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 16:43:30 -411.430340 1.698405 BFGS: 1 16:43:30 -411.581266 1.689113 BFGS: 2 16:43:31 -411.865174 1.672425 BFGS: 3 16:43:31 -412.129857 1.657144 BFGS: 4 16:43:32 -412.382697 1.642682 BFGS: 5 16:43:33 -412.627435 1.628729 BFGS: 6 16:43:33 -412.866195 1.615076 BFGS: 7 16:43:34 -413.100280 1.601582 BFGS: 8 16:43:34 -413.330541 1.588155 BFGS: 9 16:43:35 -413.557567 1.574746 BFGS: 10 16:43:36 -413.781782 1.561316 BFGS: 11 16:43:37 -414.003502 1.547840 BFGS: 12 16:43:38 -414.222965 1.534300 BFGS: 13 16:43:38 -414.440353 1.520684 BFGS: 14 16:43:39 -414.655808 1.506985 BFGS: 15 16:43:39 -414.869437 1.493187 BFGS: 16 16:43:40 -415.081320 1.479291 BFGS: 17 16:43:40 -415.291520 1.465290 BFGS: 18 16:43:41 -415.500080 1.451190 BFGS: 19 16:43:42 -415.707030 1.436985 BFGS: 20 16:43:42 -415.912392 1.422680 BFGS: 21 16:43:43 -416.116175 1.408274 BFGS: 22 16:43:44 -416.318384 1.393774 BFGS: 23 16:43:45 -416.519016 1.379185 BFGS: 24 16:43:46 -416.718064 1.364503 BFGS: 25 16:43:47 -416.915516 1.349730 BFGS: 26 16:43:48 -417.111356 1.334868 BFGS: 27 16:43:48 -417.305564 1.319917 BFGS: 28 16:43:49 -417.498119 1.304869 BFGS: 29 16:43:50 -417.688995 1.289713 BFGS: 30 16:43:50 -417.878163 1.274450 BFGS: 31 16:43:51 -418.065595 1.259070 BFGS: 32 16:43:52 -418.251260 1.243579 BFGS: 33 16:43:52 -418.435126 1.227976 BFGS: 34 16:43:53 -418.617164 1.212259 BFGS: 35 16:43:54 -418.797341 1.196434 BFGS: 36 16:43:55 -418.975625 1.180502 BFGS: 37 16:43:55 -419.151986 1.164465 BFGS: 38 16:43:56 -419.326392 1.148327 BFGS: 39 16:43:56 -419.498813 1.132086 BFGS: 40 16:43:57 -419.669219 1.115766 BFGS: 41 16:43:58 -419.837589 1.099434 BFGS: 42 16:43:58 -420.003901 1.083093 BFGS: 43 16:43:59 -420.168135 1.066738 BFGS: 44 16:43:59 -420.330273 1.050373 BFGS: 45 16:44:00 -420.490293 1.033995 BFGS: 46 16:44:01 -420.648179 1.017612 BFGS: 47 16:44:01 -420.803915 1.001252 BFGS: 48 16:44:02 -420.957490 0.984921 BFGS: 49 16:44:02 -421.108891 0.968618 BFGS: 50 16:44:02 -421.258109 0.952347 BFGS: 51 16:44:03 -421.405133 0.936104 BFGS: 52 16:44:04 -421.549954 0.919895 BFGS: 53 16:44:05 -421.692563 0.903719 BFGS: 54 16:44:06 -421.832952 0.887580 BFGS: 55 16:44:06 -421.971115 0.871482 BFGS: 56 16:44:08 -422.107045 0.855424 BFGS: 57 16:44:09 -422.240739 0.839417 BFGS: 58 16:44:09 -422.372192 0.823458 BFGS: 59 16:44:10 -422.501402 0.807549 BFGS: 60 16:44:11 -422.628365 0.791691 BFGS: 61 16:44:13 -422.753080 0.775881 BFGS: 62 16:44:13 -422.875546 0.760133 BFGS: 63 16:44:14 -422.995764 0.744444 BFGS: 64 16:44:15 -423.113735 0.728819 BFGS: 65 16:44:15 -423.229461 0.713262 BFGS: 66 16:44:16 -423.342945 0.697773 BFGS: 67 16:44:17 -423.454190 0.682347 BFGS: 68 16:44:17 -423.563201 0.666985 BFGS: 69 16:44:17 -423.669981 0.651670 BFGS: 70 16:44:18 -423.774531 0.636403 BFGS: 71 16:44:18 -423.876856 0.621177 BFGS: 72 16:44:18 -423.976959 0.605995 BFGS: 73 16:44:19 -424.074842 0.590862 BFGS: 74 16:44:20 -424.170510 0.575773 BFGS: 75 16:44:20 -424.263965 0.560736 BFGS: 76 16:44:21 -424.355211 0.545747 BFGS: 77 16:44:22 -424.444253 0.530813 BFGS: 78 16:44:22 -424.531095 0.515931 BFGS: 79 16:44:23 -424.615742 0.501101 BFGS: 80 16:44:24 -424.698197 0.486321 BFGS: 81 16:44:24 -424.778464 0.471591 BFGS: 82 16:44:25 -424.856549 0.456916 BFGS: 83 16:44:25 -424.932457 0.442296 BFGS: 84 16:44:26 -425.006191 0.427730 BFGS: 85 16:44:27 -425.077758 0.413224 BFGS: 86 16:44:27 -425.147165 0.398779 BFGS: 87 16:44:27 -425.214416 0.384394 BFGS: 88 16:44:28 -425.279521 0.370076 BFGS: 89 16:44:29 -425.342485 0.355821 BFGS: 90 16:44:30 -425.403317 0.341637 BFGS: 91 16:44:31 -425.462025 0.327525 BFGS: 92 16:44:32 -425.518619 0.313489 BFGS: 93 16:44:33 -425.573111 0.299534 BFGS: 94 16:44:34 -425.625511 0.285665 BFGS: 95 16:44:34 -425.675833 0.271883 BFGS: 96 16:44:35 -425.724090 0.258192 BFGS: 97 16:44:35 -425.770296 0.244593 BFGS: 98 16:44:36 -425.814465 0.231087 BFGS: 99 16:44:37 -425.856612 0.217685 BFGS: 100 16:44:37 -425.896753 0.204387 BFGS: 101 16:44:38 -425.934905 0.191201 BFGS: 102 16:44:39 -425.971087 0.178132 BFGS: 103 16:44:39 -426.005317 0.165187 BFGS: 104 16:44:40 -426.037619 0.152371 BFGS: 105 16:44:40 -426.068014 0.139690 BFGS: 106 16:44:41 -426.096529 0.127155 BFGS: 107 16:44:42 -426.123189 0.115355 BFGS: 108 16:44:42 -426.148026 0.111600 BFGS: 109 16:44:43 -426.171072 0.107899 BFGS: 110 16:44:43 -426.192363 0.104247 BFGS: 111 16:44:44 -426.211936 0.100620 BFGS: 112 16:44:44 -426.229816 0.096709 BFGS: 113 16:44:45 -426.245992 0.092257 BFGS: 114 16:44:45 -426.260440 0.087228 BFGS: 115 16:44:45 -426.273137 0.081567 BFGS: 116 16:44:46 -426.284052 0.075197 BFGS: 117 16:44:47 -426.293158 0.067993 BFGS: 118 16:44:48 -426.300427 0.059751 BFGS: 119 16:44:48 -426.305851 0.050078 BFGS: 120 16:44:49 -426.309502 0.037974 BFGS: 121 16:44:50 -426.311451 0.035237 BFGS: 122 16:44:50 -426.314095 0.034290 BFGS: 123 16:44:51 -426.318274 0.023807 BFGS: 124 16:44:52 -426.320794 0.008700 BFGS: 125 16:44:52 -426.321425 0.004481 BFGS: 126 16:44:53 -426.321470 0.001945 BFGS: 127 16:44:53 -426.321474 0.001448 BFGS: 128 16:44:54 -426.321477 0.001016 BFGS: 129 16:44:55 -426.321479 0.000363 BFGS: 130 16:44:55 -426.321480 0.000109 BFGS: 131 16:44:56 -426.321480 0.000024 BFGS: 132 16:44:56 -426.321480 0.000002 