element(s):
['Co', 'Fe']
AFLOW prototype label:
A3B13_tP16_123_abc_defr
Parameter names:
['a', 'c/a', 'x7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8815', '1.0369974', '0.24406433', '0.24609539']
model name:
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
==== Building ASE atoms object with: ====
representative atom symbols = ['Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe']
representative atom coordinates = [[0. 0. 0. ]
[0. 0. 0.5 ]
[0.5 0.5 0. ]
[0.5 0.5 0.5 ]
[0. 0.5 0.5 ]
[0. 0.5 0. ]
[0.24406433 0.24406433 0.24609539]]
spacegroup = 123
cell = [[5.8815, 0, 0], [0, 5.8815, 0], [0, 0, 6.0991]]
=========================================
Step Time Energy fmax
BFGS: 0 17:00:29 -67.464227 1.5691
BFGS: 1 17:00:29 -67.567704 1.5116
BFGS: 2 17:00:29 -67.784193 1.3837
BFGS: 3 17:00:29 -67.981110 1.2579
BFGS: 4 17:00:29 -68.158627 1.1332
BFGS: 5 17:00:29 -68.316654 1.0081
BFGS: 6 17:00:29 -68.454896 0.8823
BFGS: 7 17:00:29 -68.573028 0.7553
BFGS: 8 17:00:29 -68.670704 0.6262
BFGS: 9 17:00:30 -68.747642 0.4950
BFGS: 10 17:00:30 -68.803956 0.3628
BFGS: 11 17:00:30 -68.840421 0.2323
BFGS: 12 17:00:30 -68.858732 0.1320
BFGS: 13 17:00:30 -68.863483 0.1361
BFGS: 14 17:00:30 -68.867327 0.1184
BFGS: 15 17:00:30 -68.873377 0.1064
BFGS: 16 17:00:30 -68.875799 0.0937
BFGS: 17 17:00:30 -68.876553 0.0689
BFGS: 18 17:00:30 -68.876683 0.0610
BFGS: 19 17:00:30 -68.876934 0.0520
BFGS: 20 17:00:30 -68.877663 0.0574
BFGS: 21 17:00:30 -68.879750 0.0924
BFGS: 22 17:00:30 -68.882334 0.1205
BFGS: 23 17:00:30 -68.885211 0.1467
BFGS: 24 17:00:30 -68.889091 0.1691
BFGS: 25 17:00:30 -68.894624 0.1868
BFGS: 26 17:00:30 -68.902127 0.2001
BFGS: 27 17:00:30 -68.911674 0.2101
BFGS: 28 17:00:31 -68.923205 0.2176
BFGS: 29 17:00:31 -68.936617 0.2234
BFGS: 30 17:00:31 -68.951824 0.2278
BFGS: 31 17:00:31 -68.968732 0.2309
BFGS: 32 17:00:31 -68.987240 0.2332
BFGS: 33 17:00:31 -69.007245 0.2350
BFGS: 34 17:00:31 -69.028664 0.2366
BFGS: 35 17:00:31 -69.051432 0.2447
BFGS: 36 17:00:32 -69.075500 0.2690
BFGS: 37 17:00:32 -69.100833 0.2926
BFGS: 38 17:00:32 -69.127408 0.3154
BFGS: 39 17:00:32 -69.155183 0.3371
BFGS: 40 17:00:32 -69.184096 0.3576
BFGS: 41 17:00:32 -69.214068 0.3769
BFGS: 42 17:00:32 -69.245022 0.3950
BFGS: 43 17:00:32 -69.276885 0.4118
BFGS: 44 17:00:32 -69.309607 0.4281
BFGS: 45 17:00:32 -69.343155 0.4437
BFGS: 46 17:00:33 -69.377490 0.4583
BFGS: 47 17:00:33 -69.412571 0.4717
BFGS: 48 17:00:33 -69.448343 0.4834
BFGS: 49 17:00:33 -69.484756 0.4935
BFGS: 50 17:00:33 -69.521750 0.5015
BFGS: 51 17:00:33 -69.559252 0.5069
BFGS: 52 17:00:33 -69.597165 0.5092
BFGS: 53 17:00:33 -69.635378 0.5082
BFGS: 54 17:00:33 -69.673769 0.5038
BFGS: 55 17:00:33 -69.712198 0.4956
BFGS: 56 17:00:34 -69.750535 0.4837
BFGS: 57 17:00:34 -69.788646 0.4681
BFGS: 58 17:00:34 -69.826389 0.4489
BFGS: 59 17:00:34 -69.863622 0.4261
BFGS: 60 17:00:35 -69.900202 0.4000
BFGS: 61 17:00:35 -69.935993 0.3711
BFGS: 62 17:00:35 -69.970860 0.3397
