element(s):
['Fe', 'W']
AFLOW prototype label:
A2B_hP12_194_ah_f
Parameter names:
['a', 'c/a', 'z2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9329', '1.61848', '0.56253375', '0.16916731']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'W']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.83083269 0.66166538 0.25      ]
 [0.33333333 0.66666667 0.06253375]]
spacegroup =  194
cell =  [[4.9329, 0, 0], [-2.46645, 4.2720167143283, 0], [0, 0, 7.9838]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:52:54      -71.974498         1.868978
BFGS:    1 14:52:54      -72.121450         1.732842
BFGS:    2 14:52:54      -72.358216         1.476968
BFGS:    3 14:52:54      -72.553298         1.220214
BFGS:    4 14:52:54      -72.711186         0.963708
BFGS:    5 14:52:54      -72.833826         0.707688
BFGS:    6 14:52:54      -72.921334         0.453657
BFGS:    7 14:52:54      -72.972499         0.195793
BFGS:    8 14:52:54      -72.985794         0.057968
BFGS:    9 14:52:54      -72.986073         0.032708
BFGS:   10 14:52:54      -72.986276         0.015551
BFGS:   11 14:52:54      -72.986297         0.011621
BFGS:   12 14:52:54      -72.986333         0.011307
BFGS:   13 14:52:54      -72.986337         0.011142
BFGS:   14 14:52:54      -72.986349         0.010020
BFGS:   15 14:52:54      -72.986365         0.008935
BFGS:   16 14:52:54      -72.986385         0.008741
BFGS:   17 14:52:55      -72.986394         0.004126
BFGS:   18 14:52:55      -72.986396         0.000701
BFGS:   19 14:52:55      -72.986396         0.000052
BFGS:   20 14:52:55      -72.986396         0.000004
BFGS:   21 14:52:55      -72.986396         0.000000
BFGS:   22 14:52:55      -72.986396         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.853187840505082e-09 eV/Angstrom
Maximum stress component: 8.760243746258551e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.10523983e-54 1.51286225e-53 5.00000000e-01]
 [8.29872386e-01 6.59744773e-01 2.50000000e-01]
 [3.40255227e-01 1.70127614e-01 2.50000000e-01]
 [8.29872386e-01 1.70127614e-01 2.50000000e-01]
 [1.70127614e-01 3.40255227e-01 7.50000000e-01]
 [6.59744773e-01 8.29872386e-01 7.50000000e-01]
 [1.70127614e-01 8.29872386e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 6.31952684e-02]
 [6.66666667e-01 3.33333333e-01 5.63195268e-01]
 [6.66666667e-01 3.33333333e-01 9.36804732e-01]
 [3.33333333e-01 6.66666667e-01 4.36804732e-01]]
cellpar =  Cell([[4.7812559785020845, 1.223570215099671e-17, -2.3601313080738467e-37], [-2.3906279892510423, 4.1406891393790275, 1.7476056960329823e-37], [3.234289070571459e-38, 1.211713097763454e-37, 7.759252300045117]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.04645293e-25 -2.85318784e-09  1.59400281e-31]
 [ 2.47093315e-09  1.42659392e-09  1.91280337e-31]
 [-2.47093315e-09  1.42659392e-09  1.59400281e-31]
 [ 3.04645293e-25  2.85318784e-09 -1.27520225e-31]
 [-2.47093315e-09 -1.42659392e-09 -1.27520225e-31]
 [ 2.47093315e-09 -1.42659392e-09 -1.27520225e-31]
 [ 7.85780400e-32 -1.36101158e-31 -9.07117221e-10]
 [ 4.32179220e-31 -2.04151736e-31 -9.07117221e-10]
 [ 2.84845395e-31 -2.72202315e-31  9.07117221e-10]
 [ 1.57156080e-31  1.45680507e-47  9.07117221e-10]]
stress =  [ 8.76024375e-11  8.76024375e-11 -5.34303828e-11  6.39406002e-35
 -1.10748368e-34  1.54374668e-26]
energy per atom =  -6.082199672931303
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0