element(s): ['O', 'Si'] AFLOW prototype label: A2B_aP54_1_36a_18a Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25', 'x26', 'y26', 'z26', 'x27', 'y27', 'z27', 'x28', 'y28', 'z28', 'x29', 'y29', 'z29', 'x30', 'y30', 'z30', 'x31', 'y31', 'z31', 'x32', 'y32', 'z32', 'x33', 'y33', 'z33', 'x34', 'y34', 'z34', 'x35', 'y35', 'z35', 'x36', 'y36', 'z36', 'x37', 'y37', 'z37', 'x38', 'y38', 'z38', 'x39', 'y39', 'z39', 'x40', 'y40', 'z40', 'x41', 'y41', 'z41', 'x42', 'y42', 'z42', 'x43', 'y43', 'z43', 'x44', 'y44', 'z44', 'x45', 'y45', 'z45', 'x46', 'y46', 'z46', 'x47', 'y47', 'z47', 'x48', 'y48', 'z48', 'x49', 'y49', 'z49', 'x50', 'y50', 'z50', 'x51', 'y51', 'z51', 'x52', 'y52', 'z52', 'x53', 'y53', 'z53', 'x54', 'y54', 'z54'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.3202', '1.0000361', '1.2523136', '89.9705', '89.9357', '60.0159', '0.16841807', '0.14538823', '0.3283839', '0.50129264', '0.97636214', '0.4951613', '0.16772974', '0.64322092', '0.82826767', '0.83586429', '0.81102011', '0.16177783', '0.50187776', '0.47712378', '0.49486749', '0.16759484', '0.14315026', '0.82854154', '0.33170648', '0.81279485', '0.16202791', '4.7266743e-05', '0.47856483', '0.49491902', '0.66745447', '0.14445826', '0.82868691', '0.50286877', '0.47791053', '0.74256875', '0.83388995', '0.8113079', '0.6619956', '0.50129427', '0.47813422', '0.99491978', '0.17000663', '0.64170147', '0.32842022', '0.83490331', '0.31059238', '0.6616935', '0.50265842', '0.97525496', '0.99529454', '0.66494074', '0.14464647', '0.32856023', '0.33440054', '0.81003778', '0.66176605', '0.99982852', '0.47735642', '0.99484438', '0.5038431', '0.97223379', '0.24283776', '0.8355214', '0.30783606', '0.1615761', '0.83748836', '0.81270284', '0.40936147', '0.17046774', '0.14599636', '0.076034324', '0.33037201', '0.81324858', '0.4096941', '0.99832346', '0.47915726', '0.74264889', '0.6630945', '0.14662828', '0.076212693', '0.83625802', '0.30591232', '0.40916067', '0.50156492', '0.97458405', '0.7429329', '0.16962555', '0.63926541', '0.075956058', '0.83622246', '0.81275723', '0.90953505', '0.50404499', '0.48080864', '0.24247842', '0.66397955', '0.14542994', '0.5763794', '0.33103474', '0.81149767', '0.90942846', '0.99641919', '0.47918885', '0.24248924', '0.16978535', '0.64087147', '0.57607738', '0.83602194', '0.307634', '0.90943002', '0.16916413', '0.14651874', '0.57605857', '0.29289799', '0.019864135', '0.45227472', '0.95940805', '0.68614336', '0.78555819', '0.6264062', '0.3529395', '0.11873453', '0.66712847', '0.26862175', '0.45228298', '0.33369741', '0.93529372', '0.78562206', '0.00025401606', '0.60232371', '0.11863546', '0.043715047', '0.64352185', '0.45216994', '0.70976029', '0.31016807', '0.78561834', '0.37659026', '0.97681228', '0.11914487', '0.33425678', '0.68650196', '0.28585589', '0.66740546', '0.019324179', '0.95255163', '0.0005829139', '0.35318287', '0.61882564', '0.71001143', '0.93563212', '0.28573879', '0.042947091', '0.26880363', '0.95238364', '0.37669737', '0.60197813', '0.6188584', '0.95965243', '0.30963278', '0.2854007', '0.29282239', '0.64294248', '0.95208091', '0.62567829', '0.97696645', '0.6191752'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[1.6841807e-01 1.4538823e-01 3.2838390e-01] [5.0129264e-01 9.7636214e-01 4.9516130e-01] [1.6772974e-01 6.4322092e-01 8.2826767e-01] [8.3586429e-01 8.1102011e-01 1.6177783e-01] [5.0187776e-01 4.7712378e-01 4.9486749e-01] [1.6759484e-01 1.4315026e-01 8.2854154e-01] [3.3170648e-01 8.1279485e-01 1.6202791e-01] [4.7266743e-05 4.7856483e-01 4.9491902e-01] [6.6745447e-01 1.4445826e-01 8.2868691e-01] [5.0286877e-01 4.7791053e-01 7.4256875e-01] [8.3388995e-01 8.1130790e-01 6.6199560e-01] [5.0129427e-01 4.7813422e-01 9.9491978e-01] [1.7000663e-01 6.4170147e-01 3.2842022e-01] [8.3490331e-01 3.1059238e-01 6.6169350e-01] [5.0265842e-01 9.7525496e-01 9.9529454e-01] [6.6494074e-01 1.4464647e-01 3.2856023e-01] [3.3440054e-01 8.1003778e-01 6.6176605e-01] [9.9982852e-01 4.7735642e-01 9.9484438e-01] [5.0384310e-01 9.7223379e-01 2.4283776e-01] [8.3552140e-01 3.0783606e-01 1.6157610e-01] [8.3748836e-01 8.1270284e-01 4.0936147e-01] [1.7046774e-01 1.4599636e-01 7.6034324e-02] [3.3037201e-01 8.1324858e-01 4.0969410e-01] [9.9832346e-01 4.7915726e-01 7.4264889e-01] [6.6309450e-01 1.4662828e-01 7.6212693e-02] [8.3625802e-01 3.0591232e-01 4.0916067e-01] [5.0156492e-01 9.7458405e-01 7.4293290e-01] [1.6962555e-01 6.3926541e-01 7.5956058e-02] [8.3622246e-01 8.1275723e-01 9.0953505e-01] [5.0404499e-01 4.8080864e-01 2.4247842e-01] [6.6397955e-01 1.4542994e-01 5.7637940e-01] [3.3103474e-01 8.1149767e-01 9.0942846e-01] [9.9641919e-01 4.7918885e-01 2.4248924e-01] [1.6978535e-01 6.4087147e-01 5.7607738e-01] [8.3602194e-01 3.0763400e-01 9.0943002e-01] [1.6916413e-01 1.4651874e-01 5.7605857e-01] [2.9289799e-01 1.9864135e-02 4.5227472e-01] [9.5940805e-01 6.8614336e-01 7.8555819e-01] [6.2640620e-01 3.5293950e-01 1.1873453e-01] [6.6712847e-01 2.6862175e-01 4.5228298e-01] [3.3369741e-01 9.3529372e-01 7.8562206e-01] [2.5401606e-04 6.0232371e-01 1.1863546e-01] [4.3715047e-02 6.4352185e-01 4.5216994e-01] [7.0976029e-01 3.1016807e-01 7.8561834e-01] [3.7659026e-01 9.7681228e-01 1.1914487e-01] [3.3425678e-01 6.8650196e-01 2.8585589e-01] [6.6740546e-01 1.9324179e-02 9.5255163e-01] [5.8291390e-04 3.5318287e-01 6.1882564e-01] [7.1001143e-01 9.3563212e-01 2.8573879e-01] [4.2947091e-02 2.6880363e-01 9.5238364e-01] [3.7669737e-01 6.0197813e-01 6.1885840e-01] [9.5965243e-01 3.0963278e-01 2.8540070e-01] [2.9282239e-01 6.4294248e-01 9.5208091e-01] [6.2567829e-01 9.7696645e-01 6.1917520e-01]] spacegroup = 1 cell = [[8.3202, 0, 0], [4.1582501872512, 7.2069185946717, 0], [0.011693247130277, -0.00055313212881862, 10.419493423963]] ========================================= Step Time Energy fmax BFGS: 0 13:57:13 -335.160276 15.9218 BFGS: 1 13:57:13 -359.457042 15.6189 BFGS: 2 13:57:13 -383.188809 11.6256 BFGS: 3 13:57:13 -400.881688 9.8386 BFGS: 4 13:57:13 -414.485492 10.5822 BFGS: 5 13:57:13 -425.834737 7.5432 BFGS: 6 13:57:14 -432.852122 6.2299 BFGS: 7 13:57:14 -438.062076 5.8206 BFGS: 8 13:57:14 -442.295223 6.7442 BFGS: 9 13:57:14 -446.082769 7.5214 BFGS: 10 13:57:14 -449.705528 8.2308 BFGS: 11 13:57:14 -453.633007 9.0519 BFGS: 12 13:57:14 -456.912068 9.5532 BFGS: 13 13:57:14 -460.255634 10.0145 BFGS: 14 13:57:14 -463.745368 10.4619 BFGS: 15 13:57:14 -467.509863 10.9274 BFGS: 16 13:57:14 -471.546460 11.3992 BFGS: 17 13:57:14 -475.976293 11.8992 BFGS: 18 13:57:14 -480.516375 12.4576 BFGS: 19 13:57:14 -485.367100 12.8747 BFGS: 20 13:57:14 -490.960397 13.3582 BFGS: 21 13:57:14 -497.313603 13.8601 