element(s):
['Al', 'Cu']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1367', '1.2167912', '0.6472319', '0.1573935']
model name:
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Cu']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.3527681 ]
 [0.33333333 0.66666667 0.8426065 ]]
spacegroup =  164
cell =  [[4.1367, 0, 0], [-2.06835, 3.5824872878351, 0], [0, 0, 5.0335]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:00:05      -18.548042        1.3100
BFGS:    1 17:00:06      -18.618668        1.1911
BFGS:    2 17:00:06      -18.762363        0.8395
BFGS:    3 17:00:07      -18.840838        0.4415
BFGS:    4 17:00:07      -18.863884        0.4327
BFGS:    5 17:00:08      -18.871588        0.3491
BFGS:    6 17:00:08      -18.882810        0.0988
BFGS:    7 17:00:09      -18.883093        0.0819
BFGS:    8 17:00:10      -18.883580        0.0514
BFGS:    9 17:00:11      -18.883894        0.0306
BFGS:   10 17:00:12      -18.884024        0.0139
BFGS:   11 17:00:12      -18.884044        0.0084
BFGS:   12 17:00:13      -18.884050        0.0097
BFGS:   13 17:00:14      -18.884061        0.0101
BFGS:   14 17:00:16      -18.884075        0.0078
BFGS:   15 17:00:17      -18.884084        0.0032
BFGS:   16 17:00:18      -18.884086        0.0009
BFGS:   17 17:00:19      -18.884086        0.0001
BFGS:   18 17:00:20      -18.884086        0.0000
BFGS:   19 17:00:21      -18.884086        0.0000
BFGS:   20 17:00:22      -18.884086        0.0000
Minimization converged after 20 steps.
Maximum force component: 7.402521288925758e-09 eV/Angstrom
Maximum stress component: 5.898428291430883e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.33952388]
 [0.66666667 0.33333333 0.66047612]
 [0.33333333 0.66666667 0.83591721]
 [0.66666667 0.33333333 0.16408279]]
cellpar =  Cell([[3.987038026709768, -1.3801669784775112e-17, -4.0815122897527973e-38], [-1.993519013354884, 3.4528762169852354, -2.0523082720214538e-38], [-1.3138351093608479e-36, -1.2264258688680911e-36, 4.961033585243084]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.55253839e-32 -4.28341928e-46  1.73360986e-09]
 [ 3.27626919e-32 -2.83733235e-32 -1.73360986e-09]
 [-3.27626919e-32  5.67466470e-32  7.40252129e-09]
 [ 1.96042247e-45 -5.67466470e-32 -7.40252129e-09]]
stress =  [ 4.04165528e-10  4.04165528e-10  5.89842829e-10  4.83232087e-46
  2.43436727e-46 -5.85908662e-26]
energy per atom =  -3.7768065101685218
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0