element(s): ['Al', 'Mg'] AFLOW prototype label: A30B23_hR53_148_5f_a2c3f Parameter names: ['a', 'c/a', 'x2', 'x3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.771796', '1.7029179', '0.83908265', '0.57721743', '0.26534258', '0.59074834', '0.6492734', '0.33906271', '0.83454273', '0.63999898', '0.56957562', '0.81768135', '0.71718242', '0.74027573', '0.99083998', '0.58455228', '0.12703057', '0.75590653', '0.83076696', '0.58165668', '0.88712245', '0.40531356', '0.44286504', '0.95184048', '0.15192119', '0.3087187', '0.8821025', '0.92997536'] model name: EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg'] representative atom coordinates = [[0.14748529 0.91103977 0.50178811] [0.03546417 0.76999208 0.60453481] [0.01570262 0.88379845 0.7014798 ] [0.81266295 0.78104935 0.77188933] [0.25953227 0.81532816 0.57123469] [0. 0. 0. ] [0. 0. 0.83908265] [0. 0. 0.57721743] [0.780616 0.73757511 0.62469756] [0.63637895 0.56370176 0.51554224] [0.22304317 0.82482969 0.70693219]] spacegroup = 148 cell = [[12.7718, 0, 0], [-6.3859, 11.060703252054, 0], [0, 0, 21.7493]] ========================================= Step Time Energy fmax BFGS: 0 18:19:11 -416.407294 0.4157 BFGS: 1 18:19:11 -416.525417 0.3853 BFGS: 2 18:19:11 -417.195206 0.3317 BFGS: 3 18:19:11 -417.348346 0.3204 BFGS: 4 18:19:11 -417.398862 0.3131 BFGS: 5 18:19:12 -417.624650 0.2669 BFGS: 6 18:19:12 -417.788313 0.2085 BFGS: 7 18:19:12 -417.874749 0.1801 BFGS: 8 18:19:12 -417.908559 0.1842 BFGS: 9 18:19:12 -417.984660 0.1663 BFGS: 10 18:19:12 -418.054895 0.1444 BFGS: 11 18:19:12 -418.111369 0.1189 BFGS: 12 18:19:12 -418.130044 0.0747 BFGS: 13 18:19:12 -418.138987 0.0674 BFGS: 14 18:19:12 -418.150279 0.0737 BFGS: 15 18:19:12 -418.166554 0.0688 BFGS: 16 18:19:12 -418.179753 0.0469 BFGS: 17 18:19:12 -418.185508 0.0428 BFGS: 18 18:19:12 -418.187728 0.0431 BFGS: 19 18:19:13 -418.190078 0.0435 BFGS: 20 18:19:13 -418.193597 0.0442 BFGS: 21 18:19:13 -418.196715 0.0450 BFGS: 22 18:19:13 -418.198342 0.0454 BFGS: 23 18:19:13 -418.199169 0.0455 BFGS: 24 18:19:13 -418.200146 0.0455 BFGS: 25 18:19:13 -418.201579 0.0456 BFGS: 26 18:19:13 -418.202981 0.0456 BFGS: 27 18:19:13 -418.203848 0.0455 BFGS: 28 18:19:13 -418.204403 0.0454 BFGS: 29 18:19:13 -418.205141 0.0451 BFGS: 30 18:19:13 -418.206394 0.0445 BFGS: 31 18:19:13 -418.207960 0.0434 BFGS: 32 18:19:13 -418.209181 0.0423 BFGS: 33 18:19:13 -418.209917 0.0416 BFGS: 34 18:19:14 -418.210651 0.0410 BFGS: 35 18:19:14 -418.211942 0.0397 BFGS: 36 18:19:14 -418.213962 0.0372 BFGS: 37 18:19:14 -418.216155 0.0364 BFGS: 38 18:19:14 -418.217720 0.0366 BFGS: 39 18:19:14 -418.218923 0.0368 BFGS: 40 18:19:14 -418.220678 0.0372 BFGS: 41 18:19:14 -418.223886 0.0380 BFGS: 42 18:19:14 -418.227121 0.0388 BFGS: 43 18:19:14 -418.230369 0.0395 BFGS: 44 18:19:14 -418.233357 0.0401 BFGS: 45 18:19:14 -418.235822 0.0407 BFGS: 46 18:19:14 -418.237662 