BFGS: 22 13:57:14 -504.579690 14.3625 BFGS: 23 13:57:14 -512.937246 14.8521 BFGS: 24 13:57:14 -522.560737 15.3040 BFGS: 25 13:57:14 -533.498105 15.6943 BFGS: 26 13:57:14 -545.344315 16.0018 BFGS: 27 13:57:14 -555.054474 16.2190 BFGS: 28 13:57:15 -563.641230 16.4239 BFGS: 29 13:57:15 -570.253662 16.5261 BFGS: 30 13:57:15 -575.055628 16.5777 BFGS: 31 13:57:15 -578.287306 16.6026 BFGS: 32 13:57:15 -580.630154 16.6066 BFGS: 33 13:57:15 -582.644934 16.5935 BFGS: 34 13:57:15 -584.523276 16.5666 BFGS: 35 13:57:15 -586.293278 16.5267 BFGS: 36 13:57:15 -587.983961 16.4699 BFGS: 37 13:57:15 -589.619824 16.4096 BFGS: 38 13:57:15 -591.205744 16.3407 BFGS: 39 13:57:16 -592.752450 16.2647 BFGS: 40 13:57:16 -594.273074 16.1889 BFGS: 41 13:57:16 -595.768909 16.1114 BFGS: 42 13:57:16 -597.244678 16.0321 BFGS: 43 13:57:16 -598.708342 15.9537 BFGS: 44 13:57:17 -600.158081 15.8750 BFGS: 45 13:57:17 -601.596151 15.7942 BFGS: 46 13:57:17 -603.027149 15.7151 BFGS: 47 13:57:17 -604.449018 15.6355 BFGS: 48 13:57:17 -605.863260 15.5551 BFGS: 49 13:57:17 -607.274102 15.4748 BFGS: 50 13:57:18 -608.678884 15.3941 BFGS: 51 13:57:18 -610.079625 15.3124 BFGS: 52 13:57:18 -611.479142 15.2306 BFGS: 53 13:57:18 -612.876120 15.1478 BFGS: 54 13:57:18 -614.273420 15.0620 BFGS: 55 13:57:18 -615.670920 14.9728 BFGS: 56 13:57:18 -617.070793 14.8810 BFGS: 57 13:57:19 -618.474518 14.7843 BFGS: 58 13:57:19 -619.881154 14.6829 BFGS: 59 13:57:19 -621.289242 14.5776 BFGS: 60 13:57:19 -622.696313 14.4668 BFGS: 61 13:57:19 -624.101720 14.3525 BFGS: 62 13:57:19 -625.505176 14.2353 BFGS: 63 13:57:19 -626.905547 14.1149 BFGS: 64 13:57:19 -628.303838 13.9915 BFGS: 65 13:57:19 -629.699304 13.8657 BFGS: 66 13:57:20 -631.092645 13.7394 BFGS: 67 13:57:20 -632.485438 13.6100 BFGS: 68 13:57:20 -633.877984 13.4774 BFGS: 69 13:57:20 -635.272006 13.3437 BFGS: 70 13:57:20 -636.669020 13.2077 BFGS: 71 13:57:20 -638.068870 13.0677 BFGS: 72 13:57:20 -639.470838 12.9261 BFGS: 73 13:57:20 -640.875488 12.7801 BFGS: 74 13:57:20 -642.282338 12.6322 BFGS: 75 13:57:20 -643.692148 12.4857 BFGS: 76 13:57:20 -645.104466 12.3350 BFGS: 77 13:57:20 -646.519916 12.1855 BFGS: 78 13:57:20 -647.936712 12.0319 BFGS: 79 13:57:20 -649.355310 11.8757 BFGS: 80 13:57:20 -650.775678 11.7191 BFGS: 81 13:57:20 -652.197545 11.5626 BFGS: 82 13:57:20 -653.620876 11.4081 BFGS: 83 13:57:20 -655.046831 11.2598 BFGS: 84 13:57:20 -656.476165 11.1170 BFGS: 85 13:57:20 -657.906913 10.9713 BFGS: 86 13:57:20 -659.341603 10.8310 BFGS: 87 13:57:20 -660.778301 10.6848 BFGS: 88 13:57:20 -662.217349 10.5374 BFGS: 89 13:57:20 -663.660705 10.3912 BFGS: 90 13:57:20 -665.105975 10.2423 BFGS: 91 13:57:21 -666.554551 10.0943 BFGS: 92 13:57:21 -668.006237 9.9466 BFGS: 93 13:57:21 -669.459835 9.7977 BFGS: 94 13:57:21 -670.916852 9.6502 BFGS: 95 13:57:21 -672.376436 9.5059 BFGS: 96 13:57:21 -673.838519 9.3645 BFGS: 97 13:57:21 -675.302305 9.2241 BFGS: 98 13:57:21 -676.769512 9.0914 BFGS: 99 13:57:21 -678.238353 8.9559 BFGS: 100 13:57:21 -679.711416 8.8252 BFGS: 101 13:57:21 -681.186528 8.7155 BFGS: 102 13:57:21 -682.662155 8.7921 BFGS: 103 13:57:21 -684.141946 8.8401 BFGS: 104 13:57:21 -685.623076 8.9415 BFGS: 105 13:57:21 -687.104736 8.9713 BFGS: 106 13:57:21 -688.592832 9.1240 BFGS: 107 13:57:21 -690.082162 9.4164 BFGS: 108 13:57:21 -691.574254 9.8433 BFGS: 109 13:57:21 -693.075115 10.2726 BFGS: 110 13:57:21 -694.578653 10.5651 BFGS: 111 13:57:21 -696.085240 11.0756 BFGS: 112 13:57:21 -697.600665 11.2916 BFGS: 113 13:57:22 -699.115509 11.6211 BFGS: 114 13:57:22 -700.631496 11.9140 BFGS: 115 13:57:22 -702.153070 11.9373 BFGS: 116 13:57:22 -703.670242 12.0359 BFGS: 117 13:57:22 -705.188475 11.9719 BFGS: 118 13:57:22 -706.706651 11.7774 BFGS: 119 13:57:22 -708.219574 11.5305 BFGS: 120 13:57:22 -709.729377 11.2965 BFGS: 121 13:57:22 -711.236450 10.7954 BFGS: 122 13:57:22 -712.734339 10.4498 BFGS: 123 13:57:22 -714.229226 10.0310 BFGS: 124 13:57:22 -715.716541 9.5014 BFGS: 125 13:57:22 -717.196398 9.1362 BFGS: 126 13:57:22 -718.675039 8.6890 BFGS: 127 13:57:22 -720.143194 8.1749 BFGS: 128 13:57:22 -721.611027 7.9158 BFGS: 129 13:57:22 -723.074225 7.9190 BFGS: 130 13:57:22 -724.531090 7.9116 BFGS: 131 13:57:22 -725.988824 7.9151 BFGS: 132 13:57:22 -727.443548 7.9038 BFGS: 133 13:57:22 -728.894276 7.8895 BFGS: 134 13:57:22 -730.348315 7.8823 BFGS: 135 13:57:22 -731.800190 7.8593 BFGS: 136 13:57:22 -733.258751 7.8502 BFGS: 137 13:57:23 -734.716036 7.8094 BFGS: 138 13:57:23 -736.179258 7.8025 BFGS: 139 13:57:23 -737.644658 7.7725 BFGS: 140 13:57:23 -739.114076 7.7426 BFGS: 141 13:57:23 -740.592968 7.7226 BFGS: 142 13:57:23 -742.056946 7.6977 BFGS: 143 13:57:23 -743.483093 7.6657 BFGS: 144 13:57:23 -744.882633 7.6518 BFGS: 145 13:57:23 -746.250126 7.6374 BFGS: 146 13:57:23 -747.592667 7.6618 BFGS: 147 13:57:23 -748.918721 7.7336 BFGS: 148 13:57:23 -750.234771 7.7987 BFGS: 149 13:57:23 -751.534340 7.8672 BFGS: 150 13:57:23 -752.835295 7.9407 BFGS: 151 13:57:23 -754.127616 8.0113 BFGS: 152 13:57:23 -755.418474 8.5507 BFGS: 153 13:57:24 -756.707056 9.4056 BFGS: 154 13:57:24 -757.994579 10.2395 BFGS: 155 13:57:24 -759.280853 11.0895 BFGS: 156 13:57:24 -760.565246 11.9375 BFGS: 157 13:57:24 -761.846771 12.7929 BFGS: 158 13:57:24 -763.125098 13.6299 BFGS: 159 13:57:24 -764.399406 14.4959 BFGS: 160 13:57:24 -765.669987 15.3022 BFGS: 161 13:57:24 -766.936814 16.1556 BFGS: 162 13:57:24 -768.199604 16.9367 BFGS: 163 13:57:24 -769.458130 17.7416 BFGS: 164 13:57:24 -770.712938 18.4799 BFGS: 165 13:57:24 -771.962581 19.2238 BFGS: 166 13:57:24 -773.207708 19.8687 BFGS: 167 13:57:24 -774.447268 20.5782 BFGS: 168 13:57:25 -775.681335 21.0350 BFGS: 169 13:57:25 -776.909741 21.7415 BFGS: 170 13:57:25 -778.132825 22.0440 BFGS: 171 13:57:25 -779.351477 22.6078 BFGS: 172 13:57:25 -780.566813 22.8718 BFGS: 173 13:57:25 -781.779957 23.2458 BFGS: 174 13:57:25 -782.992106 23.4343 BFGS: 175 13:57:25 -784.203112 23.6435 BFGS: 176 13:57:25 -785.414081 23.7089 BFGS: 177 13:57:25 -786.623937 23.7327 BFGS: 178 13:57:25 -787.832835 23.6318 BFGS: 179 13:57:26 -789.039022 23.4398 BFGS: 180 13:57:26 -790.243336 23.1460 BFGS: 181 13:57:26 -791.444752 22.7307 BFGS: 182 13:57:26 -792.644260 22.2330 BFGS: 183 13:57:26 -793.841345 21.6104 BFGS: 184 13:57:26 -795.036583 20.9097 BFGS: 185 13:57:26 -796.230097 20.1000 BFGS: 186 13:57:26 -797.422113 20.4024 BFGS: 187 13:57:26 -798.612126 20.6151 BFGS: 188 13:57:26 -799.799919 20.9267 BFGS: 189 13:57:27 -800.983418 21.0835 BFGS: 190 13:57:27 -802.161642 21.4298 BFGS: 191 13:57:27 -803.331904 21.5026 BFGS: 192 13:57:27 -804.491689 22.0107 BFGS: 193 13:57:27 -805.642688 23.6018 BFGS: 194 13:57:27 -806.783771 25.2717 BFGS: 195 13:57:27 -807.922888 26.8967 BFGS: 196 13:57:27 -809.062305 28.5465 BFGS: 197 13:57:27 -810.204049 30.1832 BFGS: 198 13:57:27 -811.348900 31.9226 BFGS: 199 13:57:27 -812.494722 33.4710 BFGS: 200 13:57:27 -813.641060 35.4303 BFGS: 201 13:57:28 -814.784926 36.6807 BFGS: 202 13:57:28 -815.923500 38.7979 BFGS: 203 13:57:28 -817.055324 39.9151 BFGS: 204 13:57:28 -818.179277 41.7069 BFGS: 205 13:57:28 -819.291988 43.1332 BFGS: 206 13:57:28 -820.397505 44.2361 BFGS: 207 13:57:28 -821.490845 45.8106 BFGS: 208 13:57:28 -822.576353 46.6842 BFGS: 209 13:57:28 -823.654223 47.8354 BFGS: 210 13:57:28 -824.726298 48.9554 BFGS: 211 13:57:28 -825.797775 49.5139 BFGS: 212 13:57:28 -826.867497 50.5887 BFGS: 213 13:57:28 -827.937637 51.2463 BFGS: 214 13:57:28 -829.007309 52.0285 BFGS: 215 13:57:29 -830.076972 52.6232 BFGS: 216 13:57:29 -831.143900 53.2556 BFGS: 217 13:57:29 -832.208323 53.6577 BFGS: 218 13:57:29 -833.268790 54.2022 BFGS: 219 13:57:29 -834.325203 54.3501 BFGS: 220 13:57:29 -835.378625 54.7120 BFGS: 221 13:57:29 -836.431076 54.8618 BFGS: 222 13:57:29 -837.482103 54.9647 BFGS: 223 13:57:29 -838.535675 55.0414 BFGS: 224 13:57:29 -839.588643 55.0556 BFGS: 225 13:57:29 -840.643173 55.0046 BFGS: 226 13:57:29 -841.697143 54.9624 BFGS: 227 13:57:29 -842.750936 54.8269 BFGS: 228 13:57:29 -843.802841 54.7156 BFGS: 229 13:57:29 -844.853086 54.5336 BFGS: 230 13:57:30 -845.899854 54.3180 BFGS: 231 13:57:30 -846.942546 54.1425 BFGS: 232 13:57:30 -847.981346 53.8854 BFGS: 233 13:57:30 -849.014504 53.5421 BFGS: 234 13:57:30 -850.045861 53.4209 BFGS: 235 13:57:30 -851.074163 53.0420 BFGS: 236 13:57:30 -852.102272 52.6828 BFGS: 237 13:57:30 -853.131807 52.4602 BFGS: 238 13:57:30 -854.162091 52.0532 BFGS: 239 13:57:30 -855.193616 51.7192 BFGS: 240 13:57:30 -856.225005 51.3739 BFGS: 241 13:57:30 -857.256700 50.9342 BFGS: 242 13:57:30 -858.287091 50.5357 BFGS: 243 13:57:30 -859.317768 50.1438 BFGS: 244 13:57:30 -860.347090 49.6552 BFGS: 245 13:57:30 -861.378238 49.1625 BFGS: 246 13:57:30 -862.407688 48.7465 BFGS: 247 13:57:31 -863.439170 48.1831 BFGS: 248 13:57:31 -864.470716 47.6733 BFGS: 249 13:57:31 -865.502410 47.1423 BFGS: 250 13:57:31 -866.534412 46.5855 BFGS: 251 13:57:31 -867.565464 46.0159 BFGS: 252 13:57:31 -868.594681 45.4789 BFGS: 253 13:57:31 -869.622964 44.8964 BFGS: 254 13:57:31 -870.647655 44.3720 BFGS: 255 13:57:31 -871.669931 43.7875 BFGS: 256 13:57:31 -872.690054 44.2314 BFGS: 257 13:57:31 -873.707434 44.5718 BFGS: 258 13:57:31 -874.723914 45.1620 BFGS: 259 13:57:31 -875.739764 46.6911 BFGS: 260 13:57:31 -876.754969 48.2561 BFGS: 261 13:57:31 -877.770701 50.0705 BFGS: 262 13:57:31 -878.787228 51.6835 BFGS: 263 13:57:31 -879.803236 53.4134 BFGS: 264 13:57:31 -880.819243 55.1960 BFGS: 265 13:57:32 -881.832484 56.6693 BFGS: 266 13:57:32 -882.845543 58.7470 BFGS: 267 13:57:32 -883.855555 60.0299 BFGS: 268 13:57:32 -884.863501 61.9959 BFGS: 269 13:57:32 -885.871488 63.5906 BFGS: 270 13:57:32 -886.875004 65.2339 BFGS: 271 13:57:32 -887.879143 66.9360 BFGS: 272 13:57:32 -888.881149 68.5608 BFGS: 273 13:57:32 -889.881795 70.2631 BFGS: 274 13:57:32 -890.882972 71.7057 BFGS: 275 13:57:32 -891.884923 73.4404 BFGS: 276 13:57:32 -892.887316 74.9332 BFGS: 277 13:57:32 -893.890759 76.3905 BFGS: 278 13:57:32 -894.894079 77.9466 BFGS: 279 13:57:32 -895.897625 79.3212 BFGS: 280 13:57:32 -896.900543 80.6377 BFGS: 281 13:57:32 -897.902444 82.1996 BFGS: 282 13:57:33 -898.903809 83.2930 BFGS: 283 13:57:33 -899.904241 84.5656 BFGS: 284 13:57:33 -900.903869 85.9556 BFGS: 285 13:57:33 -901.903838 86.7174 BFGS: 286 13:57:33 -902.903289 88.0685 BFGS: 287 13:57:33 -903.903682 88.9050 BFGS: 288 13:57:33 -904.904549 89.8614 BFGS: 289 13:57:33 -905.905452 90.6491 BFGS: 290 13:57:33 -906.906873 91.3573 BFGS: 291 13:57:33 -907.908462 92.0370 BFGS: 292 13:57:33 -908.909927 92.4937 BFGS: 293 13:57:33 -909.911550 93.0361 BFGS: 294 13:57:33 -910.912583 93.3493 BFGS: 295 13:57:33 -911.914064 93.6057 BFGS: 296 13:57:33 -912.914551 93.8485 BFGS: 297 13:57:33 -913.915091 93.8003 BFGS: 298 13:57:34 -914.914475 94.0269 BFGS: 299 13:57:34 -915.910116 95.5004 BFGS: 300 13:57:34 -916.903881 96.7838 BFGS: 301 13:57:34 -917.890470 98.6367 BFGS: 302 13:57:34 -918.872799 99.7645 BFGS: 303 13:57:34 -919.850960 101.4118 BFGS: 304 13:57:34 -920.826639 102.7764 BFGS: 305 13:57:34 -921.800728 104.0566 BFGS: 306 13:57:34 -922.776356 105.4600 BFGS: 307 13:57:34 -923.752479 106.6274 BFGS: 308 13:57:34 -924.728832 107.9109 BFGS: 309 13:57:34 -925.706631 109.0093 BFGS: 310 13:57:34 -926.685133 110.1610 BFGS: 311 13:57:34 -927.664033 111.1902 BFGS: 312 13:57:34 -928.646760 112.1368 BFGS: 313 13:57:34 -929.628546 113.0837 BFGS: 314 13:57:35 -930.613460 113.8667 BFGS: 315 13:57:35 -931.600576 114.4678 BFGS: 316 13:57:35 -932.587629 115.1840 BFGS: 317 13:57:35 -933.576281 115.4730 BFGS: 318 13:57:35 -934.563172 115.9325 BFGS: 319 13:57:35 -935.548778 116.2219 BFGS: 320 13:57:35 -936.531340 116.2668 BFGS: 321 13:57:35 -937.510630 116.1222 BFGS: 322 13:57:35 -938.487029 116.7366 BFGS: 323 13:57:35 -939.459648 115.8388 BFGS: 324 13:57:35 -940.432398 115.9919 BFGS: 325 13:57:35 -941.402946 115.9247 BFGS: 326 13:57:35 -942.374958 115.1262 BFGS: 327 13:57:35 -943.350458 114.9756 BFGS: 328 13:57:36 -944.327594 114.5444 BFGS: 329 13:57:36 -945.308343 114.0043 BFGS: 330 13:57:36 -946.292744 113.4924 BFGS: 331 13:57:36 -947.281922 113.1336 BFGS: 332 13:57:36 -948.273691 112.6175 BFGS: 333 13:57:36 -949.270329 112.1469 BFGS: 334 13:57:36 -950.269767 111.7051 BFGS: 335 13:57:36 -951.270714 111.4785 BFGS: 336 13:57:36 -952.271307 110.7906 BFGS: 337 13:57:36 -953.275848 110.4079 BFGS: 338 13:57:36 -954.278330 110.1907 BFGS: 339 13:57:36 -955.286103 109.4697 BFGS: 340 13:57:36 -956.295328 109.1541 BFGS: 341 13:57:36 -957.307754 108.6622 BFGS: 342 13:57:36 -958.322656 108.3322 BFGS: 343 13:57:37 -959.343752 107.3726 BFGS: 344 13:57:37 -960.373025 107.1865 BFGS: 345 13:57:37 -961.404695 106.3925 BFGS: 346 13:57:37 -962.447283 105.5811 BFGS: 347 13:57:37 -963.494655 105.1451 BFGS: 348 13:57:37 -964.544989 104.0924 BFGS: 349 13:57:37 -965.601604 103.4931 BFGS: 350 13:57:37 -966.659793 105.5578 BFGS: 351 13:57:37 -967.720161 107.9252 BFGS: 352 13:57:37 -968.784210 110.0322 BFGS: 353 13:57:37 -969.850583 112.5799 BFGS: 354 13:57:37 -970.918802 114.6255 BFGS: 355 13:57:37 -971.992315 116.9473 BFGS: 356 13:57:37 -973.069664 119.0272 BFGS: 357 13:57:38 -974.152887 121.2013 BFGS: 358 13:57:38 -975.240745 123.2193 BFGS: 359 13:57:38 -976.333979 125.2500 BFGS: 