element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tP3_123_e_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1364', '0.69686201']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  123
cell =  [[4.1364, 0, 0], [0, 4.1364, 0], [0, 0, 2.8825]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:46:54      -10.578459        0.3915
BFGS:    1 15:46:54      -10.584160        0.3407
BFGS:    2 15:46:54      -10.601915        0.0329
BFGS:    3 15:46:54      -10.601985        0.0145
BFGS:    4 15:46:54      -10.601990        0.0127
BFGS:    5 15:46:54      -10.602016        0.0131
BFGS:    6 15:46:54      -10.602057        0.0168
BFGS:    7 15:46:54      -10.602121        0.0163
BFGS:    8 15:46:54      -10.602167        0.0090
BFGS:    9 15:46:54      -10.602179        0.0027
BFGS:   10 15:46:54      -10.602180        0.0004
BFGS:   11 15:46:54      -10.602181        0.0000
BFGS:   12 15:46:54      -10.602181        0.0000
BFGS:   13 15:46:54      -10.602181        0.0000
BFGS:   14 15:46:54      -10.602181        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6225020706324815e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.60712875e-35 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.180325859057942, -2.965528983825265e-37, -4.2205524531664275e-32], [-3.2068542345036274e-37, 4.180325859057941, 1.5202697131361527e-18], [-1.7669273477970903e-32, 1.0609745184114898e-18, 2.943628881296043]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.28428211e-11 -1.28428211e-11 -3.62250207e-11 -2.16356206e-28
  3.07280639e-44  1.39303784e-60]
energy per atom =  -3.5340601691737565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0