0.0412 BFGS: 47 18:19:14 -418.239022 0.0415 BFGS: 48 18:19:14 -418.240387 0.0415 BFGS: 49 18:19:15 -418.242269 0.0413 BFGS: 50 18:19:15 -418.243265 0.0409 BFGS: 51 18:19:15 -418.243701 0.0406 BFGS: 52 18:19:15 -418.244000 0.0402 BFGS: 53 18:19:15 -418.244473 0.0395 BFGS: 54 18:19:15 -418.245017 0.0384 BFGS: 55 18:19:15 -418.245414 0.0375 BFGS: 56 18:19:15 -418.245599 0.0370 BFGS: 57 18:19:15 -418.245733 0.0366 BFGS: 58 18:19:15 -418.245941 0.0361 BFGS: 59 18:19:15 -418.246252 0.0350 BFGS: 60 18:19:15 -418.246585 0.0335 BFGS: 61 18:19:15 -418.246841 0.0323 BFGS: 62 18:19:15 -418.247079 0.0311 BFGS: 63 18:19:15 -418.247462 0.0293 BFGS: 64 18:19:16 -418.248181 0.0256 BFGS: 65 18:19:16 -418.249095 0.0207 BFGS: 66 18:19:16 -418.249992 0.0157 BFGS: 67 18:19:16 -418.250733 0.0126 BFGS: 68 18:19:16 -418.251047 0.0122 BFGS: 69 18:19:16 -418.251419 0.0111 BFGS: 70 18:19:16 -418.251914 0.0117 BFGS: 71 18:19:16 -418.252435 0.0104 BFGS: 72 18:19:16 -418.252727 0.0067 BFGS: 73 18:19:16 -418.252822 0.0056 BFGS: 74 18:19:16 -418.252868 0.0045 BFGS: 75 18:19:16 -418.252925 0.0033 BFGS: 76 18:19:16 -418.252972 0.0025 BFGS: 77 18:19:16 -418.252991 0.0017 BFGS: 78 18:19:16 -418.252996 0.0015 BFGS: 79 18:19:17 -418.253000 0.0011 BFGS: 80 18:19:17 -418.253004 0.0008 BFGS: 81 18:19:17 -418.253007 0.0005 BFGS: 82 18:19:17 -418.253008 0.0005 BFGS: 83 18:19:17 -418.253008 0.0005 BFGS: 84 18:19:17 -418.253009 0.0004 BFGS: 85 18:19:17 -418.253009 0.0003 BFGS: 86 18:19:17 -418.253009 0.0001 BFGS: 87 18:19:17 -418.253009 0.0001 BFGS: 88 18:19:17 -418.253009 0.0001 BFGS: 89 18:19:17 -418.253009 0.0000 BFGS: 90 18:19:17 -418.253009 0.0000 BFGS: 91 18:19:17 -418.253009 0.0000 BFGS: 92 18:19:17 -418.253009 0.0000 BFGS: 93 18:19:18 -418.253009 0.0000 BFGS: 94 18:19:18 -418.253009 0.0000 BFGS: 95 18:19:18 -418.253009 0.0000 BFGS: 96 18:19:18 -418.253009 0.0000 BFGS: 97 18:19:18 -418.253009 0.0000 BFGS: 98 18:19:18 -418.253009 0.0000 BFGS: 99 18:19:18 -418.253009 0.0000 BFGS: 100 18:19:18 -418.253009 0.0000 BFGS: 101 18:19:18 -418.253009 0.0000 BFGS: 102 18:19:18 -418.253009 0.0000 BFGS: 103 18:19:18 -418.253009 0.0000 BFGS: 104 18:19:18 -418.253009 0.0000 BFGS: 105 18:19:18 -418.253009 0.0000 BFGS: 106 18:19:18 -418.253009 0.0000 BFGS: 107 18:19:18 -418.253009 0.0000 BFGS: 108 18:19:19 -418.253009 0.0000 BFGS: 109 18:19:19 -418.253009 0.0000 BFGS: 110 18:19:19 -418.253009 0.0000 BFGS: 111 18:19:19 -418.253009 0.0000 BFGS: 112 18:19:19 -418.253009 0.0000 BFGS: 113 18:19:19 -418.253009 0.0000 BFGS: 114 18:19:19 -418.253009 0.0000 BFGS: 115 18:19:19 -418.253009 0.0000 BFGS: 116 18:19:19 -418.253009 0.0000 BFGS: 117 18:19:19 -418.253009 0.0000 BFGS: 118 18:19:19 -418.253009 0.0000 BFGS: 119 18:19:19 -418.253009 0.0000 BFGS: 120 18:19:19 -418.253009 0.0000 BFGS: 121 18:19:19 -418.253009 0.0000 BFGS: 122 18:19:19 -418.253009 0.0000 BFGS: 123 18:19:19 -418.253009 0.0000 BFGS: 124 18:19:20 -418.253009 0.0000 BFGS: 125 18:19:20 -418.253009 0.0000 BFGS: 126 18:19:20 -418.253009 0.0000 BFGS: 127 18:19:20 -418.253009 0.0000 BFGS: 128 18:19:20 -418.253009 0.0000 BFGS: 129 18:19:20 -418.253009 0.0000 BFGS: 130 18:19:20 -418.253009 0.0000 BFGS: 131 18:19:20 -418.253009 0.0000 BFGS: 132 18:19:20 -418.253009 0.0000 BFGS: 133 18:19:20 -418.253009 0.0000 BFGS: 134 18:19:20 -418.253009 0.0000 BFGS: 135 18:19:20 -418.253009 0.0000 BFGS: 136 18:19:20 -418.253009 0.0000 BFGS: 137 18:19:20 -418.253009 0.0000 BFGS: 138 18:19:20 -418.253009 0.0000 BFGS: 139 18:19:20 -418.253009 0.0000 BFGS: 140 18:19:21 -418.253009 0.0000 BFGS: 141 18:19:21 -418.253009 0.0000 BFGS: 142 18:19:21 -418.253009 0.0000 BFGS: 143 18:19:21 -418.253009 0.0000 BFGS: 144 18:19:21 -418.253009 0.0000 BFGS: 145 18:19:21 -418.253009 0.0000 BFGS: 146 18:19:21 -418.253009 0.0000 BFGS: 147 18:19:21 -418.253009 0.0000 BFGS: 148 18:19:21 -418.253009 0.0000 BFGS: 149 18:19:21 -418.253009 0.0000 BFGS: 150 18:19:21 -418.253009 0.0000 BFGS: 151 18:19:21 -418.253009 0.0000 BFGS: 152 18:19:21 -418.253009 0.0000 BFGS: 153 18:19:21 -418.253009 0.0000 BFGS: 154 18:19:21 -418.253009 0.0000 BFGS: 155 18:19:22 -418.253009 0.0000 BFGS: 156 18:19:22 -418.253009 0.0000 Minimization converged after 156 steps. Maximum force component: 9.779657070269407e-09 eV/Angstrom Maximum stress component: 9.450434766237018e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg'] basis = [[1.55523766e-01 9.13071364e-01 5.00786067e-01] [8.69286361e-02 2.42452402e-01 5.00786067e-01] [7.57547598e-01 8.44476234e-01 5.00786067e-01] [8.22190433e-01 2.46404697e-01 8.34119401e-01] [7.53595303e-01 5.75785736e-01 8.34119401e-01] [4.24214264e-01 1.77809567e-01 8.34119401e-01] [4.88857100e-01 5.79738031e-01 1.67452734e-01] [4.20261969e-01 9.09119069e-01 1.67452734e-01] [9.08809309e-02 5.11142900e-01 1.67452734e-01] [8.44476234e-01 8.69286361e-02 4.99213933e-01] [9.13071364e-01 7.57547598e-01 4.99213933e-01] [2.42452402e-01 1.55523766e-01 4.99213933e-01] [5.11142900e-01 4.20261969e-01 8.32547266e-01] [5.79738031e-01 9.08809309e-02 8.32547266e-01] [9.09119069e-01 4.88857100e-01 8.32547266e-01] [1.77809567e-01 7.53595303e-01 1.65880599e-01] [2.46404697e-01 4.24214264e-01 1.65880599e-01] [5.75785736e-01 8.22190433e-01 1.65880599e-01] [4.49039888e-02 7.76527263e-01 6.00264849e-01] [2.23472737e-01 2.68376726e-01 6.00264849e-01] [7.31623274e-01 9.55096011e-01 6.00264849e-01] [7.11570655e-01 1.09860597e-01 9.33598182e-01] [8.90139403e-01 6.01710059e-01 9.33598182e-01] [3.98289941e-01 2.88429345e-01 9.33598182e-01] [3.78237322e-01 4.43193930e-01 2.66931516e-01] [5.56806070e-01 9.35043392e-01 2.66931516e-01] [6.49566078e-02 6.21762678e-01 2.66931516e-01] [9.55096011e-01 2.23472737e-01 3.99735151e-01] [7.76527263e-01 7.31623274e-01 3.99735151e-01] [2.68376726e-01 