element(s):
['Cu', 'Pt']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7123']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7123, 0, 0], [0, 3.7123, 0], [0, 0, 3.7123]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:08:13      -20.777927         2.400397
BFGS:    1 16:08:13      -20.998006         1.885105
BFGS:    2 16:08:13      -21.228747         1.205019
BFGS:    3 16:08:13      -21.363401         0.602737
BFGS:    4 16:08:14      -21.413106         0.071243
BFGS:    5 16:08:14      -21.413871         0.005023
BFGS:    6 16:08:14      -21.413875         0.000047
BFGS:    7 16:08:14      -21.413875         0.000000
BFGS:    8 16:08:14      -21.413875         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3679907122132745e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.98132169e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.98132169e-17]
 [0.00000000e+00 5.98132169e-17 5.98132169e-17]]
cellpar =  Cell([[3.8900326148745767, -8.432050155256335e-33, -6.649915813620972e-33], [-1.0835675624578288e-32, 3.8900326148745767, -2.831373442632154e-17], [4.4366937594434e-33, -2.831373442632155e-17, 3.8900326148745767]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.36799071e-14 -1.36799071e-14 -1.36799071e-14 -3.15619803e-31
 -2.03635731e-34 -1.10207266e-51]
energy per atom =  -5.353468764466351
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0