element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6765']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6765, 0, 0], [0, 3.6765, 0], [0, 0, 3.6765]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:58:29      -14.163637        0.9961
BFGS:    1 13:58:29      -14.203028        0.8503
BFGS:    2 13:58:29      -14.294389        0.3778
BFGS:    3 13:58:29      -14.319163        0.0412
BFGS:    4 13:58:29      -14.319483        0.0024
BFGS:    5 13:58:29      -14.319484        0.0000
BFGS:    6 13:58:29      -14.319484        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.853320209301744e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.7770505487286243, 1.8688143531715558e-33, -9.097627490257193e-33], [4.143424247694192e-33, 3.7770505487286243, 8.90460219966876e-19], [3.330810959400731e-33, 8.904602199668787e-19, 3.7770505487286243]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.85332021e-10 -4.85332021e-10 -4.85332021e-10 -4.12581660e-26
  4.32001117e-34  1.23588389e-50]
energy per atom =  -3.579870937761045
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0