4.49039888e-02 3.99735151e-01] [6.21762678e-01 5.56806070e-01 7.33068484e-01] [4.43193930e-01 6.49566078e-02 7.33068484e-01] [9.35043392e-01 3.78237322e-01 7.33068484e-01] [2.88429345e-01 8.90139403e-01 6.64018176e-02] [1.09860597e-01 3.98289941e-01 6.64018176e-02] [6.01710059e-01 7.11570655e-01 6.64018176e-02] [1.95137584e-02 8.86223152e-01 6.98500534e-01] [1.13776848e-01 1.33290606e-01 6.98500534e-01] [8.66709394e-01 9.80486242e-01 6.98500534e-01] [6.86180425e-01 2.19556486e-01 3.18338677e-02] [7.80443514e-01 4.66623939e-01 3.18338677e-02] [5.33376061e-01 3.13819575e-01 3.18338677e-02] [3.52847092e-01 5.52889819e-01 3.65167201e-01] [4.47110181e-01 7.99957273e-01 3.65167201e-01] [2.00042727e-01 6.47152908e-01 3.65167201e-01] [9.80486242e-01 1.13776848e-01 3.01499466e-01] [8.86223152e-01 8.66709394e-01 3.01499466e-01] [1.33290606e-01 1.95137584e-02 3.01499466e-01] [6.47152908e-01 4.47110181e-01 6.34832799e-01] [5.52889819e-01 2.00042727e-01 6.34832799e-01] [7.99957273e-01 3.52847092e-01 6.34832799e-01] [3.13819575e-01 7.80443514e-01 9.68166132e-01] [2.19556486e-01 5.33376061e-01 9.68166132e-01] [4.66623939e-01 6.86180425e-01 9.68166132e-01] [8.09972853e-01 7.76351757e-01 7.66460570e-01] [2.23648243e-01 3.36210963e-02 7.66460570e-01] [9.66378904e-01 1.90027147e-01 7.66460570e-01] [4.76639520e-01 1.09685090e-01 9.97939033e-02] [8.90314910e-01 3.66954430e-01 9.97939033e-02] [6.33045570e-01 5.23360480e-01 9.97939033e-02] [1.43306186e-01 4.43018424e-01 4.33127237e-01] [5.56981576e-01 7.00287763e-01 4.33127237e-01] [2.99712237e-01 8.56693814e-01 4.33127237e-01] [1.90027147e-01 2.23648243e-01 2.33539430e-01] [7.76351757e-01 9.66378904e-01 2.33539430e-01] [3.36210963e-02 8.09972853e-01 2.33539430e-01] [8.56693814e-01 5.56981576e-01 5.66872763e-01] [4.43018424e-01 2.99712237e-01 5.66872763e-01] [7.00287763e-01 1.43306186e-01 5.66872763e-01] [5.23360480e-01 8.90314910e-01 9.00206097e-01] [1.09685090e-01 6.33045570e-01 9.00206097e-01] [3.66954430e-01 4.76639520e-01 9.00206097e-01] [2.68247936e-01 8.09339047e-01 5.66745886e-01] [1.90660953e-01 4.58908889e-01 5.66745886e-01] [5.41091111e-01 7.31752064e-01 5.66745886e-01] [9.34914602e-01 1.42672380e-01 9.00079219e-01] [8.57327620e-01 7.92242222e-01 9.00079219e-01] [2.07757778e-01 6.50853976e-02 9.00079219e-01] [6.01581269e-01 4.76005714e-01 2.33412553e-01] [5.23994286e-01 1.25575555e-01 2.33412553e-01] [8.74424445e-01 3.98418731e-01 2.33412553e-01] [7.31752064e-01 1.90660953e-01 4.33254114e-01] [8.09339047e-01 5.41091111e-01 4.33254114e-01] [4.58908889e-01 2.68247936e-01 4.33254114e-01] [3.98418731e-01 5.23994286e-01 7.66587447e-01] [4.76005714e-01 8.74424445e-01 7.66587447e-01] [1.25575555e-01 6.01581269e-01 7.66587447e-01] [6.50853976e-02 8.57327620e-01 9.99207808e-02] [1.42672380e-01 2.07757778e-01 9.99207808e-02] [7.92242222e-01 9.34914602e-01 9.99207808e-02] [1.20450535e-16 