360 13:57:38 -977.428253 127.3339 BFGS: 361 13:57:38 -978.527035 128.9449 BFGS: 362 13:57:38 -979.627633 131.1966 BFGS: 363 13:57:38 -980.727928 132.5985 BFGS: 364 13:57:38 -981.834770 134.4144 BFGS: 365 13:57:38 -982.941632 136.3088 BFGS: 366 13:57:38 -984.052641 137.2818 BFGS: 367 13:57:38 -985.169259 138.9670 BFGS: 368 13:57:38 -986.293821 140.3609 BFGS: 369 13:57:38 -987.422580 141.1667 BFGS: 370 13:57:39 -988.562269 142.6921 BFGS: 371 13:57:39 -989.704614 143.3266 BFGS: 372 13:57:39 -990.851453 144.2545 BFGS: 373 13:57:39 -992.003051 145.2267 BFGS: 374 13:57:39 -993.149861 145.6727 BFGS: 375 13:57:39 -994.303564 146.2088 BFGS: 376 13:57:39 -995.453911 146.8509 BFGS: 377 13:57:39 -996.610921 147.2985 BFGS: 378 13:57:39 -997.772792 147.5230 BFGS: 379 13:57:39 -998.945378 147.7565 BFGS: 380 13:57:39 -1000.127268 148.3607 BFGS: 381 13:57:39 -1001.321971 148.3803 BFGS: 382 13:57:39 -1002.522712 148.5751 BFGS: 383 13:57:40 -1003.729769 148.8727 BFGS: 384 13:57:40 -1004.941401 148.9815 BFGS: 385 13:57:40 -1006.155598 148.6401 BFGS: 386 13:57:40 -1007.371854 149.1708 BFGS: 387 13:57:40 -1008.596547 148.6169 BFGS: 388 13:57:40 -1009.822279 148.5943 BFGS: 389 13:57:40 -1011.057167 148.4258 BFGS: 390 13:57:41 -1012.300017 147.8812 BFGS: 391 13:57:41 -1013.548948 147.6101 BFGS: 392 13:57:41 -1014.821930 147.3464 BFGS: 393 13:57:41 -1016.101562 146.2549 BFGS: 394 13:57:41 -1017.417320 146.2228 BFGS: 395 13:57:41 -1018.746084 145.7307 BFGS: 396 13:57:41 -1020.106777 144.3759 BFGS: 397 13:57:41 -1021.491625 144.3636 BFGS: 398 13:57:41 -1022.907202 143.3857 BFGS: 399 13:57:42 -1024.350750 142.4135 BFGS: 400 13:57:42 -1025.817073 141.7646 BFGS: 401 13:57:42 -1027.307844 140.9268 BFGS: 402 13:57:42 -1028.824979 139.6243 BFGS: 403 13:57:42 -1030.362408 138.7899 BFGS: 404 13:57:42 -1031.917110 137.4808 BFGS: 405 13:57:42 -1033.498081 136.1480 BFGS: 406 13:57:42 -1035.102843 135.0423 BFGS: 407 13:57:42 -1036.707086 132.9468 BFGS: 408 13:57:42 -1038.342847 131.8708 BFGS: 409 13:57:42 -1039.999713 129.8569 BFGS: 410 13:57:42 -1041.664084 128.1006 BFGS: 411 13:57:43 -1043.344872 125.9691 BFGS: 412 13:57:43 -1045.056726 123.9999 BFGS: 413 13:57:43 -1046.767729 121.6304 BFGS: 414 13:57:43 -1048.501618 119.2834 BFGS: 415 13:57:43 -1050.244233 116.4825 BFGS: 416 13:57:43 -1052.008706 115.2557 BFGS: 417 13:57:43 -1053.786929 113.4450 BFGS: 418 13:57:43 -1055.576188 112.0760 BFGS: 419 13:57:43 -1057.404749 111.1338 BFGS: 420 13:57:43 -1059.252882 109.5254 BFGS: 421 13:57:43 -1061.120398 107.9768 BFGS: 422 13:57:44 -1063.014214 106.4065 BFGS: 423 13:57:44 -1064.928326 104.6540 BFGS: 424 13:57:44 -1066.849496 103.2837 BFGS: 425 13:57:44 -1068.790220 101.0789 BFGS: 426 13:57:44 -1070.757587 99.5742 BFGS: 427 13:57:44 -1072.733069 97.8843 BFGS: 428 13:57:44 -1074.732023 95.8115 BFGS: 429 13:57:44 -1076.762717 94.1879 BFGS: 430 13:57:44 -1078.810692 92.3028 BFGS: 431 13:57:44 -1080.904504 90.5333 BFGS: 432 13:57:44 -1083.001914 88.7858 BFGS: 433 13:57:44 -1085.148539 86.7903 BFGS: 434 13:57:45 -1087.324446 85.2364 BFGS: 435 13:57:45 -1089.541764 83.3147 BFGS: 436 13:57:45 -1091.785626 81.3891 BFGS: 437 13:57:45 -1094.082393 79.8060 BFGS: 438 13:57:45 -1096.404447 80.4594 BFGS: 439 13:57:45 -1098.757778 81.8119 BFGS: 440 13:57:45 -1101.171226 82.7693 BFGS: 441 13:57:45 -1103.606451 83.7006 BFGS: 442 13:57:45 -1106.080752 84.5898 BFGS: 443 13:57:45 -1108.579137 85.3692 BFGS: 444 13:57:45 -1111.079318 85.7605 BFGS: 445 13:57:46 -1113.578162 86.5085 BFGS: 446 13:57:46 -1116.096488 86.5775 BFGS: 447 13:57:46 -1118.617505 87.0414 BFGS: 448 13:57:46 -1121.152520 87.1367 BFGS: 449 13:57:46 -1123.709174 87.1904 BFGS: 450 13:57:46 -1126.286138 87.1235 BFGS: 451 13:57:46 -1128.906972 87.3262 BFGS: 452 13:57:46 -1131.564071 86.6530 BFGS: 453 13:57:46 -1134.269412 86.6867 BFGS: 454 13:57:46 -1137.047569 86.3738 BFGS: 455 13:57:46 -1139.882148 86.3119 BFGS: 456 13:57:47 -1142.814828 88.3145 BFGS: 457 13:57:47 -1145.870857 89.4043 BFGS: 458 13:57:47 -1149.050725 90.5912 BFGS: 459 13:57:47 -1152.340666 92.3330 BFGS: 460 13:57:47 -1155.791339 93.2635 BFGS: 461 13:57:47 -1159.343377 93.8081 BFGS: 462 13:57:47 -1163.015721 95.8797 BFGS: 463 13:57:47 -1166.749824 95.5373 BFGS: 464 13:57:47 -1170.600603 97.8123 BFGS: 465 13:57:47 -1174.555161 96.4631 BFGS: 466 13:57:47 -1178.596240 98.5970 BFGS: 467 13:57:48 -1182.760600 97.3558 BFGS: 468 13:57:48 -1187.119842 98.9975 BFGS: 469 13:57:48 -1191.633820 97.6237 BFGS: 470 13:57:48 -1196.395882 98.0451 BFGS: 471 13:57:48 -1201.451389 96.7815 BFGS: 472 13:57:48 -1206.762907 95.7350 BFGS: 473 13:57:48 -1212.452280 94.7800 BFGS: 474 13:57:48 -1218.706986 92.3920 BFGS: 475 13:57:48 -1225.624648 90.9475 BFGS: 476 13:57:48 -1233.194469 87.6230 BFGS: 477 13:57:48 -1241.204217 85.7477 BFGS: 478 13:57:49 -1249.391991 81.8334 BFGS: 479 13:57:49 -1257.912702 80.7090 BFGS: 480 13:57:49 -1266.489035 77.2019 BFGS: 481 13:57:49 -1275.239944 74.3848 BFGS: 482 13:57:49 -1284.155406 72.5644 BFGS: 483 13:57:49 -1293.185411 70.3781 BFGS: 484 13:57:49 -1302.423749 68.6429 BFGS: 485 13:57:49 -1311.776133 66.8360 BFGS: 486 13:57:49 -1321.491370 64.7875 BFGS: 487 13:57:49 -1330.941880 62.8415 BFGS: 488 13:57:49 -1339.771052 61.3783 BFGS: 489 13:57:50 -1347.997191 59.7972 BFGS: 490 13:57:50 -1355.709718 59.4673 BFGS: 491 13:57:50 -1363.084828 57.7374 BFGS: 492 13:57:50 -1370.169456 56.9238 BFGS: 493 13:57:50 -1377.099728 56.0486 BFGS: 494 13:57:50 -1384.052852 55.1690 BFGS: 495 13:57:50 -1391.242276 54.3958 BFGS: 496 13:57:50 -1398.776040 53.1379 BFGS: 497 13:57:50 -1406.979978 52.2423 BFGS: 498 13:57:50 -1415.311105 50.5420 BFGS: 499 13:57:50 -1422.985119 49.1035 BFGS: 500 13:57:51 -1430.203629 47.9597 BFGS: 501 13:57:51 -1437.137089 46.7673 BFGS: 502 13:57:51 -1443.981104 45.0384 BFGS: 503 13:57:51 -1450.547410 43.7123 BFGS: 504 13:57:51 -1457.194020 42.6753 BFGS: 505 13:57:51 -1463.802555 40.7914 BFGS: 506 13:57:51 -1470.367157 39.4589 BFGS: 507 13:57:51 -1476.955440 38.1026 BFGS: 508 13:57:51 -1483.521394 36.1276 BFGS: 509 13:57:51 -1490.050067 35.0225 BFGS: 510 13:57:51 -1496.464155 33.1759 BFGS: 511 13:57:52 -1502.836029 31.8559 BFGS: 512 13:57:52 -1508.987028 30.4023 BFGS: 513 13:57:52 -1514.988597 29.8086 BFGS: 514 13:57:52 -1520.830026 29.7052 BFGS: 515 13:57:52 -1526.440107 29.4138 BFGS: 516 13:57:52 -1531.875112 29.3079 BFGS: 517 13:57:52 -1537.155262 29.1663 BFGS: 518 13:57:52 -1542.234624 28.9689 BFGS: 519 13:57:52 -1547.187550 28.8273 BFGS: 520 13:57:52 -1551.806395 28.4614 BFGS: 521 13:57:52 -1556.049002 28.3170 BFGS: 522 13:57:53 -1559.961551 27.7717 