element(s): ['Al', 'Ni'] AFLOW prototype label: A4B3_cI112_230_af_g Parameter names: ['a', 'x2', 'y3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['11.3441', '0.74197065', '0.3690198'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.74197065 0. 0.25 ] [0.125 0.3690198 0.8809802 ]] spacegroup = 230 cell = [[11.3441, 0, 0], [0, 11.3441, 0], [0, 0, 11.3441]] ========================================= Step Time Energy fmax BFGS: 0 18:20:56 -411.430340 1.6984 BFGS: 1 18:20:56 -411.581266 1.6891 BFGS: 2 18:20:56 -411.865174 1.6724 BFGS: 3 18:20:56 -412.129857 1.6571 BFGS: 4 18:20:56 -412.382697 1.6427 BFGS: 5 18:20:57 -412.627435 1.6287 BFGS: 6 18:20:57 -412.866195 1.6151 BFGS: 7 18:20:57 -413.100280 1.6016 BFGS: 8 18:20:57 -413.330541 1.5882 BFGS: 9 18:20:57 -413.557567 1.5747 BFGS: 10 18:20:57 -413.781782 1.5613 BFGS: 11 18:20:57 -414.003502 1.5478 BFGS: 12 18:20:57 -414.222965 1.5343 BFGS: 13 18:20:57 -414.440353 1.5207 BFGS: 14 18:20:57 -414.655808 1.5070 BFGS: 15 18:20:57 -414.869437 1.4932 BFGS: 16 18:20:57 -415.081320 1.4793 BFGS: 17 18:20:57 -415.291520 1.4653 BFGS: 18 18:20:57 -415.500080 1.4512 BFGS: 19 18:20:57 -415.707030 1.4370 BFGS: 20 18:20:58 -415.912392 1.4227 BFGS: 21 18:20:58 -416.116175 1.4083 BFGS: 22 18:20:58 -416.318384 1.3938 BFGS: 23 18:20:58 -416.519016 1.3792 BFGS: 24 18:20:58 -416.718064 1.3645 BFGS: 25 18:20:58 -416.915516 1.3497 BFGS: 26 18:20:59 -417.111356 1.3349 BFGS: 27 18:20:59 -417.305564 1.3199 BFGS: 28 18:20:59 -417.498119 1.3049 BFGS: 29 18:20:59 -417.688995 1.2897 BFGS: 30 18:20:59 -417.878163 1.2744 BFGS: 31 18:20:59 -418.065595 1.2591 BFGS: 32 18:20:59 -418.251260 1.2436 BFGS: 33 18:20:59 -418.435126 1.2280 BFGS: 34 18:20:59 -418.617164 1.2123 BFGS: 35 18:21:00 -418.797341 1.1964 BFGS: 36 18:21:00 -418.975625 1.1805 BFGS: 37 18:21:00 -419.151986 1.1645 BFGS: 38 18:21:00 -419.326392 1.1483 BFGS: 39 18:21:00 -419.498813 1.1321 BFGS: 40 18:21:00 -419.669219 1.1158 BFGS: 41 18:21:00 -419.837589 1.0994 BFGS: 42 18:21:01 -420.003901 1.0831 BFGS: 43 18:21:01 -420.168135 1.0667 BFGS: 44 18:21:01 -420.330273 1.0504 BFGS: 45 18:21:01 -420.490293 1.0340 BFGS: 46 18:21:01 -420.648179 1.0176 BFGS: 47 18:21:01 -420.803915 1.0013 BFGS: 48 18:21:01 -420.957490 0.9849 BFGS: 49 18:21:01 -421.108891 0.9686 BFGS: 50 18:21:02 -421.258109 0.9523 BFGS: 51 18:21:02 -421.405133 0.9361 BFGS: 52 18:21:02 -421.549954 0.9199 BFGS: 53 18:21:02 -421.692563 0.9037 BFGS: 54 18:21:02 -421.832952 0.8876 BFGS: 55 18:21:02 -421.971115 0.8715 BFGS: 56 18:21:02 -422.107045 0.8554 BFGS: 57 18:21:02 -422.240739 0.8394 BFGS: 58 18:21:02 -422.372192 0.8235 BFGS: 59 18:21:02 -422.501402 0.8075 BFGS: 60 18:21:02 -422.628365 0.7917 BFGS: 61 18:21:02 -422.753080 0.7759 BFGS: 62 18:21:03 -422.875546 0.7601 