2.40901071e-16 1.22511311e-16] [6.66666667e-01 3.33333333e-01 3.33333333e-01] [3.33333333e-01 6.66666667e-01 6.66666667e-01] [6.85597851e-17 2.53822792e-16 8.19287128e-01] [6.66666667e-01 3.33333333e-01 1.52620462e-01] [3.33333333e-01 6.66666667e-01 4.85953795e-01] [7.34071662e-17 3.08279707e-16 1.80712872e-01] [6.66666667e-01 3.33333333e-01 5.14046205e-01] [3.33333333e-01 6.66666667e-01 8.47379538e-01] [9.72843906e-17 2.74850662e-16 5.75648590e-01] [6.66666667e-01 3.33333333e-01 9.08981923e-01] [3.33333333e-01 6.66666667e-01 2.42315257e-01] [4.46825607e-17 2.87251837e-16 4.24351410e-01] [6.66666667e-01 3.33333333e-01 7.57684743e-01] [3.33333333e-01 6.66666667e-01 9.10180766e-02] [7.79279271e-01 7.33194826e-01 6.23902569e-01] [2.66805174e-01 4.60844458e-02 6.23902569e-01] [9.53915554e-01 2.20720729e-01 6.23902569e-01] [4.45945938e-01 6.65281590e-02 9.57235902e-01] [9.33471841e-01 3.79417779e-01 9.57235902e-01] [6.20582221e-01 5.54054062e-01 9.57235902e-01] [1.12612605e-01 3.99861492e-01 2.90569235e-01] [6.00138508e-01 7.12751112e-01 2.90569235e-01] [2.87248888e-01 8.87387395e-01 2.90569235e-01] [2.20720729e-01 2.66805174e-01 3.76097431e-01] [7.33194826e-01 9.53915554e-01 3.76097431e-01] [4.60844458e-02 7.79279271e-01 3.76097431e-01] [8.87387395e-01 6.00138508e-01 7.09430765e-01] [3.99861492e-01 2.87248888e-01 7.09430765e-01] [7.12751112e-01 1.12612605e-01 7.09430765e-01] [5.54054062e-01 9.33471841e-01 4.27640980e-02] [6.65281590e-02 6.20582221e-01 4.27640980e-02] [3.79417779e-01 4.45945938e-01 4.27640980e-02] [6.33953818e-01 5.61842863e-01 5.14725396e-01] [4.38157137e-01 7.21109550e-02 5.14725396e-01] [9.27889045e-01 3.66046182e-01 5.14725396e-01] [3.00620484e-01 8.95176196e-01 8.48058729e-01] [1.04823804e-01 4.05444288e-01 8.48058729e-01] [5.94555712e-01 6.99379516e-01 8.48058729e-01] [9.67287151e-01 2.28509529e-01 1.81392063e-01] [7.71490471e-01 7.38777622e-01 1.81392063e-01] [2.61222378e-01 3.27128489e-02 1.81392063e-01] [3.66046182e-01 4.38157137e-01 4.85274604e-01] [5.61842863e-01 9.27889045e-01 4.85274604e-01] [7.21109550e-02 6.33953818e-01 4.85274604e-01] [3.27128489e-02 7.71490471e-01 8.18607937e-01] [2.28509529e-01 2.61222378e-01 8.18607937e-01] [7.38777622e-01 9.67287151e-01 8.18607937e-01] [6.99379516e-01 1.04823804e-01 1.51941271e-01] [8.95176196e-01 5.94555712e-01 1.51941271e-01] [4.05444288e-01 3.00620484e-01 1.51941271e-01] [2.23445681e-01 8.24384604e-01 7.03991104e-01] [1.75615396e-01 3.99061077e-01 7.03991104e-01] [6.00938923e-01 7.76554319e-01 7.03991104e-01] [8.90112347e-01 1.57717937e-01 3.73244375e-02] [8.42282063e-01 7.32394410e-01 3.73244375e-02] [2.67605590e-01 1.09887653e-01 3.73244375e-02] [5.56779014e-01 4.91051271e-01 3.70657771e-01] [5.08948729e-01 6.57277433e-02 3.70657771e-01] [9.34272257e-01 4.43220986e-01 3.70657771e-01] [7.76554319e-01 1.75615396e-01 2.96008896e-01] [8.24384604e-01 