BFGS: 133 16:44:56 -426.321480 0.000000 BFGS: 134 16:44:57 -426.321480 0.000000 Minimization converged after 134 steps. Maximum force component: 8.969160816296571e-10 eV/Angstrom Maximum stress component: 2.196250595046852e-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 0.00000000e+00 2.15864216e-33] [5.00000000e-01 1.67732062e-33 5.00000000e-01] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [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 0.00000000e+00] [5.00000000e-01 0.00000000e+00 2.99320740e-33] [0.00000000e+00 0.00000000e+00 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 0.00000000e+00 2.50000000e-01] [7.55354084e-01 2.91595738e-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 0.00000000e+00] [7.50000000e-01 7.55354084e-01 1.03219730e-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] [6.25670336e-32 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 0.00000000e+00] [7.50000000e-01 5.35408434e-03 5.00000000e-01] [2.50000000e-01 5.05354084e-01 1.67732062e-33] [2.50000000e-01 4.94645916e-01 5.00000000e-01] [4.94645916e-01 5.00000000e-01 2.50000000e-01] [5.05354084e-01 0.00000000e+00 2.50000000e-01] [5.35408434e-03 5.00000000e-01 7.50000000e-01] [9.94645916e-01 0.00000000e+00 7.50000000e-01] [2.51656026e-32 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 2.03858967e-32 7.50000000e-01] [2.44645916e-01 0.00000000e+00 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 0.00000000e+00] [2.50000000e-01 2.44645916e-01 0.00000000e+00] [7.50000000e-01 7.44645916e-01 5.00000000e-01] [2.50000000e-01 7.55354084e-01 5.00000000e-01] [2.24306578e-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 2.32244393e-33] [2.50000000e-01 9.94645916e-01 5.00000000e-01] [2.50000000e-01 5.35408434e-03 1.00800518e-34] [5.35408434e-03 3.80622755e-33 2.50000000e-01] [9.94645916e-01 5.00000000e-01 2.50000000e-01] [4.94645916e-01 6.45123314e-33 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] [1.30546779e-32 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, -1.3216080630477396e-31, 8.812716144456213e-32], [-7.79449204215951e-32, 11.941468569923908, -2.5259513594892567e-17], [-1.770723438529636e-32, -2.525951359489254e-17, 11.941468569923908]]) forces = [[ 4.41569892e-31 -1.96253286e-31 4.15130057e-49] [-1.17751971e-30 3.92506571e-31 6.62354839e-31] [ 2.94379928e-31 -3.67974910e-31 7.11418160e-31] [-8.83139785e-31 -1.69268459e-30 5.88759857e-31] [ 7.85013142e-31 7.85013142e-31 -2.45316607e-31] [-5.88759857e-31 -5.15164875e-31 -9.81266428e-32] [ 1.05486141e-30 1.24539017e-48 -5.88759857e-31] [ 6.86886499e-31 -1.71721625e-30 1.96253286e-30] [ 