element(s):
['Ag', 'Zr']
AFLOW prototype label:
A2B_tI6_139_e_a
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5383', '2.6155216', '0.32626347']
model name:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.         0.32626347]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[3.5383, 0, 0], [0, 3.5383, 0], [0, 0, 9.2545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:53      -24.122570         0.291207
BFGS:    1 17:12:53      -24.126936         0.280354
BFGS:    2 17:12:53      -24.168226         0.244088
BFGS:    3 17:12:53      -24.184957         0.414003
BFGS:    4 17:12:53      -24.187503         0.409245
BFGS:    5 17:12:53      -24.203354         0.329423
BFGS:    6 17:12:53      -24.215811         0.233705
BFGS:    7 17:12:53      -24.224561         0.131162
BFGS:    8 17:12:53      -24.229390         0.074967
BFGS:    9 17:12:53      -24.230588         0.080654
BFGS:   10 17:12:53      -24.231118         0.075217
BFGS:   11 17:12:53      -24.232487         0.046531
BFGS:   12 17:12:53      -24.232873         0.020871
BFGS:   13 17:12:53      -24.232942         0.002023
BFGS:   14 17:12:53      -24.232943         0.000220
BFGS:   15 17:12:53      -24.232943         0.000008
BFGS:   16 17:12:53      -24.232943         0.000001
BFGS:   17 17:12:53      -24.232943         0.000000
BFGS:   18 17:12:53      -24.232943         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.48507763942346e-10 eV/Angstrom
Maximum stress component: 1.4241200338520816e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 3.17649330e-01]
 [3.66001921e-34 3.60007355e-33 6.82350670e-01]
 [5.00000000e-01 5.00000000e-01 8.17649330e-01]
 [5.00000000e-01 5.00000000e-01 1.82350670e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.4238055030218986, -7.221381427232708e-37, -4.461647731812838e-32], [5.3413460502817596e-37, 3.4238055030219003, 9.380777459224138e-18], [1.3664650252880588e-32, 2.6334537944427625e-17, 9.673894495283285]])
forces =  [[ 1.19854127e-42  2.30985195e-27  8.48507764e-10]
 [-1.19854127e-42 -2.30985195e-27 -8.48507764e-10]
 [ 1.19854127e-42  2.30985195e-27  8.48507764e-10]
 [-1.19854127e-42 -2.30985195e-27 -8.48507764e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.32940757e-10  1.32940757e-10  1.42412003e-10  1.16811669e-25
 -2.20959993e-34 -1.71720410e-49]
energy per atom =  -4.038823898658361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0