: 865 14:11:14 -943.285087 1.8505 BFGS: 866 14:11:15 -943.514574 1.1883 BFGS: 867 14:11:15 -943.527387 0.9748 BFGS: 868 14:11:16 -943.527884 0.9616 BFGS: 869 14:11:16 -943.528102 0.9667 BFGS: 870 14:11:17 -943.528191 0.9712 BFGS: 871 14:11:17 -943.528233 0.9740 BFGS: 872 14:11:17 -943.528242 0.9732 BFGS: 873 14:11:18 -943.528254 0.9719 BFGS: 874 14:11:18 -943.528261 0.9712 BFGS: 875 14:11:18 -943.528283 0.9699 BFGS: 876 14:11:19 -943.528324 0.9691 BFGS: 877 14:11:19 -943.528434 0.9682 BFGS: 878 14:11:19 -943.528706 0.9676 BFGS: 879 14:11:20 -943.529419 0.9666 BFGS: 880 14:11:20 -943.531247 0.9789 BFGS: 881 14:11:20 -943.535915 1.0318 BFGS: 882 14:11:21 -943.547366 1.1159 BFGS: 883 14:11:21 -943.572885 1.3254 BFGS: 884 14:11:22 -943.618044 1.4272 BFGS: 885 14:11:22 -943.667088 1.0562 BFGS: 886 14:11:22 -943.691598 0.6049 BFGS: 887 14:11:22 -943.696123 0.5571 BFGS: 888 14:11:23 -943.696463 0.5444 BFGS: 889 14:11:23 -943.696526 0.5418 BFGS: 890 14:11:24 -943.696582 0.5386 BFGS: 891 14:11:24 -943.696612 0.5376 BFGS: 892 14:11:24 -943.696801 0.5333 BFGS: 893 14:11:25 -943.697175 0.5259 BFGS: 894 14:11:25 -943.698239 0.5084 BFGS: 895 14:11:26 -943.700765 0.4699 BFGS: 896 14:11:26 -943.706461 0.3878 BFGS: 897 14:11:26 -943.717146 0.3807 BFGS: 898 14:11:27 -943.729585 0.3143 BFGS: 899 14:11:27 -943.736729 0.1476 BFGS: 900 14:11:27 -943.738246 0.0290 BFGS: 901 14:11:28 -943.738334 0.0090 BFGS: 902 14:11:28 -943.738337 0.0038 BFGS: 903 14:11:28 -943.738337 0.0003 BFGS: 904 14:11:29 -943.738337 0.0001 BFGS: 905 14:11:29 -943.738337 0.0000 BFGS: 906 14:11:30 -943.738337 0.0000 BFGS: 907 14:11:30 -943.738337 0.0000 BFGS: 908 14:11:30 -943.738337 0.0000 BFGS: 909 14:11:31 -943.738337 0.0000 BFGS: 910 14:11:31 -943.738337 0.0000 BFGS: 911 14:11:31 -943.738337 0.0000 BFGS: 912 14:11:32 -943.738337 0.0000 Minimization converged after 912 steps. Maximum force component: 6.891413324990417e-09 eV/Angstrom Maximum stress component: 6.864319560287969e-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', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.13136302 0.38568621 0.91713177] [0.36863698 0.61431379 0.41713177] [0.86863698 0.88568621 0.58286823] [0.63136302 0.11431379 0.08286823] [0.12788995 0.40882507 0.04304686] [0.37211005 0.59117493 0.54304686] [0.87211005 0.90882507 0.45695314] [0.62788995 0.09117493 0.95695314] [0.23962886 0.3229005 0.8219578 ] [0.26037114 0.6770995 0.3219578 ] [0.76037114 0.8229005 0.6780422 ] [0.73962886 0.1770995 0.1780422 ] [0.89263402 0.27324601 0.21577562] [0.60736598 0.72675399 0.71577562] [0.10736598 0.77324601 0.28422438] [0.39263402 0.22675399 0.78422438] [0.89720925 0.40906711 0.23996847] [0.60279075 