BFGS: 63 17:00:35 -70.004679 0.3065
BFGS: 64 17:00:35 -70.037334 0.2984
BFGS: 65 17:00:35 -70.068713 0.2932
BFGS: 66 17:00:36 -70.098699 0.2860
BFGS: 67 17:00:36 -70.127170 0.2768
BFGS: 68 17:00:36 -70.154008 0.2654
BFGS: 69 17:00:36 -70.179095 0.2517
BFGS: 70 17:00:36 -70.202310 0.2357
BFGS: 71 17:00:36 -70.223545 0.2178
BFGS: 72 17:00:36 -70.242749 0.1987
BFGS: 73 17:00:36 -70.259895 0.1783
BFGS: 74 17:00:37 -70.275024 0.1580
BFGS: 75 17:00:37 -70.288259 0.1380
BFGS: 76 17:00:37 -70.299689 0.1181
BFGS: 77 17:00:37 -70.309391 0.0981
BFGS: 78 17:00:37 -70.317420 0.0773
BFGS: 79 17:00:37 -70.323763 0.0545
BFGS: 80 17:00:37 -70.328347 0.0290
BFGS: 81 17:00:37 -70.331087 0.0353
BFGS: 82 17:00:38 -70.332030 0.0436
BFGS: 83 17:00:38 -70.332203 0.0408
BFGS: 84 17:00:38 -70.333267 0.0157
BFGS: 85 17:00:38 -70.333482 0.0161
BFGS: 86 17:00:38 -70.333533 0.0148
BFGS: 87 17:00:38 -70.333572 0.0109
BFGS: 88 17:00:38 -70.333606 0.0042
BFGS: 89 17:00:38 -70.333615 0.0007
BFGS: 90 17:00:38 -70.333616 0.0001
BFGS: 91 17:00:38 -70.333616 0.0000
BFGS: 92 17:00:38 -70.333616 0.0000
BFGS: 93 17:00:38 -70.333616 0.0000
BFGS: 94 17:00:39 -70.333616 0.0000
Minimization converged after 94 steps.
Maximum force component: 1.7922819291519284e-09 eV/Angstrom
Maximum stress component: 1.1458193917211008e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
[7.60131711e-48 0.00000000e+00 5.00000000e-01]
[5.00000000e-01 5.00000000e-01 8.64406292e-34]
[5.00000000e-01 5.00000000e-01 5.00000000e-01]
[1.10707171e-47 5.00000000e-01 5.00000000e-01]
[5.00000000e-01 0.00000000e+00 5.00000000e-01]
[0.00000000e+00 5.00000000e-01 0.00000000e+00]
[5.00000000e-01 6.62782254e-53 0.00000000e+00]
[2.50121759e-01 2.50121759e-01 2.49815577e-01]
[7.49878241e-01 7.49878241e-01 2.49815577e-01]
[7.49878241e-01 2.50121759e-01 2.49815577e-01]
[2.50121759e-01 7.49878241e-01 2.49815577e-01]
[7.49878241e-01 2.50121759e-01 7.50184423e-01]
[2.50121759e-01 7.49878241e-01 7.50184423e-01]
[2.50121759e-01 2.50121759e-01 7.50184423e-01]
[7.49878241e-01 7.49878241e-01 7.50184423e-01]]
cellpar = Cell([[5.04080468220133, 2.7779376021235234e-36, 2.20071792274627e-31], [6.363090600117687e-36, 5.040804682201345, 1.6515807979300477e-17], [-6.075066486756853e-32, 5.360188502166104e-18, 7.12972115215143]])
forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 1.79228193e-09 1.79228193e-09 3.17578933e-10]
[-1.79228193e-09 -1.79228193e-09 3.17578933e-10]
[-1.79228193e-09 1.79228193e-09 3.17578933e-10]
[ 1.79228193e-09 -1.79228193e-09 3.17578933e-10]
[-1.79228193e-09 1.79228193e-09 -3.17578933e-10]
[ 1.79228193e-09 -1.79228193e-09 -3.17578933e-10]
[ 1.79228193e-09 1.79228193e-09 -3.17578933e-10]
[-1.79228193e-09 -1.79228193e-09 -3.17578933e-10]]
stress = [-1.14581939e-11 -1.14581939e-11 -1.05767399e-11 -4.34666942e-27
8.26591156e-44 3.44722379e-59]
energy per atom = -4.395851023544096
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0