element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8545']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 01:07:33      -69.260672        0.8388
BFGS:    1 01:07:33      -69.290439        0.8172
BFGS:    2 01:07:33      -69.406023        0.7227
BFGS:    3 01:07:33      -69.506884        0.6209
BFGS:    4 01:07:33      -69.591943        0.5120
BFGS:    5 01:07:33      -69.660325        0.3994
BFGS:    6 01:07:33      -69.711574        0.2826
BFGS:    7 01:07:33      -69.744677        0.1573
BFGS:    8 01:07:33      -69.758343        0.0235
BFGS:    9 01:07:33      -69.758640        0.0009
BFGS:   10 01:07:33      -69.758641        0.0000
BFGS:   11 01:07:33      -69.758641        0.0000
Minimization converged after 11 steps.
Maximum force component: 4.268047146506342e-31 eV/Angstrom
Maximum stress component: 7.646739862923065e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.69409842e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.03985726e-50 5.00000000e-01 0.00000000e+00]
 [4.21568493e-70 2.69409842e-34 5.00000000e-01]]
cellpar =  Cell([[5.718959429905397, -4.340729886787068e-33, -2.8114458328872747e-32], [-8.948942216292882e-36, 5.718959429905397, -1.793884612722051e-17], [-3.210520103148771e-32, -1.793884612722047e-17, 5.718959429905397]])
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]
 [ 1.17486029e-31  1.29234632e-31  1.73291893e-31]
 [ 2.08537701e-31  1.67417591e-31  1.29234632e-31]
 [-1.10143152e-32  3.52458087e-32  3.23086580e-32]
 [ 1.11611728e-31 -5.87430145e-33  4.69944116e-32]
 [-3.64206690e-31 -1.29234632e-31 -4.11201101e-32]
 [-3.14137449e-32 -4.40572609e-32  1.40983235e-31]
 [ 7.04916174e-32 -1.76229043e-32 -1.20790324e-31]
 [-4.26804715e-31 -1.46857536e-31  2.13677715e-31]
 [ 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]]
stress =  [ 7.64673986e-11  7.64673986e-11  7.64673986e-11  2.26376564e-29
 -4.39676464e-34 -2.54545238e-51]
energy per atom =  -4.359915046127008
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0