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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 16:59:58      -14.957162        1.3028
BFGS:    1 16:59:58      -15.017535        1.2120
BFGS:    2 16:59:58      -15.158250        0.9825
BFGS:    3 16:59:58      -15.270113        0.7699
BFGS:    4 16:59:58      -15.355239        0.5691
BFGS:    5 16:59:58      -15.414851        0.3720
BFGS:    6 16:59:58      -15.449274        0.1684
BFGS:    7 16:59:58      -15.459286        0.1095
BFGS:    8 16:59:58      -15.459673        0.0969
BFGS:    9 16:59:58      -15.460627        0.0474
BFGS:   10 16:59:58      -15.461034        0.0363
BFGS:   11 16:59:58      -15.461241        0.0491
BFGS:   12 16:59:58      -15.461379        0.0510
BFGS:   13 16:59:58      -15.461605        0.0444
BFGS:   14 16:59:58      -15.461860        0.0266
BFGS:   15 16:59:58      -15.462021        0.0105
BFGS:   16 16:59:58      -15.462056        0.0060
BFGS:   17 16:59:58      -15.462060        0.0060
BFGS:   18 16:59:58      -15.462061        0.0066
BFGS:   19 16:59:58      -15.462065        0.0070
BFGS:   20 16:59:58      -15.462071        0.0059
BFGS:   21 16:59:58      -15.462076        0.0029
BFGS:   22 16:59:58      -15.462078        0.0006
BFGS:   23 16:59:58      -15.462078        0.0001
BFGS:   24 16:59:58      -15.462078        0.0000
BFGS:   25 16:59:58      -15.462078        0.0000
BFGS:   26 16:59:58      -15.462078        0.0000
BFGS:   27 16:59:58      -15.462078        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.8691306944047803e-09 eV/Angstrom
Maximum stress component: 2.020507722274637e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.36799371]
 [0.66666667 0.33333333 0.63200629]
 [0.33333333 0.66666667 0.86867508]
 [0.66666667 0.33333333 0.13132492]]
cellpar =  Cell([[4.339844659174439, -5.737844591317645e-18, -1.1493283391659525e-36], [-2.1699223295872194, 3.7584157233232838, -1.3227209744645885e-36], [7.071555339380038e-36, -9.741476964873822e-37, 5.337781167214079]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.47624635e-45  3.41117274e-46 -1.86913069e-09]
 [ 2.47624635e-45 -3.41117274e-46  1.86913069e-09]
 [-3.12040840e-31  1.54420168e-31  7.49436277e-10]
 [ 2.13970862e-31 -1.23536135e-31 -7.49436277e-10]]
stress =  [-2.76774390e-12 -2.76774390e-12  2.02050772e-11  8.19206925e-34
 -3.61974872e-47  2.69146405e-28]
energy per atom =  -3.092415602943607
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0