6.00938923e-01 2.96008896e-01] [3.99061077e-01 2.23445681e-01 2.96008896e-01] [4.43220986e-01 5.08948729e-01 6.29342229e-01] [4.91051271e-01 9.34272257e-01 6.29342229e-01] [6.57277433e-02 5.56779014e-01 6.29342229e-01] [1.09887653e-01 8.42282063e-01 9.62675563e-01] [1.57717937e-01 2.67605590e-01 9.62675563e-01] [7.32394410e-01 8.90112347e-01 9.62675563e-01]] cellpar = Cell([[12.705774586559466, -2.941208628125093e-13, -1.854661061231668e-17], [-6.352887293279479, 11.00352356671941, -4.1493235785818294e-17], [8.518842872716772e-16, 7.834459524888361e-16, 21.879875258409744]]) forces = [[-8.83907231e-10 -2.66113279e-09 2.59157255e-09] [ 2.74656222e-09 5.65080279e-10 2.59157255e-09] [-1.86265498e-09 2.09605251e-09 2.59157255e-09] [-8.83907231e-10 -2.66113279e-09 2.59157255e-09] [ 2.74656222e-09 5.65080279e-10 2.59157255e-09] [-1.86265498e-09 2.09605251e-09 2.59157255e-09] [-8.83907231e-10 -2.66113279e-09 2.59157255e-09] [ 2.74656222e-09 5.65080279e-10 2.59157255e-09] [-1.86265498e-09 2.09605251e-09 2.59157255e-09] [ 8.83907231e-10 2.66113279e-09 -2.59157255e-09] [-2.74656222e-09 -5.65080279e-10 -2.59157255e-09] [ 1.86265498e-09 -2.09605251e-09 -2.59157255e-09] [ 8.83907231e-10 2.66113279e-09 -2.59157255e-09] [-2.74656222e-09 -5.65080279e-10 -2.59157255e-09] [ 1.86265498e-09 -2.09605251e-09 -2.59157255e-09] [ 8.83907231e-10 2.66113279e-09 -2.59157255e-09] [-2.74656222e-09 -5.65080279e-10 -2.59157255e-09] [ 1.86265498e-09 -2.09605251e-09 -2.59157255e-09] [-1.32627494e-09 -3.29788183e-09 -8.35806452e-10] [ 3.51918691e-09 5.00353130e-10 -8.35806452e-10] [-2.19291198e-09 2.79752870e-09 -8.35806452e-10] [-1.32627494e-09 -3.29788183e-09 -8.35806452e-10] [ 3.51918691e-09 5.00353130e-10 -8.35806452e-10] [-2.19291198e-09 2.79752870e-09 -8.35806452e-10] [-1.32627494e-09 -3.29788183e-09 -8.35806452e-10] [ 3.51918691e-09 5.00353130e-10 -8.35806452e-10] [-2.19291198e-09 2.79752870e-09 -8.35806452e-10] [ 1.32627494e-09 3.29788183e-09 8.35806452e-10] [-3.51918691e-09 -5.00353130e-10 8.35806452e-10] [ 2.19291198e-09 -2.79752870e-09 8.35806452e-10] [ 1.32627494e-09 3.29788183e-09 8.35806452e-10] [-3.51918691e-09 -5.00353130e-10 8.35806452e-10] [ 2.19291198e-09 -2.79752870e-09 8.35806452e-10] [ 1.32627494e-09 3.29788183e-09 8.35806452e-10] [-3.51918691e-09 -5.00353130e-10 8.35806452e-10] [ 2.19291198e-09 -2.79752870e-09 8.35806452e-10] [ 1.93832645e-09 3.03657722e-09 -3.28260382e-09] [-3.59891624e-09 1.60351334e-10 -3.28260382e-09] [ 1.66058979e-09 -3.19692855e-09 -3.28260382e-09] [ 1.93832645e-09 3.03657722e-09 -3.28260382e-09] [-3.59891624e-09 1.60351334e-10 -3.28260382e-09] [ 1.66058979e-09 -3.19692855e-09 -3.28260382e-09] [ 1.93832645e-09 3.03657722e-09 -3.28260382e-09] [-3.59891624e-09 1.60351334e-10 -3.28260382e-09] [ 1.66058979e-09 -3.19692855e-09 -3.28260382e-09] [-1.93832645e-09 -3.03657722e-09 3.28260382e-09] [ 