element(s):
['Cu', 'Pt']
AFLOW prototype label:
AB_hR2_166_a_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7273125', '4.7092655']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.  0.5]]
spacegroup =  166
cell =  [[2.7273, 0, 0], [-1.36365, 2.3619110837413, 0], [0, 0, 12.8436]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:23:56      -28.883930         1.245243
BFGS:    1 13:23:56      -28.934927         1.130434
BFGS:    2 13:23:57      -29.049444         0.795821
BFGS:    3 13:23:57      -29.120648         0.446583
BFGS:    4 13:23:57      -29.147785         0.130754
BFGS:    5 13:23:57      -29.148491         0.158842
BFGS:    6 13:23:57      -29.149311         0.168521
BFGS:    7 13:23:57      -29.151499         0.156480
BFGS:    8 13:23:57      -29.153574         0.101226
BFGS:    9 13:23:57      -29.154761         0.035631
BFGS:   10 13:23:57      -29.154964         0.007418
BFGS:   11 13:23:57      -29.154974         0.000532
BFGS:   12 13:23:57      -29.154974         0.000065
BFGS:   13 13:23:57      -29.154974         0.000002
BFGS:   14 13:23:57      -29.154974         0.000000
BFGS:   15 13:23:57      -29.154974         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.49801345583341e-31 eV/Angstrom
Maximum stress component: 1.2263395106246136e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt', 'Pt', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.66666667 0.33333333 0.33333333]
 [0.33333333 0.66666667 0.66666667]
 [1.         1.         0.5       ]
 [0.66666667 0.33333333 0.83333333]
 [0.33333333 0.66666667 0.16666667]]
cellpar =  Cell([[2.6362260318848336, -3.8734499329789306e-18, -2.1660572922547828e-32], [-1.3181130159424168, 2.283038713730111, -4.3681619544234273e-32], [-1.0719895780803192e-31, -3.6767123492857384e-31, 12.770665507853698]])
forces =  [[-2.93628704e-63 -1.00708841e-62  3.49801346e-31]
 [-5.64131851e-34  8.28888135e-52  3.49801346e-31]
 [-2.93628704e-63 -1.00708841e-62  3.49801346e-31]
 [ 3.01810540e-33 -9.38020826e-33 -2.18625841e-33]
 [ 9.02610961e-33 -3.12673609e-33  6.34014939e-32]
 [ 3.61044384e-33 -6.25347217e-33  1.19648340e-64]]
stress =  [ 1.16325814e-11  1.16325814e-11 -1.22633951e-11 -1.87893428e-34
 -3.25440692e-34  5.11767503e-27]
energy per atom =  -4.859162347567179
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0