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 16:24:38      -18.548042         1.310049
BFGS:    1 16:24:38      -18.618668         1.191128
BFGS:    2 16:24:39      -18.762363         0.839481
BFGS:    3 16:24:39      -18.840838         0.441515
BFGS:    4 16:24:40      -18.863884         0.432745
BFGS:    5 16:24:40      -18.871588         0.349143
BFGS:    6 16:24:41      -18.882810         0.098828
BFGS:    7 16:24:42      -18.883093         0.081852
BFGS:    8 16:24:42      -18.883580         0.051434
BFGS:    9 16:24:43      -18.883894         0.030571
BFGS:   10 16:24:43      -18.884024         0.013928
BFGS:   11 16:24:44      -18.884044         0.008431
BFGS:   12 16:24:45      -18.884050         0.009703
BFGS:   13 16:24:45      -18.884061         0.010132
BFGS:   14 16:24:45      -18.884075         0.007769
BFGS:   15 16:24:46      -18.884084         0.003184
BFGS:   16 16:24:46      -18.884086         0.000871
BFGS:   17 16:24:47      -18.884086         0.000088
BFGS:   18 16:24:47      -18.884086         0.000008
BFGS:   19 16:24:48      -18.884086         0.000000
BFGS:   20 16:24:48      -18.884086         0.000000
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