3.59891624e-09 -1.60351334e-10 3.28260382e-09] [-1.66058979e-09 3.19692855e-09 3.28260382e-09] [-1.93832645e-09 -3.03657722e-09 3.28260382e-09] [ 3.59891624e-09 -1.60351334e-10 3.28260382e-09] [-1.66058979e-09 3.19692855e-09 3.28260382e-09] [-1.93832645e-09 -3.03657722e-09 3.28260382e-09] [ 3.59891624e-09 -1.60351334e-10 3.28260382e-09] [-1.66058979e-09 3.19692855e-09 3.28260382e-09] [ 5.11978870e-09 3.59253730e-10 3.71542764e-09] [-2.87101721e-09 4.25424021e-09 3.71542764e-09] [-2.24877149e-09 -4.61349394e-09 3.71542764e-09] [ 5.11978870e-09 3.59253730e-10 3.71542764e-09] [-2.87101721e-09 4.25424021e-09 3.71542764e-09] [-2.24877149e-09 -4.61349394e-09 3.71542764e-09] [ 5.11978870e-09 3.59253730e-10 3.71542764e-09] [-2.87101721e-09 4.25424021e-09 3.71542764e-09] [-2.24877149e-09 -4.61349394e-09 3.71542764e-09] [-5.11978870e-09 -3.59253730e-10 -3.71542764e-09] [ 2.87101721e-09 -4.25424021e-09 -3.71542764e-09] [ 2.24877149e-09 4.61349394e-09 -3.71542764e-09] [-5.11978870e-09 -3.59253730e-10 -3.71542764e-09] [ 2.87101721e-09 -4.25424021e-09 -3.71542764e-09] [ 2.24877149e-09 4.61349394e-09 -3.71542764e-09] [-5.11978870e-09 -3.59253730e-10 -3.71542764e-09] [ 2.87101721e-09 -4.25424021e-09 -3.71542764e-09] [ 2.24877149e-09 4.61349394e-09 -3.71542764e-09] [ 1.23259367e-09 4.83828308e-09 -1.58074692e-09] [-4.80637289e-09 -1.35168411e-09 -1.58074692e-09] [ 3.57377922e-09 -3.48659897e-09 -1.58074692e-09] [ 1.23259367e-09 4.83828308e-09 -1.58074692e-09] [-4.80637289e-09 -1.35168411e-09 -1.58074692e-09] [ 3.57377922e-09 -3.48659897e-09 -1.58074692e-09] [ 1.23259367e-09 4.83828308e-09 -1.58074692e-09] [-4.80637289e-09 -1.35168411e-09 -1.58074692e-09] [ 3.57377922e-09 -3.48659897e-09 -1.58074692e-09] [-1.23259367e-09 -4.83828308e-09 1.58074692e-09] [ 4.80637289e-09 1.35168411e-09 1.58074692e-09] [-3.57377922e-09 3.48659897e-09 1.58074692e-09] [-1.23259367e-09 -4.83828308e-09 1.58074692e-09] [ 4.80637289e-09 1.35168411e-09 1.58074692e-09] [-3.57377922e-09 3.48659897e-09 1.58074692e-09] [-1.23259367e-09 -4.83828308e-09 1.58074692e-09] [ 4.80637289e-09 1.35168411e-09 1.58074692e-09] [-3.57377922e-09 3.48659897e-09 1.58074692e-09] [-5.56838269e-31 4.82236087e-31 -2.39724697e-31] [ 8.35257403e-31 -4.82236087e-31 2.39724697e-31] [-8.35257403e-31 4.82236087e-31 -2.39724697e-31] [-7.88903509e-26 -7.25523767e-26 -2.02623068e-09] [-7.88898984e-26 -7.25525576e-26 -2.02623068e-09] [-7.88899332e-26 -7.25526178e-26 -2.02623068e-09] [ 7.88903857e-26 7.25526781e-26 2.02623068e-09] [ 7.88904901e-26 7.25526178e-26 2.02623068e-09] [ 7.88904901e-26 7.25526178e-26 2.02623068e-09] [-1.88386591e-25 -1.73252258e-25 -4.83854409e-09] [-1.88386800e-25 -1.73252258e-25 -4.83854409e-09] [-1.88386661e-25 -1.73252258e-25 -4.83854409e-09] [ 1.88386748e-25 1.73252288e-25 4.83854409e-09] [ 1.88387148e-25 1.73252137e-25 4.83854409e-09] [ 1.88386800e-25 1.73252258e-25 