BFGS: 523 13:57:53 -1563.518957 27.5221 BFGS: 524 13:57:53 -1566.801048 26.8907 BFGS: 525 13:57:53 -1569.772267 26.3381 BFGS: 526 13:57:53 -1572.483947 25.7374 BFGS: 527 13:57:53 -1574.948052 24.7805 BFGS: 528 13:57:53 -1577.191264 24.1741 BFGS: 529 13:57:53 -1579.259973 23.0728 BFGS: 530 13:57:53 -1581.176224 22.2776 BFGS: 531 13:57:53 -1582.962028 21.9069 BFGS: 532 13:57:53 -1584.630921 21.8670 BFGS: 533 13:57:54 -1586.206022 21.2032 BFGS: 534 13:57:54 -1587.670702 21.0210 BFGS: 535 13:57:54 -1589.105220 20.5716 BFGS: 536 13:57:54 -1590.479677 20.4809 BFGS: 537 13:57:54 -1591.919168 20.5761 BFGS: 538 13:57:54 -1593.329547 19.8022 BFGS: 539 13:57:54 -1594.793066 19.3550 BFGS: 540 13:57:54 -1596.274689 17.7502 BFGS: 541 13:57:54 -1597.732950 16.5506 BFGS: 542 13:57:54 -1599.241433 15.9731 BFGS: 543 13:57:54 -1600.899844 15.5228 BFGS: 544 13:57:55 -1602.424170 15.0699 BFGS: 545 13:57:55 -1603.656012 14.6527 BFGS: 546 13:57:55 -1604.788133 14.4182 BFGS: 547 13:57:55 -1605.869928 14.2325 BFGS: 548 13:57:55 -1606.952568 13.9004 BFGS: 549 13:57:55 -1608.030286 13.7755 BFGS: 550 13:57:55 -1609.128225 13.3751 BFGS: 551 13:57:55 -1610.246353 13.2417 BFGS: 552 13:57:55 -1611.396322 13.3119 BFGS: 553 13:57:55 -1612.588120 14.1241 BFGS: 554 13:57:55 -1613.708786 15.0042 BFGS: 555 13:57:56 -1614.748672 15.7523 BFGS: 556 13:57:56 -1615.780891 15.9496 BFGS: 557 13:57:56 -1616.787005 15.4686 BFGS: 558 13:57:56 -1617.745126 13.7277 BFGS: 559 13:57:56 -1618.482394 12.0671 BFGS: 560 13:57:56 -1619.083199 11.7758 BFGS: 561 13:57:56 -1619.620396 12.1092 BFGS: 562 13:57:56 -1620.128252 11.3417 BFGS: 563 13:57:56 -1620.607911 11.0579 BFGS: 564 13:57:56 -1621.051703 10.6726 BFGS: 565 13:57:56 -1621.471689 10.8189 BFGS: 566 13:57:57 -1621.849018 11.8106 BFGS: 567 13:57:57 -1622.228451 11.8273 BFGS: 568 13:57:57 -1622.585333 12.5074 BFGS: 569 13:57:57 -1622.971300 12.7822 BFGS: 570 13:57:57 -1623.353179 13.0039 BFGS: 571 13:57:57 -1623.768989 13.3219 BFGS: 572 13:57:57 -1624.182162 13.3716 BFGS: 573 13:57:57 -1624.623284 13.5813 BFGS: 574 13:57:57 -1625.063083 13.5906 BFGS: 575 13:57:57 -1625.525711 13.6930 BFGS: 576 13:57:57 -1625.985066 13.6720 BFGS: 577 13:57:58 -1626.464658 13.6988 BFGS: 578 13:57:58 -1626.937052 13.6412 BFGS: 579 13:57:58 -1627.427149 13.6104 BFGS: 580 13:57:58 -1627.905130 13.5261 BFGS: 581 13:57:58 -1628.391918 13.4537 BFGS: 582 13:57:58 -1628.863658 13.4364 BFGS: 583 13:57:58 -1629.337031 13.4100 BFGS: 584 13:57:58 -1629.793643 13.4493 BFGS: 585 13:57:58 -1630.246752 13.3302 BFGS: 586 13:57:58 -1630.684125 13.2552 BFGS: 587 13:57:59 -1631.114262 13.0475 BFGS: 588 13:57:59 -1631.532848 12.8731 BFGS: 589 13:57:59 -1631.940774 12.6055 BFGS: 590 13:57:59 -1632.342698 12.3605 BFGS: 591 13:57:59 -1632.731745 12.1981 BFGS: 592 13:57:59 -1633.119478 12.2648 BFGS: 593 13:57:59 -1633.496250 12.7968 BFGS: 594 13:57:59 -1633.873698 13.2754 BFGS: 595 13:57:59 -1634.243790 13.7783 BFGS: 596 13:57:59 -1634.618525 14.2096 BFGS: 597 13:57:59 -1634.989491 14.6782 BFGS: 598 13:58:00 -1635.368498 15.0803 BFGS: 599 13:58:00 -1635.746821 15.5018 BFGS: 600 13:58:00 -1636.136859 15.8652 BFGS: 601 13:58:00 -1636.525845 16.2368 BFGS: 602 13:58:00 -1636.931206 16.5624 BFGS: 603 13:58:00 -1637.334148 16.8735 BFGS: 604 13:58:00 -1637.757691 17.1664 BFGS: 605 13:58:00 -1638.178902 17.4299 BFGS: 606 13:58:00 -1638.624362 17.7180 BFGS: 607 13:58:00 -1639.070699 17.9879 BFGS: 608 13:58:00 -1639.545671 18.3074 BFGS: 609 13:58:01 -1640.024335 18.5907 BFGS: 610 13:58:01 -1640.537734 18.9195 BFGS: 611 13:58:01 -1641.070713 19.0708 BFGS: 612 13:58:01 -1641.652664 19.1624 BFGS: 613 13:58:01 -1642.319843 18.8400 BFGS: 614 13:58:01 -1642.969877 18.4782 BFGS: 615 13:58:01 -1643.872553 17.3556 BFGS: 616 13:58:01 -1644.575120 16.8457 BFGS: 617 13:58:01 -1645.587568 15.6572 BFGS: 618 13:58:01 -1646.368494 15.0712 BFGS: 619 13:58:01 -1647.206041 14.1784 BFGS: 620 13:58:01 -1647.999023 13.8918 BFGS: 621 13:58:02 -1648.601542 12.8969 BFGS: 622 13:58:02 -1649.074310 12.7063 BFGS: 623 13:58:02 -1649.467717 11.9538 BFGS: 624 13:58:02 -1649.821454 12.7033 BFGS: 625 13:58:02 -1650.123670 12.9434 BFGS: 626 13:58:02 -1650.408162 13.8762 BFGS: 627 13:58:02 -1650.776649 14.3769 BFGS: 628 13:58:02 -1651.098214 14.3108 BFGS: 629 13:58:02 -1651.406644 13.8479 BFGS: 630 13:58:02 -1651.755033 12.4794 BFGS: 631 13:58:02 -1652.099679 11.6027 BFGS: 632 13:58:03 -1652.425516 10.1111 BFGS: 633 13:58:03 -1652.704257 10.4027 BFGS: 634 13:58:03 -1653.000975 10.6490 BFGS: 635 13:58:03 -1653.279278 11.3730 BFGS: 636 13:58:03 -1653.544813 11.4990 BFGS: 637 13:58:03 -1653.828133 11.1154 BFGS: 638 13:58:03 -1654.124933 11.5466 BFGS: 639 13:58:03 -1654.345903 10.8358 BFGS: 640 13:58:03 -1654.561776 11.3261 BFGS: 641 13:58:03 -1654.778799 11.8357 BFGS: 642 13:58:04 -1654.982127 11.2425 BFGS: 643 13:58:04 -1655.187116 11.2065 BFGS: 644 13:58:04 -1655.365645 10.5611 BFGS: 645 13:58:04 -1655.592279 9.8253 BFGS: 646 13:58:04 -1655.741056 9.2525 BFGS: 647 13:58:04 -1655.918447 9.1139 BFGS: 648 13:58:04 -1656.062919 8.9539 BFGS: 649 13:58:04 -1656.224776 8.8747 BFGS: 650 13:58:04 -1656.370615 8.7098 BFGS: 651 13:58:04 -1656.527083 8.9593 BFGS: 652 13:58:04 -1656.672472 8.9625 BFGS: 653 13:58:05 -1656.824345 8.9619 BFGS: 654 13:58:05 -1656.967600 8.8447 BFGS: 655 13:58:05 -1657.124070 8.6787 BFGS: 656 13:58:05 -1657.269348 8.6118 BFGS: 657 13:58:05 -1657.438688 8.2896 BFGS: 658 13:58:05 -1657.591014 8.2386 BFGS: 659 13:58:05 -1657.781277 8.5535 BFGS: 660 13:58:05 -1657.952459 8.9545 BFGS: 661 13:58:05 -1658.191426 9.3854 BFGS: 662 13:58:05 -1658.382876 9.8616 BFGS: 663 13:58:05 -1658.630139 10.1550 BFGS: 664 13:58:06 -1658.831027 10.3684 BFGS: 665 13:58:06 -1659.048800 10.1851 BFGS: 666 13:58:06 -1659.187031 10.9791 BFGS: 667 13:58:06 -1659.292809 11.4285 BFGS: 668 13:58:06 -1659.442917 10.9951 BFGS: 669 13:58:06 -1659.586084 10.5192 BFGS: 670 13:58:06 -1659.711199 9.9334 BFGS: 671 13:58:06 -1659.844615 9.2229 BFGS: 672 13:58:06 -1659.990911 9.6631 BFGS: 673 13:58:06 -1660.136997 9.9192 BFGS: 674 13:58:06 -1660.297793 10.4865 BFGS: 675 13:58:07 -1660.458370 11.1813 BFGS: 676 13:58:07 -1660.637584 11.4391 BFGS: 677 13:58:07 -1660.837957 11.3822 BFGS: 678 13:58:07 -1661.089742 10.8458 BFGS: 679 13:58:07 -1661.357746 10.8851 BFGS: 680 13:58:07 -1661.645121 10.9397 BFGS: 681 13:58:07 -1661.876123 11.1527 BFGS: 682 13:58:08 -1662.131226 11.0276 BFGS: 683 13:58:08 -1662.349140 11.0384 BFGS: 684 13:58:08 -1662.553378 10.7691 BFGS: 685 13:58:08 -1662.807205 10.8279 BFGS: 686 13:58:08 -1663.076678 10.6362 BFGS: 687 13:58:08 -1663.400977 10.5520 BFGS: 688 13:58:08 -1663.705139 10.3391 BFGS: 689 13:58:08 -1664.015742 10.0074 BFGS: 690 13:58:08 -1664.302459 9.6655 BFGS: 691 13:58:08 -1664.613136 9.2196 BFGS: 692 13:58:09 -1664.871147 8.9125 BFGS: 693 13:58:09 -1665.171317 8.5384 BFGS: 694 13:58:09 -1665.430766 8.4790 BFGS: 695 13:58:09 -1665.708388 8.2042 BFGS: 696 13:58:09 -1665.962566 8.1168 BFGS: 697 13:58:09 -1666.209851 7.8814 BFGS: 698 13:58:09 -1666.426033 7.6546 BFGS: 699 13:58:09 -1666.631140 8.3069 BFGS: 700 13:58:09 -1666.818818 8.9700 BFGS: 701 13:58:09 -1667.008389 9.3344 BFGS: 702 13:58:09 -1667.214336 9.4060 BFGS: 703 13:58:10 -1667.422781 8.9482 BFGS: 704 13:58:10 -1667.656025 9.3128 BFGS: 705 13:58:10 -1667.886112 9.4301 BFGS: 706 13:58:10 -1668.113852 9.6807 BFGS: 707 13:58:10 -1668.368577 9.9959 BFGS: 708 13:58:10 -1668.587986 9.9312 BFGS: 709 13:58:10 -1668.852407 9.6039 BFGS: 710 13:58:10 -1669.083807 9.6765 BFGS: 711 13:58:10 -1669.293244 8.9818 BFGS: 712 13:58:10 -1669.454688 8.4913 BFGS: 713 13:58:10 -1669.602652 7.9671 BFGS: 714 13:58:11 -1669.739366 7.6824 BFGS: 715 13:58:11 -1669.891854 7.7102 BFGS: 716 13:58:11 -1670.069398 7.3751 BFGS: 717 13:58:11 -1670.262958 7.4304 BFGS: 718 13:58:11 -1670.410742 7.1805 BFGS: 719 13:58:11 -1670.559892 6.9518 BFGS: 720 13:58:11 -1670.682462 6.3047 BFGS: 721 13:58:11 -1670.793778 6.4697 BFGS: 722 13:58:11 -1670.906969 6.4292 BFGS: 723 13:58:11 -1671.020597 6.2655 BFGS: 724 13:58:11 -1671.123515 5.7785 BFGS: 725 13:58:12 -1671.219232 5.5148 BFGS: 726 13:58:12 -1671.319434 5.3255 BFGS: 727 13:58:12 -1671.423531 4.8906 BFGS: 728 13:58:12 -1671.534958 4.7187 BFGS: 729 13:58:12 -1671.656261 5.0871 BFGS: 730 13:58:12 -1671.788580 5.4717 BFGS: 731 13:58:12 -1671.919377 5.0187 BFGS: 732 13:58:12 -1672.033788 4.5666 BFGS: 733 13:58:12 -1672.118783 4.4131 BFGS: 734 13:58:12 -1672.175000 4.4541 BFGS: 735 13:58:12 -1672.219179 4.4025 BFGS: 736 13:58:12 -1672.262323 4.2602 BFGS: 737 13:58:13 -1672.306734 4.2002 BFGS: 738 13:58:13 -1672.350198 4.0553 BFGS: 739 13:58:13 -1672.385482 3.9673 BFGS: 740 13:58:13 -1672.414737 3.6552 BFGS: 741 13:58:13 -1672.438808 3.7543 BFGS: 742 13:58:13 -1672.459690 3.7345 BFGS: 743 13:58:13 -1672.479018 3.7346 BFGS: 744 13:58:13 -1672.499378 3.8136 BFGS: 745 13:58:13 -1672.522893 3.9332 BFGS: 746 13:58:13 -1672.548624 3.9209 BFGS: 747 13:58:13 -1672.575788 3.7333 BFGS: 748 13:58:14 -1672.604357 3.5713 BFGS: 749 13:58:14 -1672.636975 3.4732 BFGS: 750 13:58:14 -1672.675508 3.4500 BFGS: 751 13:58:14 -1672.718313 3.3337 BFGS: 752 13:58:14 -1672.761523 3.1431 BFGS: 753 13:58:14 -1672.799994 3.0204 BFGS: 754 13:58:14 -1672.832082 2.8639 BFGS: 755 13:58:14 -1672.856007 2.8993 BFGS: 756 13:58:14 -1672.875104 2.8521 BFGS: 757 13:58:14 -1672.891465 2.8629 BFGS: 758 13:58:14 -1672.905906 2.7457 BFGS: 759 13:58:15 -1672.918042 2.6384 BFGS: 760 13:58:15 -1672.928575 2.4649 BFGS: 761 13:58:15 -1672.938896 2.3065 BFGS: 762 13:58:15 -1672.949388 2.2672 BFGS: 763 13:58:15 -1672.958923 2.2418 BFGS: 764 13:58:15 -1672.967025 2.1944 BFGS: 765 13:58:15 -1672.974240 2.0318 BFGS: 766 13:58:15 -1672.981626 1.8915 BFGS: 767 13:58:15 -1672.988715 1.8190 BFGS: 768 13:58:15 -1672.994713 1.8954 BFGS: 769 13:58:15 -1672.999665 2.0327 BFGS: 770 13:58:16 -1673.004573 2.1557 BFGS: 771 13:58:16 -1673.010007 2.2535 BFGS: 772 13:58:16 -1673.015088 2.2376 BFGS: 773 13:58:16 -1673.019867 2.1226 BFGS: 774 13:58:16 -1673.024325 1.9558 BFGS: 775 13:58:16 -1673.030293 1.7679 BFGS: 776 13:58:16 -1673.037798 1.7053 BFGS: 777 13:58:16 -1673.047400 1.7280 BFGS: 778 13:58:16 -1673.056672 1.7079 BFGS: 779 13:58:16 -1673.064733 1.6541 BFGS: 780 13:58:16 -1673.070901 1.7475 BFGS: 781 13:58:17 -1673.075830 1.7481 BFGS: 782 13:58:17 -1673.080064 1.6909 BFGS: 783 13:58:17 -1673.084086 1.5852 BFGS: 784 13:58:17 -1673.088005 1.5776 BFGS: 785 13:58:17 -1673.091516 1.5764 BFGS: 786 13:58:17 -1673.094412 1.5639 BFGS: 787 13:58:17 -1673.096758 1.5253 BFGS: 788 13:58:17 -1673.099109 1.4936 BFGS: 789 13:58:17 -1673.101744 1.5444 BFGS: 790 13:58:17 -1673.104763 1.5574 BFGS: 791 13:58:17 -1673.107847 1.5010 BFGS: 792 13:58:18 -1673.110757 1.4703 BFGS: 793 13:58:18 -1673.113556 1.4311 BFGS: 794 13:58:18 -1673.116192 1.4648 BFGS: 795 13:58:18 -1673.118760 1.4943 BFGS: 796 13:58:18 -1673.121150 1.5101 BFGS: 797 13:58:18 -1673.123662 1.4891 BFGS: 798 13:58:18 -1673.126444 1.4422 BFGS: 799 13:58:18 -1673.129607 1.3463 BFGS: 800 13:58:18 -1673.132918 1.2510 BFGS: 801 13:58:18 -1673.136072 1.2365 BFGS: 802 13:58:18 -1673.139205 1.2601 BFGS: 803 13:58:18 -1673.142366 1.2747 BFGS: 804 13:58:19 -1673.145926 1.3216 BFGS: 805 13:58:19 -1673.149368 1.3158 BFGS: 806 13:58:19 -1673.152830 1.3816 BFGS: 807 13:58:19 -1673.156113 1.4697 BFGS: 808 13:58:19 -1673.159526 1.5646 BFGS: 809 13:58:19 -1673.162731 1.6333 BFGS: 810 13:58:19 -1673.165560 1.6698 BFGS: 811 13:58:19 -1673.167911 1.6688 BFGS: 812 13:58:19 -1673.170265 1.6512 BFGS: 813 13:58:19 -1673.172901 1.6227 BFGS: 814 13:58:19 -1673.176142 1.5921 BFGS: 815 13:58:20 -1673.179482 1.5697 BFGS: 816 13:58:20 -1673.182348 1.5625 BFGS: 817 13:58:20 -1673.184317 1.5637 BFGS: 818 13:58:20 -1673.185717 1.5624 BFGS: 819 13:58:20 -1673.186886 1.5540 BFGS: 820 13:58:20 -1673.188006 1.5350 BFGS: 821 13:58:20 -1673.189038 1.5093 BFGS: 822 13:58:20 -1673.189939 1.4785 BFGS: 823 13:58:20 -1673.190746 1.4507 BFGS: 824 13:58:20 -1673.191560 1.4252 BFGS: 825 13:58:20 -1673.192460 1.4084 BFGS: 826 13:58:21 -1673.193422 1.3934 BFGS: 827 13:58:21 -1673.194456 1.3750 BFGS: 828 13:58:21 -1673.195650 1.3545 BFGS: 829 13:58:21 -1673.197213 1.3238 BFGS: 830 13:58:21 -1673.199379 1.2758 BFGS: 831 13:58:21 -1673.202279 1.2335 BFGS: 832 13:58:21 -1673.205804 1.0984 BFGS: 833 13:58:22 -1673.209802 1.0169 BFGS: 834 13:58:22 -1673.214290 0.9503 BFGS: 835 13:58:22 -1673.219256 0.9130 BFGS: 836 13:58:22 -1673.224301 0.9027 BFGS: 837 13:58:22 -1673.228585 0.9093 BFGS: 838 13:58:22 -1673.231776 0.8972 BFGS: 839 13:58:22 -1673.234110 0.9329 BFGS: 840 13:58:22 -1673.236027 0.9237 BFGS: 841 13:58:22 -1673.237721 0.8800 BFGS: 842 13:58:22 -1673.239296 0.8171 BFGS: 843 13:58:23 -1673.240771 0.7656 BFGS: 844 13:58:23 -1673.242168 0.7879 BFGS: 845 13:58:23 -1673.243433 0.7973 BFGS: 846 13:58:23 -1673.244538 0.7902 BFGS: 847 13:58:23 -1673.245527 0.7774 BFGS: 848 13:58:23 -1673.246491 0.7587 BFGS: 849 13:58:23 -1673.247529 0.7397 BFGS: 850 13:58:23 -1673.248644 0.7171 BFGS: 851 13:58:23 -1673.249810 0.6977 BFGS: 852 13:58:23 -1673.250911 0.6861 BFGS: 853 13:58:23 -1673.251860 0.6809 BFGS: 854 13:58:24 -1673.252620 0.6826 BFGS: 855 13:58:24 -1673.253233 