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 20:31:44      -28.546710         0.092681
BFGS:    1 20:31:44      -28.546866         0.090642
BFGS:    2 20:31:44      -28.549938         0.014517
BFGS:    3 20:31:44      -28.549955         0.012088
BFGS:    4 20:31:44      -28.549962         0.011045
BFGS:    5 20:31:44      -28.549978         0.004843
BFGS:    6 20:31:44      -28.549983         0.001166
BFGS:    7 20:31:44      -28.549983         0.000268
BFGS:    8 20:31:44      -28.549983         0.000029
BFGS:    9 20:31:44      -28.549983         0.000001
BFGS:   10 20:31:44      -28.549983         0.000000
BFGS:   11 20:31:44      -28.549983         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.3649945910429611e-31 eV/Angstrom
Maximum stress component: 2.6447421555175555e-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([[2.7188809842568804, 1.8592511652392763e-18, -7.424657650276168e-34], [-1.3594404921284402, 2.3546200022328954, -1.5179905054869549e-33], [-3.466974180553075e-33, -6.8233667401072e-32, 12.96486059815134]])
forces =  [[ 9.30910987e-34 -4.83715538e-33  3.62686832e-66]
 [-2.32727747e-33 -2.41857769e-33  2.57606725e-66]
 [-1.86182197e-33 -3.22477025e-33  3.09580830e-66]
 [ 1.39636648e-32 -8.06192564e-33 -8.87801360e-32]
 [ 9.30910987e-33 -3.22477025e-33 -1.36499459e-31]
 [ 1.11709318e-32 -6.44954051e-33 -1.06536163e-31]]
stress =  [-1.38896675e-12 -1.38896675e-12 -2.64474216e-11  3.14041684e-34
  6.21641332e-34  6.47499813e-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