2.94379928e-31 -2.45316607e-31 -3.43443250e-31] [-2.56198752e-63 3.92506571e-31 -8.30260115e-49] [-1.47189964e-31 -6.20957661e-31 -1.35844071e-30] [-1.47189964e-31 -7.85013142e-31 -1.37377300e-30] [-1.47189964e-31 9.32203106e-31 6.86886499e-31] [-1.57002628e-30 -1.96253286e-31 -6.37823178e-31] [-9.81266428e-31 -3.92506571e-31 1.17751971e-30] [ 1.96253286e-31 5.51962366e-31 -1.42283632e-30] [-8.96916082e-10 4.90633214e-31 2.94379928e-31] [ 8.96916082e-10 -7.85013142e-31 7.85013142e-31] [ 8.96916082e-10 -9.92651453e-42 3.43443250e-31] [-8.96916082e-10 -5.64228196e-31 1.96253286e-31] [ 1.47189964e-31 -8.96916082e-10 1.89771658e-27] [-8.83139785e-31 8.96916082e-10 -1.89810908e-27] [ 1.90120370e-30 8.96916082e-10 -1.89803549e-27] [ 1.71721625e-31 -8.96916082e-10 1.89758165e-27] [-2.45316607e-31 1.89675984e-27 -8.96916082e-10] [-3.43443250e-31 -1.89575404e-27 8.96916082e-10] [-3.92506571e-31 -1.89614655e-27 8.96916082e-10] [-1.96253286e-31 1.89653906e-27 -8.96916082e-10] [ 9.32203106e-31 -8.96916082e-10 1.89683344e-27] [ 4.04772401e-31 8.96916082e-10 -1.89707875e-27] [ 2.69464960e-31 8.96916082e-10 -1.89810908e-27] [ 4.17038232e-31 -8.96916082e-10 1.89771658e-27] [-8.96916082e-10 3.43443250e-31 1.28177927e-30] [ 8.96916082e-10 -7.85013142e-31 1.47189964e-31] [ 8.96916082e-10 -4.90633214e-32 9.07671446e-31] [-8.96916082e-10 -1.96253286e-30 1.79081123e-30] [-7.35949821e-31 -1.89710328e-27 8.96916082e-10] [-1.22658303e-30 1.89774417e-27 -8.96916082e-10] [-1.96253286e-30 1.89906582e-27 -8.96916082e-10] [ 1.47189964e-30 -1.89624468e-27 8.96916082e-10] [ 8.96916082e-10 9.81266428e-32 -1.96253286e-31] [-8.96916082e-10 1.96253286e-31 -2.94379928e-31] [-8.96916082e-10 -8.46342294e-31 1.53322879e-32] [ 8.96916082e-10 1.03032975e-30 3.55709080e-31] [-1.96253286e-31 8.96916082e-10 -1.89752032e-27] [-1.96253286e-31 -8.96916082e-10 1.89830534e-27] [-3.80240741e-31 -8.96916082e-10 1.89802322e-27] [ 3.37310335e-31 8.96916082e-10 -1.89702969e-27] [-3.43443250e-31 -1.89711555e-27 8.96916082e-10] [-2.20784946e-31 1.89729034e-27 -8.96916082e-10] [-1.17751971e-30 1.89712782e-27 -8.96916082e-10] [ 6.37823178e-31 -1.89673531e-27 8.96916082e-10] [ 6.09458445e-32 8.96916082e-10 -1.89695609e-27] [-1.17751971e-30 -8.96916082e-10 1.89761845e-27] [-1.96253286e-31 -8.96916082e-10 1.89673531e-27] [-1.07939307e-30 8.96916082e-10 -1.89722594e-27] [ 8.96916082e-10 -3.92506571e-31 -2.94379928e-31] [-8.96916082e-10 -1.59455794e-31 6.05050413e-31] [-8.96916082e-10 -9.81266428e-32 -8.83139785e-31] [ 8.96916082e-10 2.94379928e-31 4.17038232e-31] [-9.81266428e-32 1.89771658e-27 -8.96916082e-10] [-4.90633214e-32 -1.89715235e-27 