element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3383']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols = ['Cr', 'Fe']
representative atom coordinates = [[0. 0. 0. ]
[0.625 0.625 0.625]]
spacegroup = 227
cell = [[7.3383, 0, 0], [0, 7.3383, 0], [0, 0, 7.3383]]
=========================================
Step Time Energy fmax
BFGS: 0 14:00:16 -84.172570 2.317213
BFGS: 1 14:00:17 -84.403383 2.331037
BFGS: 2 14:00:17 -84.754491 2.350041
BFGS: 3 14:00:17 -85.108291 2.366978
BFGS: 4 14:00:17 -85.464493 2.382086
BFGS: 5 14:00:17 -85.822821 2.395281
BFGS: 6 14:00:18 -86.182989 2.406593
BFGS: 7 14:00:18 -86.544708 2.415969
BFGS: 8 14:00:19 -86.907687 2.423395
BFGS: 9 14:00:19 -87.271626 2.428781
BFGS: 10 14:00:20 -87.636221 2.432162
BFGS: 11 14:00:20 -88.001161 2.433370
BFGS: 12 14:00:21 -88.366124 2.432408
BFGS: 13 14:00:21 -88.730779 2.429236
BFGS: 14 14:00:22 -89.094783 2.423730
BFGS: 15 14:00:22 -89.457781 2.415808
BFGS: 16 14:00:22 -89.819400 2.405354
BFGS: 17 14:00:23 -90.179253 2.392254
BFGS: 18 14:00:23 -90.536938 2.376443
BFGS: 19 14:00:23 -90.892048 2.357918
BFGS: 20 14:00:24 -91.244162 2.336373
BFGS: 21 14:00:25 -91.592701 2.309740
BFGS: 22 14:00:25 -91.936770 2.276750
BFGS: 23 14:00:25 -92.275406 2.237256
BFGS: 24 14:00:26 -92.607600 2.190846
BFGS: 25 14:00:26 -92.932265 2.136626
BFGS: 26 14:00:27 -93.248161 2.073861
BFGS: 27 14:00:27 -93.553989 2.002370
BFGS: 28 14:00:28 -93.848430 1.922045
BFGS: 29 14:00:28 -94.130157 1.832821
BFGS: 30 14:00:28 -94.397834 1.734707
BFGS: 31 14:00:29 -94.650127 1.627700
BFGS: 32 14:00:29 -94.885701 1.511831
BFGS: 33 14:00:30 -95.103237 1.387185
BFGS: 34 14:00:30 -95.301426 1.253901
BFGS: 35 14:00:31 -95.478955 1.111693
BFGS: 36 14:00:31 -95.634493 0.960716
BFGS: 37 14:00:32 -95.766747 0.801270
BFGS: 38 14:00:32 -95.874470 0.633695
BFGS: 39 14:00:32 -95.956469 0.458316
BFGS: 40 14:00:33 -96.011572 0.275108
BFGS: 41 14:00:33 -96.038621 0.084320
BFGS: 42 14:00:33 -96.041349 0.002174
BFGS: 43 14:00:33 -96.041351 0.000013
BFGS: 44 14:00:33 -96.041351 0.000000
Minimization converged after 44 steps.
Maximum force component: 2.205545137248613e-31 eV/Angstrom
Maximum stress component: 1.6242088472188144e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis = [[0. 0. 0. ]
[0. 0.5 0.5 ]
[0.5 0.5 0. ]
[0.5 0. 0.5 ]
[0.75 0.25 0.75 ]
[0.25 0.25 0.25 ]
[0.25 0.75 0.75 ]
[0.75 0.75 0.25 ]
[0.625 0.625 0.625]
[0.375 0.875 0.125]
[0.875 0.125 0.375]
[0.125 0.375 0.875]
[0.875 0.375 0.125]
[0.375 0.125 0.875]
[0.125 0.875 0.375]
[0.625 0.125 0.125]
[0.375 0.375 0.625]
[0.875 0.625 0.875]
[0.875 0.875 0.625]
[0.375 0.625 0.375]
[0.125 0.625 0.125]
[0.625 0.375 0.375]
[0.625 0.875 0.875]
[0.125 0.125 0.625]]
cellpar = Cell([[6.710065480952777, -1.3530910855376843e-32, 3.8911836081871744e-33], [6.81934002533505e-33, 6.710065480952777, -6.115495833585887e-17], [1.5149139019386832e-32, -6.115495833585888e-17, 6.710065480952777]])
forces = [[ 3.61847249e-32 1.72308214e-33 -2.06769857e-32]
[ 2.58462321e-32 -1.20615750e-31 -7.06463677e-32]
[-4.13539713e-32 4.65232177e-32 1.55077392e-32]
[-6.89232855e-33 6.54771213e-32 -1.08554175e-31]
[-3.44616428e-32 1.24061914e-31 6.20309570e-32]
[-1.03384928e-31 -1.51631228e-31 -2.06769857e-32]
[ 1.37846571e-32 -9.64925998e-32 4.13539713e-32]
[-5.51386284e-32 1.30954243e-31 -6.89232855e-33]
[-3.05006644e-64 -5.51386284e-32 -1.10277257e-31]
[ 5.51386284e-32 -1.10277257e-31 5.51386284e-32]
[ 8.27079426e-32 1.37846571e-31 1.65415885e-31]
[ 1.10277257e-31 1.10277257e-31 -5.51386284e-32]
[ 5.51386284e-32 5.51386284e-32 -5.02528706e-49]
[ 5.51386284e-32 -1.00505741e-48 1.10277257e-31]
[ 2.18123371e-65 8.27079426e-32 -2.75693142e-32]
[-5.60365703e-65 -5.51386284e-32 5.02528706e-49]
[ 1.65415885e-31 5.51386284e-32 -5.51386284e-32]
[ 1.80521607e-64 5.51386284e-32 5.51386284e-32]
[-2.75693142e-32 -1.25632177e-48 1.37846571e-31]
[ 5.51386284e-32 1.10277257e-31 -5.51386284e-32]
[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[-5.51386284e-32 -5.51386284e-32 -5.51386284e-32]
[ 2.20554514e-31 -5.02528706e-49 5.51386284e-32]
[-1.58709270e-64 2.75693142e-32 -8.27079426e-32]]
stress = [ 1.62420885e-10 1.62420885e-10 1.62420885e-10 2.68591746e-26
0.00000000e+00 -4.56674267e-59]
energy per atom = -4.001722956883844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0