0.6796 BFGS: 856 13:58:24 -1673.253741 0.6718 BFGS: 857 13:58:24 -1673.254128 0.6567 BFGS: 858 13:58:24 -1673.254406 0.6478 BFGS: 859 13:58:24 -1673.254593 0.6471 BFGS: 860 13:58:24 -1673.254722 0.6583 BFGS: 861 13:58:24 -1673.254825 0.6753 BFGS: 862 13:58:24 -1673.254924 0.6947 BFGS: 863 13:58:24 -1673.255058 0.7161 BFGS: 864 13:58:24 -1673.255271 0.7377 BFGS: 865 13:58:25 -1673.255628 0.7537 BFGS: 866 13:58:25 -1673.256147 0.7526 BFGS: 867 13:58:25 -1673.256789 0.7244 BFGS: 868 13:58:25 -1673.257473 0.6764 BFGS: 869 13:58:25 -1673.258199 0.6185 BFGS: 870 13:58:25 -1673.259028 0.5651 BFGS: 871 13:58:25 -1673.260064 0.5167 BFGS: 872 13:58:25 -1673.261323 0.4788 BFGS: 873 13:58:25 -1673.262796 0.4447 BFGS: 874 13:58:25 -1673.264407 0.4037 BFGS: 875 13:58:25 -1673.266034 0.3390 BFGS: 876 13:58:26 -1673.267476 0.3209 BFGS: 877 13:58:26 -1673.268584 0.2990 BFGS: 878 13:58:26 -1673.269489 0.2597 BFGS: 879 13:58:26 -1673.270247 0.2663 BFGS: 880 13:58:26 -1673.270897 0.2649 BFGS: 881 13:58:26 -1673.271362 0.2396 BFGS: 882 13:58:26 -1673.271668 0.2106 BFGS: 883 13:58:26 -1673.271880 0.2102 BFGS: 884 13:58:26 -1673.272031 0.2022 BFGS: 885 13:58:26 -1673.272135 0.1862 BFGS: 886 13:58:27 -1673.272206 0.1684 BFGS: 887 13:58:27 -1673.272265 0.1523 BFGS: 888 13:58:27 -1673.272302 0.1415 BFGS: 889 13:58:27 -1673.272327 0.1387 BFGS: 890 13:58:27 -1673.272338 0.1386 BFGS: 891 13:58:27 -1673.272345 0.1392 BFGS: 892 13:58:27 -1673.272350 0.1372 BFGS: 893 13:58:27 -1673.272355 0.1342 BFGS: 894 13:58:27 -1673.272360 0.1295 BFGS: 895 13:58:27 -1673.272365 0.1244 BFGS: 896 13:58:27 -1673.272372 0.1194 BFGS: 897 13:58:28 -1673.272380 0.1161 BFGS: 898 13:58:28 -1673.272390 0.1145 BFGS: 899 13:58:28 -1673.272402 0.1188 BFGS: 900 13:58:28 -1673.272419 0.1232 BFGS: 901 13:58:28 -1673.272440 0.1241 BFGS: 902 13:58:28 -1673.272469 0.1299 BFGS: 903 13:58:28 -1673.272510 0.1370 BFGS: 904 13:58:28 -1673.272572 0.1382 BFGS: 905 13:58:28 -1673.272655 0.1259 BFGS: 906 13:58:28 -1673.272754 0.0986 BFGS: 907 13:58:28 -1673.272842 0.0685 BFGS: 908 13:58:29 -1673.272905 0.0539 BFGS: 909 13:58:29 -1673.272946 0.0493 BFGS: 910 13:58:29 -1673.272978 0.0436 BFGS: 911 13:58:29 -1673.272997 0.0393 BFGS: 912 13:58:29 -1673.273010 0.0328 BFGS: 913 13:58:29 -1673.273019 0.0286 BFGS: 914 13:58:29 -1673.273027 0.0249 BFGS: 915 13:58:29 -1673.273035 0.0209 BFGS: 916 13:58:29 -1673.273042 0.0190 BFGS: 917 13:58:29 -1673.273049 0.0187 BFGS: 918 13:58:29 -1673.273055 0.0196 BFGS: 919 13:58:30 -1673.273061 0.0171 BFGS: 920 13:58:30 -1673.273066 0.0180 BFGS: 921 13:58:30 -1673.273071 0.0149 BFGS: 922 13:58:30 -1673.273074 0.0095 BFGS: 923 13:58:30 -1673.273076 0.0072 BFGS: 924 13:58:30 -1673.273077 0.0056 BFGS: 925 13:58:30 -1673.273078 0.0045 BFGS: 926 13:58:30 -1673.273078 0.0034 BFGS: 927 13:58:30 -1673.273078 0.0024 BFGS: 928 13:58:30 -1673.273078 0.0021 BFGS: 929 13:58:30 -1673.273078 0.0015 BFGS: 930 13:58:30 -1673.273078 0.0011 BFGS: 931 13:58:31 -1673.273078 0.0009 BFGS: 932 13:58:31 -1673.273078 0.0008 BFGS: 933 13:58:31 -1673.273078 0.0008 BFGS: 934 13:58:31 -1673.273078 0.0008 BFGS: 935 13:58:31 -1673.273078 0.0008 BFGS: 936 13:58:31 -1673.273078 0.0007 BFGS: 937 13:58:31 -1673.273078 0.0007 BFGS: 938 13:58:31 -1673.273078 0.0007 BFGS: 939 13:58:31 -1673.273078 0.0007 BFGS: 940 13:58:31 -1673.273078 0.0007 BFGS: 941 13:58:31 -1673.273078 0.0007 BFGS: 942 13:58:32 -1673.273078 0.0007 BFGS: 943 13:58:32 -1673.273078 0.0007 BFGS: 944 13:58:32 -1673.273078 0.0007 BFGS: 945 13:58:32 -1673.273078 0.0008 BFGS: 946 13:58:32 -1673.273078 0.0008 BFGS: 947 13:58:32 -1673.273078 0.0007 BFGS: 948 13:58:32 -1673.273078 0.0008 BFGS: 949 13:58:32 -1673.273079 0.0008 BFGS: 950 13:58:32 -1673.273079 0.0007 BFGS: 951 13:58:32 -1673.273079 0.0005 BFGS: 952 13:58:32 -1673.273079 0.0004 BFGS: 953 13:58:33 -1673.273079 0.0002 BFGS: 954 13:58:33 -1673.273079 0.0001 BFGS: 955 13:58:33 -1673.273079 0.0001 BFGS: 956 13:58:33 -1673.273079 0.0001 BFGS: 957 13:58:33 -1673.273079 0.0000 BFGS: 958 13:58:33 -1673.273079 0.0000 BFGS: 959 13:58:33 -1673.273079 0.0000 BFGS: 960 13:58:33 -1673.273079 0.0000 BFGS: 961 13:58:33 -1673.273079 0.0000 BFGS: 962 13:58:33 -1673.273079 0.0000 BFGS: 963 13:58:33 -1673.273079 0.0000 BFGS: 964 13:58:34 -1673.273079 0.0000 BFGS: 965 13:58:34 -1673.273079 0.0000 BFGS: 966 13:58:34 -1673.273079 0.0000 BFGS: 967 13:58:34 -1673.273079 0.0000 BFGS: 968 13:58:34 -1673.273079 0.0000 BFGS: 969 13:58:34 -1673.273079 0.0000 BFGS: 970 13:58:34 -1673.273079 0.0000 BFGS: 971 13:58:34 -1673.273079 0.0000 BFGS: 972 13:58:34 -1673.273079 0.0000 BFGS: 973 13:58:34 -1673.273079 0.0000 BFGS: 974 13:58:34 -1673.273079 0.0000 BFGS: 975 13:58:35 -1673.273079 0.0000 BFGS: 976 13:58:35 -1673.273079 0.0000 BFGS: 977 13:58:35 -1673.273079 0.0000 BFGS: 978 13:58:35 -1673.273079 0.0000 BFGS: 979 13:58:35 -1673.273079 0.0000 BFGS: 980 13:58:35 -1673.273079 0.0000 BFGS: 981 13:58:35 -1673.273079 0.0000 BFGS: 982 13:58:35 -1673.273079 0.0000 BFGS: 983 13:58:35 -1673.273079 0.0000 BFGS: 984 13:58:35 -1673.273079 0.0000 BFGS: 985 13:58:35 -1673.273079 0.0000 BFGS: 986 13:58:35 -1673.273079 0.0000 BFGS: 987 13:58:36 -1673.273079 0.0000 BFGS: 988 13:58:36 -1673.273079 0.0000 BFGS: 989 13:58:36 -1673.273079 0.0000 BFGS: 990 13:58:36 -1673.273079 0.0000 BFGS: 991 13:58:36 -1673.273079 0.0000 BFGS: 992 13:58:36 -1673.273079 0.0000 BFGS: 993 13:58:36 -1673.273079 0.0000 BFGS: 994 13:58:36 -1673.273079 0.0000 BFGS: 995 13:58:36 -1673.273079 0.0000 BFGS: 996 13:58:36 -1673.273079 0.0000 BFGS: 997 13:58:36 -1673.273079 0.0000 BFGS: 998 13:58:37 -1673.273079 0.0000 BFGS: 999 13:58:37 -1673.273079 0.0000 BFGS: 1000 13:58:37 -1673.273079 0.0000 BFGS: 1001 13:58:37 -1673.273079 0.0000 BFGS: 1002 13:58:37 -1673.273079 0.0000 BFGS: 1003 13:58:37 -1673.273079 0.0000 BFGS: 1004 13:58:37 -1673.273079 0.0000 BFGS: 1005 13:58:37 -1673.273079 0.0000 BFGS: 1006 13:58:37 -1673.273079 0.0000 BFGS: 1007 13:58:37 -1673.273079 0.0000 BFGS: 1008 13:58:37 -1673.273079 0.0000 BFGS: 1009 13:58:38 -1673.273079 0.0000 BFGS: 1010 13:58:38 -1673.273079 0.0000 BFGS: 1011 13:58:38 -1673.273079 0.0000 BFGS: 1012 13:58:38 -1673.273079 0.0000 BFGS: 1013 13:58:38 -1673.273079 0.0000 BFGS: 1014 13:58:38 -1673.273079 0.0000 BFGS: 1015 13:58:38 -1673.273079 0.0000 BFGS: 1016 13:58:38 -1673.273079 0.0000 BFGS: 1017 13:58:38 -1673.273079 0.0000 BFGS: 1018 13:58:38 -1673.273079 0.0000 BFGS: 1019 13:58:38 -1673.273079 0.0000 BFGS: 1020 13:58:39 -1673.273079 0.0000 BFGS: 1021 13:58:39 -1673.273079 0.0000 BFGS: 1022 13:58:39 -1673.273079 0.0000 BFGS: 1023 