8.96916082e-10] [ 2.94379928e-31 -1.89639187e-27 8.96916082e-10] [-2.45316607e-31 1.89636427e-27 -8.96916082e-10] [ 6.59288381e-32 -3.26876427e-10 3.26876427e-10] [-4.90633214e-32 3.26876427e-10 3.26876427e-10] [-9.81266428e-32 -3.26876427e-10 -3.26876427e-10] [ 9.81266428e-32 3.26876427e-10 -3.26876427e-10] [ 3.26876427e-10 6.91385119e-28 -3.26876427e-10] [ 3.26876427e-10 -6.91339506e-28 3.26876427e-10] [-3.26876427e-10 6.91434183e-28 -3.26876427e-10] [-3.26876427e-10 -6.91581373e-28 3.26876427e-10] [-3.26876427e-10 3.26876427e-10 -6.91483246e-28] [ 3.26876427e-10 3.26876427e-10 -6.91434183e-28] [-3.26876427e-10 -3.26876427e-10 6.91434183e-28] [ 3.26876427e-10 -3.26876427e-10 6.91290059e-28] [-3.26876427e-10 6.91360588e-28 -3.26876427e-10] [ 3.26876427e-10 6.91286993e-28 -3.26876427e-10] [-3.26876427e-10 -6.91428050e-28 3.26876427e-10] [ 3.26876427e-10 -6.91434183e-28 3.26876427e-10] [-8.58608124e-32 3.26876427e-10 3.26876427e-10] [ 4.90633214e-32 3.26876427e-10 -3.26876427e-10] [ 4.90633214e-32 -3.26876427e-10 3.26876427e-10] [-3.06645758e-33 -3.26876427e-10 -3.26876427e-10] [ 3.26876427e-10 -3.26876427e-10 6.91434183e-28] [ 3.26876427e-10 3.26876427e-10 -6.91529243e-28] [-3.26876427e-10 -3.26876427e-10 6.91397385e-28] [-3.26876427e-10 3.26876427e-10 -6.91483246e-28] [-2.69848268e-31 3.26876427e-10 -3.26876427e-10] [ 1.34924134e-31 -3.26876427e-10 -3.26876427e-10] [-5.88759857e-31 3.26876427e-10 3.26876427e-10] [ 9.81266428e-32 -3.26876427e-10 3.26876427e-10] [-3.26876427e-10 -6.91630436e-28 3.26876427e-10] [-3.26876427e-10 6.91041676e-28 -3.26876427e-10] [ 3.26876427e-10 -6.91286993e-28 3.26876427e-10] [ 3.26876427e-10 6.91578306e-28 -3.26876427e-10] [ 3.26876427e-10 -3.26876427e-10 6.90649170e-28] [-3.26876427e-10 -3.26876427e-10 6.91296192e-28] [ 3.26876427e-10 3.26876427e-10 -6.91544575e-28] [-3.26876427e-10 3.26876427e-10 -6.91286993e-28] [ 3.18911589e-31 3.26876427e-10 -3.26876427e-10] [ 3.00512843e-31 -3.26876427e-10 -3.26876427e-10] [ 2.57582437e-31 3.26876427e-10 3.26876427e-10] [ 4.90633214e-32 -3.26876427e-10 3.26876427e-10] [-3.26876427e-10 -6.91410226e-28 3.26876427e-10] [-3.26876427e-10 6.91556841e-28 -3.26876427e-10] [ 3.26876427e-10 -6.90673701e-28 3.26876427e-10] [ 3.26876427e-10 6.91750028e-28 -3.26876427e-10] [ 3.26876427e-10 -3.26876427e-10 6.91802158e-28] [-3.26876427e-10 -3.26876427e-10 6.91366721e-28] [ 3.26876427e-10 3.26876427e-10 -6.91452198e-28] [-3.26876427e-10 3.26876427e-10 -6.91802158e-28]] stress = [-2.19625060e-11 -2.19625060e-11 -2.19625060e-11 -6.02870416e-27 -1.44063423e-35 -2.19733548e-51] 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