BFGS: 63 18:21:03 -422.995764 0.7444 BFGS: 64 18:21:03 -423.113735 0.7288 BFGS: 65 18:21:03 -423.229461 0.7133 BFGS: 66 18:21:03 -423.342945 0.6978 BFGS: 67 18:21:03 -423.454190 0.6823 BFGS: 68 18:21:03 -423.563201 0.6670 BFGS: 69 18:21:03 -423.669981 0.6517 BFGS: 70 18:21:03 -423.774531 0.6364 BFGS: 71 18:21:03 -423.876856 0.6212 BFGS: 72 18:21:03 -423.976959 0.6060 BFGS: 73 18:21:04 -424.074842 0.5909 BFGS: 74 18:21:04 -424.170510 0.5758 BFGS: 75 18:21:04 -424.263965 0.5607 BFGS: 76 18:21:04 -424.355211 0.5457 BFGS: 77 18:21:04 -424.444253 0.5308 BFGS: 78 18:21:04 -424.531095 0.5159 BFGS: 79 18:21:04 -424.615742 0.5011 BFGS: 80 18:21:04 -424.698197 0.4863 BFGS: 81 18:21:04 -424.778464 0.4716 BFGS: 82 18:21:04 -424.856549 0.4569 BFGS: 83 18:21:04 -424.932457 0.4423 BFGS: 84 18:21:04 -425.006191 0.4277 BFGS: 85 18:21:05 -425.077758 0.4132 BFGS: 86 18:21:05 -425.147165 0.3988 BFGS: 87 18:21:05 -425.214416 0.3844 BFGS: 88 18:21:05 -425.279521 0.3701 BFGS: 89 18:21:05 -425.342485 0.3558 BFGS: 90 18:21:05 -425.403317 0.3416 BFGS: 91 18:21:05 -425.462025 0.3275 BFGS: 92 18:21:05 -425.518619 0.3135 BFGS: 93 18:21:05 -425.573111 0.2995 BFGS: 94 18:21:05 -425.625511 0.2857 BFGS: 95 18:21:06 -425.675833 0.2719 BFGS: 96 18:21:06 -425.724090 0.2582 BFGS: 97 18:21:06 -425.770296 0.2446 BFGS: 98 18:21:06 -425.814465 0.2311 BFGS: 99 18:21:06 -425.856612 0.2177 BFGS: 100 18:21:06 -425.896753 0.2044 BFGS: 101 18:21:06 -425.934905 0.1912 BFGS: 102 18:21:06 -425.971087 0.1781 BFGS: 103 18:21:06 -426.005317 0.1652 BFGS: 104 18:21:06 -426.037619 0.1524 BFGS: 105 18:21:06 -426.068014 0.1397 BFGS: 106 18:21:06 -426.096529 0.1272 BFGS: 107 18:21:06 -426.123189 0.1154 BFGS: 108 18:21:07 -426.148026 0.1116 BFGS: 109 18:21:07 -426.171072 0.1079 BFGS: 110 18:21:07 -426.192363 0.1042 BFGS: 111 18:21:07 -426.211936 0.1006 BFGS: 112 18:21:07 -426.229816 0.0967 BFGS: 113 18:21:07 -426.245992 0.0923 BFGS: 114 18:21:07 -426.260440 0.0872 BFGS: 115 18:21:07 -426.273137 0.0816 BFGS: 116 18:21:07 -426.284052 0.0752 BFGS: 117 18:21:07 -426.293158 0.0680 BFGS: 118 18:21:07 -426.300427 0.0598 BFGS: 119 18:21:07 -426.305851 0.0501 BFGS: 120 18:21:07 -426.309502 0.0380 BFGS: 121 18:21:08 -426.311451 0.0352 BFGS: 122 18:21:08 -426.314095 0.0343 BFGS: 123 18:21:08 -426.318274 0.0238 BFGS: 124 18:21:08 -426.320794 0.0087 BFGS: 125 18:21:08 -426.321425 0.0045 BFGS: 126 18:21:08 -426.321470 0.0019 BFGS: 127 18:21:08 -426.321474 0.0014 BFGS: 128 18:21:08 -426.321477 0.0010 BFGS: 129 18:21:08 -426.321479 0.0004 BFGS: 130 18:21:08 -426.321480 0.0001 BFGS: 131 18:21:08 -426.321480 0.0000 BFGS: 132 18:21:08 -426.321480 0.0000 BFGS: 133 18:21:08 -426.321480 0.0000 BFGS: 134 18:21:08 -426.321480 0.0000 Minimization converged after 134 steps. Maximum