element(s):
['Cr', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5911']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5911, 0, 0], [0, 6.5911, 0], [0, 0, 6.5911]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:52:11      -90.166795         1.071880
BFGS:    1 16:52:11      -90.215538         1.050289
BFGS:    2 16:52:12      -90.367833         0.980378
BFGS:    3 16:52:12      -90.509662         0.910715
BFGS:    4 16:52:13      -90.641056         0.841233
BFGS:    5 16:52:13      -90.762041         0.771917
BFGS:    6 16:52:14      -90.872639         0.702755
BFGS:    7 16:52:14      -90.972874         0.633735
BFGS:    8 16:52:15      -91.062766         0.564846
BFGS:    9 16:52:15      -91.142331         0.496000
BFGS:   10 16:52:16      -91.211560         0.427042
BFGS:   11 16:52:16      -91.270437         0.357957
BFGS:   12 16:52:16      -91.318941         0.288737
BFGS:   13 16:52:17      -91.357054         0.219501
BFGS:   14 16:52:17      -91.384842         0.151190
BFGS:   15 16:52:18      -91.402466         0.083983
BFGS:   16 16:52:18      -91.410091         0.017874
BFGS:   17 16:52:19      -91.410457         0.000187
BFGS:   18 16:52:19      -91.410457         0.000000
BFGS:   19 16:52:19      -91.410457         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.95716408914686e-31 eV/Angstrom
Maximum stress component: 6.945154796906884e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.28172084e-33 0.00000000e+00]
 [8.93632311e-34 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 6.79237623e-34]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.805029208737333, 1.3556875822928102e-33, -2.8708185869912734e-32], [6.78607736326958e-34, 6.805029208737333, -7.624551431094353e-18], [-6.375861466045217e-33, -7.624551431094365e-18, 6.805029208737333]])
forces =  [[-1.67756922e-31  5.59189740e-32  1.11837948e-31]
 [ 2.79594870e-32  5.59189740e-32 -9.78582045e-32]
 [ 5.71259806e-65 -8.38784610e-32 -6.98987175e-32]
 [ 1.11837948e-31 -1.39797435e-32  8.38784610e-32]
 [ 1.39797435e-32  8.38784610e-32  4.19392305e-32]
 [-2.79594870e-32  1.39797435e-32  1.67756922e-31]
 [-4.40278873e-65  8.38784610e-32  5.59189740e-32]
 [-9.78582045e-32  5.59189740e-32  6.98987175e-32]
 [ 1.39797435e-31  6.98987175e-32  4.19392305e-32]
 [-6.98987175e-32 -2.19286322e-49  1.95716409e-31]
 [-9.78582045e-32  2.79594870e-32 -8.38784610e-32]
 [ 9.64202607e-65 -8.38784610e-32 -1.11837948e-31]
 [-1.11837948e-31  5.59189740e-32  4.19392305e-32]
 [ 1.67756922e-31 -6.98987175e-32 -4.19392305e-32]
 [-1.11837948e-31 -8.38784610e-32  8.38784610e-32]
 [-5.59189740e-32  5.59189740e-32  1.11837948e-31]
 [ 1.22322756e-32 -2.44645511e-32  9.61107365e-33]
 [ 1.92221473e-32 -2.79594870e-32  2.62120191e-33]
 [-3.49493587e-33 -5.94139098e-32 -1.57272114e-32]
 [ 4.54341664e-32  8.91208648e-32 -2.53382851e-32]
 [-3.49493587e-33 -7.12639268e-32 -2.44645511e-32]
 [ 3.32018908e-32  7.68885892e-32 -2.00958813e-32]
 [ 2.61961867e-65  3.13266174e-50 -2.79594870e-32]
 [ 2.89115106e-65 -3.84442946e-32 -3.49493587e-32]]
stress =  [-6.94515480e-13 -6.94515480e-13 -6.94515480e-13 -1.60938643e-28
 -1.62365076e-61  3.55513788e-62]
energy per atom =  -3.8087690593336685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0