0.59093289 0.73996847] [0.10279075 0.90906711 0.26003153] [0.39720925 0.09093289 0.76003153] [0.97011267 0.8618038 0.35079387] [0.52988733 0.1381962 0.85079387] [0.02988733 0.3618038 0.14920613] [0.47011267 0.6381962 0.64920613] [0.10844639 0.57376512 0.16989422] [0.39155361 0.42623488 0.66989422] [0.89155361 0.07376512 0.33010578] [0.60844639 0.92623488 0.83010578] [0.12942771 0.09127743 0.01710902] [0.37057229 0.90872257 0.51710902] [0.87057229 0.59127743 0.48289098] [0.62942771 0.40872257 0.98289098] [0.38490387 0.30604513 0.34380132] [0.11509613 0.69395487 0.84380132] [0.61509613 0.80604513 0.15619868] [0.88490387 0.19395487 0.65619868]] cellpar = Cell([2.7220811385080244, 4.507052680279156, 4.970535162219748]) forces = [[ 1.30213919e-09 8.27451191e-10 -3.56003481e-09] [-1.30213919e-09 -8.27451191e-10 -3.56003481e-09] [-1.30213919e-09 8.27451191e-10 3.56003481e-09] [ 1.30213919e-09 -8.27451191e-10 3.56003481e-09] [-6.20661953e-10 2.36001011e-09 5.01093957e-09] [ 6.20661953e-10 -2.36001011e-09 5.01093957e-09] [ 6.20661953e-10 2.36001011e-09 -5.01093957e-09] [-6.20661953e-10 -2.36001011e-09 -5.01093957e-09] [ 5.44226839e-11 2.76554181e-09 1.34154843e-10] [-5.44226839e-11 -2.76554181e-09 1.34154843e-10] [-5.44226839e-11 2.76554181e-09 -1.34154843e-10] [ 5.44226839e-11 -2.76554181e-09 -1.34154843e-10] [ 4.80925877e-10 6.89141332e-09 4.65857982e-09] [-4.80925877e-10 -6.89141332e-09 4.65857982e-09] [-4.80925877e-10 6.89141332e-09 -4.65857982e-09] [ 4.80925877e-10 -6.89141332e-09 -4.65857982e-09] [-8.66791430e-10 -4.55597496e-09 -1.85764094e-09] [ 8.66791430e-10 4.55597496e-09 -1.85764094e-09] [ 8.66791430e-10 -4.55597496e-09 1.85764094e-09] [-8.66791430e-10 4.55597496e-09 1.85764094e-09] [-9.05899662e-10 1.25930572e-09 1.23169346e-09] [ 9.05899662e-10 -1.25930572e-09 1.23169346e-09] [ 9.05899662e-10 1.25930572e-09 -1.23169346e-09] [-9.05899662e-10 -1.25930572e-09 -1.23169346e-09] [-1.68666502e-09 -1.28446136e-10 2.43594027e-09] [ 1.68666502e-09 1.28446136e-10 2.43594027e-09] [ 1.68666502e-09 -1.28446136e-10 -2.43594027e-09] [-1.68666502e-09 1.28446136e-10 -2.43594027e-09] [-1.99370762e-09 -1.35106730e-09 -1.51455710e-09] [ 1.99370762e-09 1.35106730e-09 -1.51455710e-09] [ 1.99370762e-09 -1.35106730e-09 1.51455710e-09] [-1.99370762e-09 1.35106730e-09 1.51455710e-09] [ 3.27738989e-09 -3.36048539e-09 1.54595656e-09] [-3.27738989e-09 3.36048539e-09 1.54595656e-09] [-3.27738989e-09 -3.36048539e-09 -1.54595656e-09] [ 3.27738989e-09 3.36048539e-09 -1.54595656e-09]] stress = [4.93072453e-10 6.86431956e-10 4.02308343e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -26.21495380525316 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0