force component: 8.969055741475477e-10 eV/Angstrom Maximum stress component: 2.1962438839570957e-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', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 9.11606840e-33 2.65778332e-32] [5.00000000e-01 1.20557419e-32 5.00000000e-01] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 3.07885102e-32] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 5.00000000e-01 2.56033315e-32] [5.00000000e-01 8.60248708e-33 3.06864838e-32] [0.00000000e+00 1.26282889e-32 5.00000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [7.44645916e-01 1.99746306e-32 2.50000000e-01] [7.55354084e-01 1.66038613e-32 7.50000000e-01] [2.55354084e-01 5.00000000e-01 2.50000000e-01] [2.44645916e-01 5.00000000e-01 7.50000000e-01] [2.50000000e-01 7.44645916e-01 2.79096474e-32] [7.50000000e-01 7.55354084e-01 2.17003355e-32] [2.50000000e-01 2.55354084e-01 5.00000000e-01] [7.50000000e-01 2.44645916e-01 5.00000000e-01] [0.00000000e+00 2.50000000e-01 7.44645916e-01] [0.00000000e+00 7.50000000e-01 7.55354084e-01] [5.00000000e-01 2.50000000e-01 2.55354084e-01] [5.00000000e-01 7.50000000e-01 2.44645916e-01] [7.50000000e-01 9.94645916e-01 6.12867148e-34] [7.50000000e-01 5.35408434e-03 5.00000000e-01] [2.50000000e-01 5.05354084e-01 2.58855730e-33] [2.50000000e-01 4.94645916e-01 5.00000000e-01] [4.94645916e-01 5.00000000e-01 2.50000000e-01] [5.05354084e-01 2.73975807e-32 2.50000000e-01] [5.35408434e-03 5.00000000e-01 7.50000000e-01] [9.94645916e-01 0.00000000e+00 7.50000000e-01] [8.73064643e-33 2.50000000e-01 5.05354084e-01] [5.00000000e-01 2.50000000e-01 4.94645916e-01] [0.00000000e+00 7.50000000e-01 9.94645916e-01] [5.00000000e-01 7.50000000e-01 5.35408434e-03] [2.55354084e-01 3.79332509e-32 7.50000000e-01] [2.44645916e-01 2.09947318e-32 2.50000000e-01] [7.44645916e-01 5.00000000e-01 7.50000000e-01] [7.55354084e-01 5.00000000e-01 2.50000000e-01] [7.50000000e-01 2.55354084e-01 1.83940785e-32] [2.50000000e-01 2.44645916e-01 2.21599858e-32] [7.50000000e-01 7.44645916e-01 5.00000000e-01] [2.50000000e-01 7.55354084e-01 5.00000000e-01] [1.69480800e-32 7.50000000e-01 2.55354084e-01] [0.00000000e+00 2.50000000e-01 2.44645916e-01] [5.00000000e-01 7.50000000e-01 7.44645916e-01] [5.00000000e-01 2.50000000e-01 7.55354084e-01] [7.50000000e-01 5.05354084e-01 5.00000000e-01] [7.50000000e-01 4.94645916e-01 3.56591912e-32] [2.50000000e-01 9.94645916e-01 5.00000000e-01] [2.50000000e-01 5.35408434e-03 1.83032320e-32] [5.35408434e-03 5.01583377e-33 2.50000000e-01] [9.94645916e-01 5.00000000e-01 2.50000000e-01] [4.94645916e-01 1.41201365e-32 7.50000000e-01] [5.05354084e-01 5.00000000e-01 7.50000000e-01] [5.00000000e-01 2.50000000e-01 9.94645916e-01] [0.00000000e+00 2.50000000e-01 5.35408434e-03] [5.00000000e-01 