4.83854409e-09] [ 8.77568555e-09 4.35938089e-09 -1.60430198e-10] [-8.16317737e-09 5.42027618e-09 -1.60430198e-10] [-6.12508179e-10 -9.77965707e-09 -1.60430198e-10] [ 8.77568555e-09 4.35938089e-09 -1.60430198e-10] [-8.16317737e-09 5.42027618e-09 -1.60430198e-10] [-6.12508179e-10 -9.77965707e-09 -1.60430198e-10] [ 8.77568555e-09 4.35938089e-09 -1.60430198e-10] [-8.16317737e-09 5.42027618e-09 -1.60430198e-10] [-6.12508179e-10 -9.77965707e-09 -1.60430198e-10] [-8.77568555e-09 -4.35938089e-09 1.60430198e-10] [ 8.16317737e-09 -5.42027618e-09 1.60430198e-10] [ 6.12508179e-10 9.77965707e-09 1.60430198e-10] [-8.77568555e-09 -4.35938089e-09 1.60430198e-10] [ 8.16317737e-09 -5.42027618e-09 1.60430198e-10] [ 6.12508179e-10 9.77965707e-09 1.60430198e-10] [-8.77568555e-09 -4.35938089e-09 1.60430198e-10] [ 8.16317737e-09 -5.42027618e-09 1.60430198e-10] [ 6.12508179e-10 9.77965707e-09 1.60430198e-10] [-3.18260859e-09 -1.27844194e-10 2.29985218e-09] [ 1.70202061e-09 -2.69229779e-09 2.29985218e-09] [ 1.48058797e-09 2.82014198e-09 2.29985218e-09] [-3.18260859e-09 -1.27844194e-10 2.29985218e-09] [ 1.70202061e-09 -2.69229779e-09 2.29985218e-09] [ 1.48058797e-09 2.82014198e-09 2.29985218e-09] [-3.18260859e-09 -1.27844194e-10 2.29985218e-09] [ 1.70202061e-09 -2.69229779e-09 2.29985218e-09] [ 1.48058797e-09 2.82014198e-09 2.29985218e-09] [ 3.18260859e-09 1.27844194e-10 -2.29985218e-09] [-1.70202061e-09 2.69229779e-09 -2.29985218e-09] [-1.48058797e-09 -2.82014198e-09 -2.29985218e-09] [ 3.18260859e-09 1.27844194e-10 -2.29985218e-09] [-1.70202061e-09 2.69229779e-09 -2.29985218e-09] [-1.48058797e-09 -2.82014198e-09 -2.29985218e-09] [ 3.18260859e-09 1.27844194e-10 -2.29985218e-09] [-1.70202061e-09 2.69229779e-09 -2.29985218e-09] [-1.48058797e-09 -2.82014198e-09 -2.29985218e-09] [-7.44239072e-09 4.82010083e-09 -2.71926337e-09] [-4.53134414e-10 -8.85534984e-09 -2.71926337e-09] [ 7.89552513e-09 4.03524901e-09 -2.71926337e-09] [-7.44239072e-09 4.82010083e-09 -2.71926337e-09] [-4.53134414e-10 -8.85534984e-09 -2.71926337e-09] [ 7.89552513e-09 4.03524901e-09 -2.71926337e-09] [-7.44239072e-09 4.82010083e-09 -2.71926337e-09] [-4.53134414e-10 -8.85534984e-09 -2.71926337e-09] [ 7.89552513e-09 4.03524901e-09 -2.71926337e-09] [ 7.44239072e-09 -4.82010083e-09 2.71926337e-09] [ 4.53134414e-10 8.85534984e-09 2.71926337e-09] [-7.89552513e-09 -4.03524901e-09 2.71926337e-09] [ 7.44239072e-09 -4.82010083e-09 2.71926337e-09] [ 4.53134414e-10 8.85534984e-09 2.71926337e-09] [-7.89552513e-09 -4.03524901e-09 2.71926337e-09] [ 7.44239072e-09 -4.82010083e-09 2.71926337e-09] [ 4.53134414e-10 8.85534984e-09 2.71926337e-09] [-7.89552513e-09 -4.03524901e-09 2.71926337e-09]] stress = [ 9.45043477e-11 9.45043477e-11 -1.96112542e-12 -1.79707106e-27 -3.12952807e-27 4.79201589e-27] energy per atom = -2.6305220717916176 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0