13:58:39 -1673.273079 0.0000 BFGS: 1024 13:58:39 -1673.273079 0.0000 BFGS: 1025 13:58:39 -1673.273079 0.0000 BFGS: 1026 13:58:39 -1673.273079 0.0000 BFGS: 1027 13:58:39 -1673.273079 0.0000 BFGS: 1028 13:58:39 -1673.273079 0.0000 BFGS: 1029 13:58:39 -1673.273079 0.0000 BFGS: 1030 13:58:39 -1673.273079 0.0000 BFGS: 1031 13:58:40 -1673.273079 0.0000 BFGS: 1032 13:58:40 -1673.273079 0.0000 BFGS: 1033 13:58:40 -1673.273079 0.0000 BFGS: 1034 13:58:40 -1673.273079 0.0000 BFGS: 1035 13:58:40 -1673.273079 0.0000 BFGS: 1036 13:58:40 -1673.273079 0.0000 BFGS: 1037 13:58:40 -1673.273079 0.0000 BFGS: 1038 13:58:40 -1673.273079 0.0000 BFGS: 1039 13:58:40 -1673.273079 0.0000 BFGS: 1040 13:58:40 -1673.273079 0.0000 BFGS: 1041 13:58:40 -1673.273079 0.0000 BFGS: 1042 13:58:40 -1673.273079 0.0000 BFGS: 1043 13:58:41 -1673.273079 0.0000 BFGS: 1044 13:58:41 -1673.273079 0.0000 BFGS: 1045 13:58:41 -1673.273079 0.0000 BFGS: 1046 13:58:41 -1673.273079 0.0000 BFGS: 1047 13:58:41 -1673.273079 0.0000 BFGS: 1048 13:58:41 -1673.273079 0.0000 BFGS: 1049 13:58:41 -1673.273079 0.0000 BFGS: 1050 13:58:41 -1673.273079 0.0000 BFGS: 1051 13:58:41 -1673.273079 0.0000 BFGS: 1052 13:58:41 -1673.273079 0.0000 BFGS: 1053 13:58:41 -1673.273079 0.0000 BFGS: 1054 13:58:42 -1673.273079 0.0000 BFGS: 1055 13:58:42 -1673.273079 0.0000 BFGS: 1056 13:58:42 -1673.273079 0.0000 BFGS: 1057 13:58:42 -1673.273079 0.0000 BFGS: 1058 13:58:42 -1673.273079 0.0000 Minimization converged after 1058 steps. Maximum force component: 1.5092825451446285e-08 eV/Angstrom Maximum stress component: 3.358589856615492e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.27249862 0.32474931 0.49253159] [0.52620952 0.18433716 0.48663973] [0.34663417 0.20964375 0.98074993] [0.64129744 0.61709392 0.10582963] [0.52319177 0.62757967 0.27582476] [0.07792692 0.90866191 0.78650392] [0.41000784 0.73041357 0.03276146] [0.02445767 0.46184741 0.47557618] [0.60366114 0.07359796 0.90653836] [0.44410391 0.48924268 0.72709138] [0.03324349 0.9017043 0.62522261] [0.6304732 0.7683025 0.94953554] [0.45096736 0.40733486 0.36791819] [0.84775095 0.08774235 0.84566068] [0.22709439 0.99387723 0.03782734] [0.40495873 0.39223316 0.59413599] [0.25255869 0.9350377 0.65112112] [0.77298817 0.47950154 0.23407189] [0.40466942 0.1719528 0.35423647] [0.77004884 0.11739948 0.01320731] [0.58838404 0.93386145 0.42503664] [0.97107805 0.07164615 0.0952416 ] [0.43666635 0.90579222 0.32729966] [0.12574965 0.53337193 0.59651362] [0.82292708 0.86742736 0.94557707] [0.94684914 0.53232627 0.3247458 ] [0.35791336 0.03881575 0.51016379] [0.21822416 0.67950146 0.69627635] [0.84963471 0.57823478 0.98839635] [0.69539404 0.72533062 0.32312378] [0.41304694 0.26668922 0.82197674] [0.03072138 0.93806677 0.95527249] [0.20787465 0.44264587 0.33828292] [0.22536405 0.40668142 0.73253518] [0.79554074 0.34653572 0.08428488] [0.34044104 0.16392636 0.64824751] [0.09345913 0.132406 0.40629136] [0.21100873 0.5884105 0.9236326 ] [0.74408303 0.13139913 0.27608944] [0.71130338 0.41614305 0.46108911] [0.37746898 0.92815439 0.83610667] [0.90971186 0.7470277 0.1392715 ] [0.90770619 0.81697178 0.46120462] [0.63232746 0.43679355 0.89025668] [0.2045418 0.81069797 0.23454085] [0.4442824 0.40596973 0.14717173] [0.89195769 0.6822023 0.76861688] [0.99362824 0.25941632 0.66047385] [0.51951557 0.97643464 0.12184678] [0.04629332 0.26985892 0.90543189] [0.31616774 0.7087149 0.47943255] [0.10312115 0.30171847 0.15825345] [0.58909382 0.73761829 0.62281652] [0.67369787 0.10890575 0.67341509]] cellpar = Cell([[5.255802906181523, -0.41468844793624093, 0.4986037570816432], [1.9887678859540123, 4.4156718129545105, 0.26086056526677054], [0.6907075824142643, 0.2763146561712097, 7.798273368376381]]) forces = [[-5.21804390e-09 -2.38192343e-09 5.45583726e-09] [ 1.90333962e-09 -1.74841431e-09 -2.19352819e-09] [-6.28681693e-09 1.76990769e-10 1.55942651e-09] [ 1.93118949e-09 1.88010319e-09 -2.10053380e-09] [ 5.49102953e-09 6.32673562e-09 1.91534686e-10] [-3.34193722e-09 6.89509048e-09 9.84917551e-10] [-9.29554956e-09 -5.78745297e-09 4.31430165e-09] [-3.26502560e-09 -2.15353685e-09 -1.15870129e-09] [ 2.06673222e-09 1.28919522e-09 1.93986012e-09] [ 2.19267307e-09 -8.17634956e-09 -5.67665716e-09] [ 2.49516418e-09 -3.27898485e-10 -2.12594927e-09] [ 2.88737756e-09 -8.12420603e-10 -2.67190199e-09] [-3.40775674e-09 -3.74253402e-09 2.29663581e-09] [-2.00776903e-09 3.51557853e-10 7.81425326e-10] [ 1.59605952e-09 2.24111918e-09 2.23395724e-09] [ 1.79043107e-09 1.50928255e-08 -1.08699603e-09] [ 1.45008511e-09 -1.33989805e-09 7.64626349e-10] [-7.56725911e-10 -4.30134653e-09 3.09447207e-10] [ 1.37856313e-09 -2.97956017e-10 1.83999922e-09] [-2.10538664e-09 4.16107153e-09 1.60659371e-09] [-3.45864634e-09 -2.30979884e-09 1.67136478e-10] [ 3.06655399e-10 1.86311974e-09 -1.75895209e-10] [-8.58132202e-09 -9.96421216e-10 2.00761115e-09] [-4.74420185e-10 -3.34749813e-11 -2.39389396e-09] [ 4.87323827e-09 8.95635134e-09 -4.40020164e-11] [ 5.59688537e-09 2.95924699e-10 9.06026312e-10] [ 2.61285494e-10 -1.08989530e-10 8.93047664e-10] [ 5.26765559e-09 2.95768490e-09 -3.49522385e-09] [-4.20936802e-09 -2.47819430e-09 1.01852232e-09] [ 3.33422755e-09 1.03110181e-09 -2.42317572e-09] [ 4.84262003e-09 5.87648093e-09 -2.18230819e-09] [ 1.17802770e-09 -4.06555394e-09 -3.34285082e-09] [ 2.12150940e-09 3.48922479e-09 2.75414824e-09] [ 3.90591388e-09 2.92446785e-09 3.43414071e-10] [-9.90297148e-10 -4.32694798e-09 5.25586699e-09] [-2.93396786e-09 -4.16423192e-09 2.71437614e-09] [ 3.96662035e-09 -4.08981138e-10 1.02882173e-11] [ 1.55335386e-09 -3.47663844e-11 -4.94822806e-09] [-3.35707549e-10 -2.28299812e-09 -1.26217250e-09] [-2.11288902e-09 -1.98819819e-09 1.61638380e-09] [-1.01567899e-10 7.41648301e-10 -1.91731345e-09] [ 1.79038927e-09 -1.29063586e-09 3.88975387e-10] [ 2.50930927e-09 -4.26276609e-10 -8.01053044e-10] [ 3.30934264e-09 2.16010906e-09 1.53369080e-09] [-6.05083953e-10 1.76307344e-10 2.57184497e-10] [-2.17211169e-09 -2.82344685e-09 1.89949359e-10] [-1.64036145e-09 1.43637136e-09 -1.09148548e-09] [ 4.12353532e-09 1.05305120e-09 1.33173303e-09] [-1.77621112e-09 -3.54229452e-11 -1.01969956e-10] [-2.02175524e-10 -4.73365589e-09 -5.94997186e-10] [-1.05234167e-09 -5.08174101e-09 -4.53558129e-09] [-3.18093089e-09 8.64225591e-10 1.16176426e-09] [-5.23446695e-09 1.65478907e-09 7.01044843e-10] [ 6.23617436e-10 -5.23604600e-09 -1.20532842e-09]] stress = [-2.14632291e-10 -3.35858986e-10 -1.08565510e-10 2.47659050e-11 -1.83328371e-11 -7.39700991e-11] energy per atom = -30.986538491264465 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0