7.50000000e-01 5.05354084e-01] [1.02750106e-33 7.50000000e-01 4.94645916e-01] [1.25000000e-01 3.69286220e-01 8.80713780e-01] [3.75000000e-01 6.30713780e-01 3.80713780e-01] [8.75000000e-01 8.69286220e-01 6.19286220e-01] [6.25000000e-01 1.30713780e-01 1.19286220e-01] [8.80713780e-01 1.25000000e-01 3.69286220e-01] [3.80713780e-01 3.75000000e-01 6.30713780e-01] [6.19286220e-01 8.75000000e-01 8.69286220e-01] [1.19286220e-01 6.25000000e-01 1.30713780e-01] [3.69286220e-01 8.80713780e-01 1.25000000e-01] [6.30713780e-01 3.80713780e-01 3.75000000e-01] [8.69286220e-01 6.19286220e-01 8.75000000e-01] [1.30713780e-01 1.19286220e-01 6.25000000e-01] [1.19286220e-01 3.75000000e-01 3.69286220e-01] [3.80713780e-01 6.25000000e-01 8.69286220e-01] [6.19286220e-01 1.25000000e-01 6.30713780e-01] [8.80713780e-01 8.75000000e-01 1.30713780e-01] [8.75000000e-01 1.30713780e-01 8.80713780e-01] [1.25000000e-01 6.30713780e-01 6.19286220e-01] [6.25000000e-01 8.69286220e-01 3.80713780e-01] [3.75000000e-01 3.69286220e-01 1.19286220e-01] [6.30713780e-01 6.19286220e-01 1.25000000e-01] [1.30713780e-01 8.80713780e-01 8.75000000e-01] [3.69286220e-01 1.19286220e-01 3.75000000e-01] [8.69286220e-01 3.80713780e-01 6.25000000e-01] [8.75000000e-01 6.30713780e-01 1.19286220e-01] [6.25000000e-01 3.69286220e-01 6.19286220e-01] [1.25000000e-01 1.30713780e-01 3.80713780e-01] [3.75000000e-01 8.69286220e-01 8.80713780e-01] [1.19286220e-01 8.75000000e-01 6.30713780e-01] [6.19286220e-01 6.25000000e-01 3.69286220e-01] [3.80713780e-01 1.25000000e-01 1.30713780e-01] [8.80713780e-01 3.75000000e-01 8.69286220e-01] [6.30713780e-01 1.19286220e-01 8.75000000e-01] [3.69286220e-01 6.19286220e-01 6.25000000e-01] [1.30713780e-01 3.80713780e-01 1.25000000e-01] [8.69286220e-01 8.80713780e-01 3.75000000e-01] [3.75000000e-01 1.30713780e-01 6.19286220e-01] [1.25000000e-01 8.69286220e-01 1.19286220e-01] [6.25000000e-01 6.30713780e-01 8.80713780e-01] [8.75000000e-01 3.69286220e-01 3.80713780e-01] [6.19286220e-01 3.75000000e-01 1.30713780e-01] [1.19286220e-01 1.25000000e-01 8.69286220e-01] [8.80713780e-01 6.25000000e-01 6.30713780e-01] [3.80713780e-01 8.75000000e-01 3.69286220e-01] [1.30713780e-01 6.19286220e-01 3.75000000e-01] [8.69286220e-01 1.19286220e-01 1.25000000e-01] [6.30713780e-01 8.80713780e-01 6.25000000e-01] [3.69286220e-01 3.80713780e-01 8.75000000e-01]] cellpar = Cell([[11.941468569923908, -5.831904116706266e-33, -1.4047299352021658e-33], [-4.011773483887331e-32, 11.941468569923908, 1.0777440669468105e-18], [1.3428995841148653e-33, 1.0777440669468128e-18, 11.941468569923908]]) forces = [[-9.81266428e-32 -1.31857676e-31 1.47189964e-31] [ 5.51962366e-31 -4.90633214e-32 -9.81266428e-32] [-1.22658303e-32 -3.43443250e-31 3.31177419e-31] [ 4.83109405e-64 -1.47189964e-31 -1.01193100e-31] [ 7.35949821e-31 2.45316607e-31 2.21403688e-50] [-2.94379928e-31 -3.43443250e-31 -3.09965163e-50] [-9.81266428e-32 -2.45316607e-31 -1.04259558e-30] [-4.90633214e-32 -3.43443250e-31 9.81266428e-32] [ 3.43443250e-31 -1.83987455e-31 -3.43443250e-31] [ 3.67974910e-32 2.45316607e-32 2.05452658e-31] [ 1.71721625e-31 2.45316607e-31 2.08519116e-31] [ 2.94379928e-31 5.32030391e-31 4.80169247e-50] [ 1.96253286e-31 5.02899044e-31 4.90633214e-32] [-9.66908499e-64 2.94379928e-31 1.96253286e-31] [-4.81433841e-31 4.17038232e-31 1.59455794e-31] [ 4.04772401e-31 8.85614750e-51 9.81266428e-32] [-8.96905574e-10 -1.22658303e-31 1.59455794e-31] [ 8.96905574e-10 -3.43443250e-31 4.90633214e-32] [ 8.96905574e-10 2.57582437e-31 4.41569892e-31] [-8.96905574e-10 4.41569892e-31 1.47189964e-31] [ 1.47189964e-31 -8.96905574e-10 -8.07024040e-29] [-2.45316607e-32 8.96905574e-10 8.11194422e-29] [ 4.41569892e-31 8.96905574e-10 8.08005306e-29] [ 1.47189964e-31 -8.96905574e-10 -8.11685055e-29] [ 1.96253286e-31 -8.09967839e-29 -8.96905574e-10] [-4.17038232e-31 8.06288090e-29 8.96905574e-10] [ 2.69848268e-31 8.11930372e-29 8.96905574e-10] [ 4.66101553e-31 -8.09967839e-29 -8.96905574e-10] [ 7.35949821e-32 -8.96905574e-10 -8.11807714e-29] [ 4.23171147e-31 8.96905574e-10 8.09185892e-29] [ 3.43443250e-31 8.96905574e-10 8.06533407e-29] [ 1.47189964e-31 -8.96905574e-10 -8.08986573e-29] [-8.96905574e-10 -1.83987455e-31 1.83987455e-31] [ 8.96905574e-10 -2.94379928e-31 2.57582437e-31] [ 8.96905574e-10 -2.45316607e-32 4.41569892e-31] [-8.96905574e-10 -1.47189964e-31 -2.94379928e-31] [-1.47189964e-31 8.15855438e-29 8.96905574e-10] [-2.45316607e-32 -8.09477206e-29 -8.96905574e-10] [ 4.29304062e-32 -8.10665458e-29 -8.96905574e-10] [ 1.59455794e-31 8.09967839e-29 8.96905574e-10] [ 8.96905574e-10 2.20784946e-31 -4.90633214e-32] [-8.96905574e-10 1.22658303e-32 1.31091062e-31] [-8.96905574e-10 -7.35949821e-32 -9.81266428e-32] [ 8.96905574e-10 -1.71721625e-31 1.47189964e-31] [-8.58608124e-32 8.96905574e-10 8.10167159e-29] [ 4.90633214e-32 -8.96905574e-10 -8.07024040e-29] [ 7.35949821e-32 -8.96905574e-10 -8.08495939e-29] [ 1.96253286e-31 8.96905574e-10 8.08189294e-29] [ 2.94379928e-31 8.08250623e-29 8.96905574e-10] [-1.22658303e-31 -8.08986573e-29 -8.96905574e-10] [-1.74788082e-31 -8.10443140e-29 -8.96905574e-10] [-2.45316607e-32 8.09967839e-29 8.96905574e-10] [-2.45316607e-32 8.96905574e-10 8.10213156e-29] [-4.90633214e-32 -8.96905574e-10 -8.09477206e-29] [-1.47189964e-31 -8.96905574e-10 -8.10213156e-29] [ 1.22658303e-31 8.96905574e-10 8.09538535e-29] [ 8.96905574e-10 -4.90633214e-32 9.81266428e-32] [-8.96905574e-10 1.47189964e-31 -1.71721625e-31] [-8.96905574e-10 -9.50601852e-32 1.83987455e-31] [ 8.96905574e-10 1.83987455e-32 -2.45316607e-32] [ 