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:
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_002
==== 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 12:22:31      -28.546710         0.092681
BFGS:    1 12:22:31      -28.546866         0.090642
BFGS:    2 12:22:31      -28.549938         0.014517
BFGS:    3 12:22:31      -28.549955         0.012088
BFGS:    4 12:22:31      -28.549962         0.011045
BFGS:    5 12:22:31      -28.549978         0.004843
BFGS:    6 12:22:31      -28.549983         0.001166
BFGS:    7 12:22:31      -28.549983         0.000268
BFGS:    8 12:22:31      -28.549983         0.000029
BFGS:    9 12:22:31      -28.549983         0.000001
BFGS:   10 12:22:31      -28.549983         0.000000
BFGS:   11 12:22:31      -28.549983         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.7756027200558845e-32 eV/Angstrom
Maximum stress component: 2.6447471046955825e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt', 'Pt', 'Pt']
basis =  [[6.84775091e-34 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.00000000e+00 1.00000000e+00 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 8.33333333e-01]
 [3.33333333e-01 6.66666667e-01 1.66666667e-01]]
cellpar =  Cell([[2.71888098425688, 1.8977229900513225e-18, -7.4248348144251766e-34], [-1.35944049212844, 2.3546200022328954, -1.5180225831775436e-33], [-3.466878370616252e-33, -6.823379389630094e-32, 12.96486059815134]])
forces =  [[-3.72364395e-33 -1.61238513e-33 -1.77560272e-32]
 [ 1.86182197e-33 -3.22477025e-33 -1.77560272e-32]
 [-1.86182197e-33 -3.22477025e-33 -1.77560272e-32]
 [ 5.58546592e-33 -3.22477025e-33  1.06213972e-66]
 [-9.30910987e-34 -4.83715538e-33  8.87801360e-33]
 [ 5.58546592e-33 -3.22477025e-33  1.06213972e-66]]
stress =  [-1.38900855e-12 -1.38900855e-12 -2.64474710e-11 -8.32830021e-42
 -2.88271826e-42 -7.01123248e-28]
energy per atom =  -4.758330531094436
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0