element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1425']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1425, 0, 0], [0, 3.1425, 0], [0, 0, 3.1425]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:27:07       -8.772428         0.460624
BFGS:    1 11:27:07       -8.780927         0.400165
BFGS:    2 11:27:07       -8.805131         0.042274
BFGS:    3 11:27:07       -8.805373         0.003318
BFGS:    4 11:27:07       -8.805374         0.000025
BFGS:    5 11:27:07       -8.805374         0.000000
BFGS:    6 11:27:07       -8.805374         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.27278733066153e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.069785673194492, 4.77111127703647e-33, 1.2131433196187948e-33], [3.1368298134104805e-33, 3.069785673194492, 1.874504961170319e-19], [9.082865089117942e-35, 1.8745049611703486e-19, 3.069785673194492]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.27278733e-15  4.27278733e-15  4.27278733e-15 -6.17163380e-32
 -8.71993185e-34 -1.19370447e-50]
energy per atom =  -4.402687216207038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0