1.50256422e-31 -8.10826447e-29 -8.96905574e-10] [ 6.13291517e-32 8.08250623e-29 8.96905574e-10] [-9.81266428e-32 8.08986573e-29 8.96905574e-10] [ 1.34924134e-31 -8.10213156e-29 -8.96905574e-10] [-1.34924134e-31 -3.26881785e-10 3.26881785e-10] [-1.96253286e-31 3.26881785e-10 3.26881785e-10] [-6.13291517e-33 -3.26881785e-10 -3.26881785e-10] [ 9.81266428e-32 3.26881785e-10 -3.26881785e-10] [ 3.26881785e-10 -2.94527440e-29 -3.26881785e-10] [ 3.26881785e-10 2.96980606e-29 3.26881785e-10] [-3.26881785e-10 -2.95263390e-29 -3.26881785e-10] [-3.26881785e-10 2.94941412e-29 3.26881785e-10] [-3.26881785e-10 3.26881785e-10 2.95754023e-29] [ 3.26881785e-10 3.26881785e-10 2.96980606e-29] [-3.26881785e-10 -3.26881785e-10 -2.95018073e-29] [ 3.26881785e-10 -3.26881785e-10 -2.95263390e-29] [-3.26881785e-10 -2.95263390e-29 -3.26881785e-10] [ 3.26881785e-10 -2.95846017e-29 -3.26881785e-10] [-3.26881785e-10 2.95018073e-29 3.26881785e-10] [ 3.26881785e-10 2.95999339e-29 3.26881785e-10] [-5.82626941e-32 3.26881785e-10 3.26881785e-10] [-7.35949821e-32 3.26881785e-10 -3.26881785e-10] [-1.47189964e-31 -3.26881785e-10 3.26881785e-10] [-1.47189964e-31 -3.26881785e-10 -3.26881785e-10] [ 3.26881785e-10 -3.26881785e-10 -2.95999339e-29] [ 3.26881785e-10 3.26881785e-10 2.94527440e-29] [-3.26881785e-10 -3.26881785e-10 -2.95018073e-29] [-3.26881785e-10 3.26881785e-10 2.95508706e-29] [ 8.58608124e-31 3.26881785e-10 -3.26881785e-10] [ 2.45316607e-32 -3.26881785e-10 -3.26881785e-10] [ 7.35949821e-32 3.26881785e-10 3.26881785e-10] [ 4.90633214e-32 -3.26881785e-10 3.26881785e-10] [-3.26881785e-10 2.89375791e-29 3.26881785e-10] [-3.26881785e-10 -2.90479716e-29 -3.26881785e-10] [ 3.26881785e-10 2.95263390e-29 3.26881785e-10] [ 3.26881785e-10 -2.93055540e-29 -3.26881785e-10] [ 3.26881785e-10 -3.26881785e-10 -2.92810224e-29] [-3.26881785e-10 -3.26881785e-10 -2.92564907e-29] [ 3.26881785e-10 3.26881785e-10 2.97225922e-29] [-3.26881785e-10 3.26881785e-10 2.98452506e-29] [ 3.18911589e-31 3.26881785e-10 -3.26881785e-10] [-9.19937276e-32 -3.26881785e-10 -3.26881785e-10] [ 6.19424432e-31 3.26881785e-10 3.26881785e-10] [ 1.47189964e-31 -3.26881785e-10 3.26881785e-10] [-3.26881785e-10 2.94159465e-29 3.26881785e-10] [-3.26881785e-10 -2.95999339e-29 -3.26881785e-10] [ 3.26881785e-10 2.96735289e-29 3.26881785e-10] [ 3.26881785e-10 -2.94573437e-29 -3.26881785e-10] [ 3.26881785e-10 -3.26881785e-10 -3.04585421e-29] [-3.26881785e-10 -3.26881785e-10 -2.97287252e-29] [ 3.26881785e-10 3.26881785e-10 2.96673960e-29] [-3.26881785e-10 3.26881785e-10 2.92810224e-29]] stress = [-2.19624388e-11 -2.19624388e-11 -2.19624388e-11 -3.33443866e-30 -2.28700684e-34 -1.92181319e-52] energy per atom = -3.8064417868787332 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0