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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 17:16:25 -84.172570 2.3172
BFGS: 1 17:16:25 -84.403383 2.3310
BFGS: 2 17:16:25 -84.754491 2.3500
BFGS: 3 17:16:25 -85.108291 2.3670
BFGS: 4 17:16:26 -85.464493 2.3821
BFGS: 5 17:16:26 -85.822821 2.3953
BFGS: 6 17:16:26 -86.182989 2.4066
BFGS: 7 17:16:26 -86.544708 2.4160
BFGS: 8 17:16:26 -86.907687 2.4234
BFGS: 9 17:16:26 -87.271626 2.4288
BFGS: 10 17:16:26 -87.636221 2.4322
BFGS: 11 17:16:26 -88.001161 2.4334
BFGS: 12 17:16:26 -88.366124 2.4324
BFGS: 13 17:16:26 -88.730779 2.4292
BFGS: 14 17:16:27 -89.094783 2.4237
BFGS: 15 17:16:27 -89.457781 2.4158
BFGS: 16 17:16:27 -89.819400 2.4054
BFGS: 17 17:16:27 -90.179253 2.3923
BFGS: 18 17:16:27 -90.536938 2.3764
BFGS: 19 17:16:27 -90.892048 2.3579
BFGS: 20 17:16:27 -91.244162 2.3364
BFGS: 21 17:16:27 -91.592701 2.3097
BFGS: 22 17:16:27 -91.936770 2.2768
BFGS: 23 17:16:27 -92.275406 2.2373
BFGS: 24 17:16:28 -92.607600 2.1908
BFGS: 25 17:16:28 -92.932265 2.1366
BFGS: 26 17:16:28 -93.248161 2.0739
BFGS: 27 17:16:28 -93.553989 2.0024
BFGS: 28 17:16:28 -93.848430 1.9220
BFGS: 29 17:16:29 -94.130157 1.8328
BFGS: 30 17:16:29 -94.397834 1.7347
BFGS: 31 17:16:29 -94.650127 1.6277
BFGS: 32 17:16:29 -94.885701 1.5118
BFGS: 33 17:16:29 -95.103237 1.3872
BFGS: 34 17:16:29 -95.301426 1.2539
BFGS: 35 17:16:29 -95.478955 1.1117
BFGS: 36 17:16:29 -95.634493 0.9607
BFGS: 37 17:16:30 -95.766747 0.8013
BFGS: 38 17:16:30 -95.874470 0.6337
BFGS: 39 17:16:30 -95.956469 0.4583
BFGS: 40 17:16:31 -96.011572 0.2751
BFGS: 41 17:16:31 -96.038621 0.0843
BFGS: 42 17:16:31 -96.041349 0.0022
BFGS: 43 17:16:31 -96.041351 0.0000
BFGS: 44 17:16:32 -96.041351 0.0000
Minimization converged after 44 steps.
Maximum force component: 1.2337268111478634e-30 eV/Angstrom
Maximum stress component: 1.6242060188744723e-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 = [[0.00000000e+00 1.69755719e-33 4.14047409e-33]
[0.00000000e+00 5.00000000e-01 5.00000000e-01]
[5.00000000e-01 5.00000000e-01 1.14808414e-34]
[5.00000000e-01 8.15139742e-33 5.00000000e-01]
[7.50000000e-01 2.50000000e-01 7.50000000e-01]
[2.50000000e-01 2.50000000e-01 2.50000000e-01]
[2.50000000e-01 7.50000000e-01 7.50000000e-01]
[7.50000000e-01 7.50000000e-01 2.50000000e-01]
[6.25000000e-01 6.25000000e-01 6.25000000e-01]
[3.75000000e-01 8.75000000e-01 1.25000000e-01]
[8.75000000e-01 1.25000000e-01 3.75000000e-01]
[1.25000000e-01 3.75000000e-01 8.75000000e-01]
[8.75000000e-01 3.75000000e-01 1.25000000e-01]
[3.75000000e-01 1.25000000e-01 8.75000000e-01]
[1.25000000e-01 8.75000000e-01 3.75000000e-01]
[6.25000000e-01 1.25000000e-01 1.25000000e-01]
[3.75000000e-01 3.75000000e-01 6.25000000e-01]
[8.75000000e-01 6.25000000e-01 8.75000000e-01]
[8.75000000e-01 8.75000000e-01 6.25000000e-01]
[3.75000000e-01 6.25000000e-01 3.75000000e-01]
[1.25000000e-01 6.25000000e-01 1.25000000e-01]
[6.25000000e-01 3.75000000e-01 3.75000000e-01]
[6.25000000e-01 8.75000000e-01 8.75000000e-01]
[1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar = Cell([[6.710065480949625, -6.609343755774993e-33, 2.3873968560463466e-33], [-1.3042912361867392e-32, 6.710065480949625, 1.2283352012958716e-17], [-6.841190155604149e-33, 1.228335201295871e-17, 6.710065480949625]])
forces = [[ 2.06769857e-32 -3.44616428e-33 2.75693142e-32]
[-1.72308214e-33 -4.04924303e-32 -2.41231499e-32]
[-8.61541069e-33 -1.03384928e-32 -2.58462321e-32]
[-1.03384928e-32 -5.16924642e-33 1.20615750e-32]
[-2.75693142e-32 -1.89539035e-32 -1.29231160e-32]
[ 2.06769857e-32 4.82462999e-32 8.61541069e-33]
[-4.24308977e-32 3.53231838e-32 -3.01539374e-32]
[ 2.24000678e-32 2.06769857e-32 -2.75693142e-32]
[ 2.34339171e-31 -2.61908485e-31 8.96002712e-32]
[ 2.61908485e-31 7.58156141e-31 -9.64925998e-32]
[-2.41231499e-31 -1.68431279e-31 -3.08327943e-49]
[ 2.82154700e-31 3.58401085e-31 6.89232855e-32]
[-1.58523557e-31 -8.54648741e-31 2.61908485e-31]
[-2.75693142e-32 -2.55016156e-31 -1.51631228e-31]
[-1.37846571e-32 -8.27079426e-31 -2.34339171e-31]
[ 1.92985200e-31 -1.10277257e-31 5.51386284e-32]
[ 4.13539713e-32 4.96247656e-31 -1.23200373e-31]
[-3.75631906e-31 -3.72185742e-31 -1.92985200e-31]
[ 2.61908485e-31 -1.23372681e-30 -5.51386284e-32]
[-2.20554514e-31 -2.48123828e-31 -3.44616428e-32]
[ 2.99816292e-31 -5.51386284e-32 -1.00936002e-49]
[ 5.23816970e-31 -1.37846571e-31 3.03262456e-31]
[ 4.13539713e-31 5.37601627e-31 3.99755056e-31]
[ 1.99877528e-31 -1.61108180e-31 -9.64925998e-32]]
stress = [ 1.62420602e-10 1.62420602e-10 1.62420602e-10 1.88087476e-27
-7.49318032e-59 -6.08629244e-60]
energy per atom = -4.0017229568800365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0