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 21:15:51      -24.122570         0.291207
BFGS:    1 21:15:51      -24.126936         0.280354
BFGS:    2 21:15:51      -24.168226         0.244088
BFGS:    3 21:15:51      -24.184957         0.414003
BFGS:    4 21:15:51      -24.187503         0.409245
BFGS:    5 21:15:51      -24.203354         0.329423
BFGS:    6 21:15:51      -24.215811         0.233705
BFGS:    7 21:15:51      -24.224561         0.131162
BFGS:    8 21:15:51      -24.229390         0.074967
BFGS:    9 21:15:52      -24.230588         0.080654
BFGS:   10 21:15:52      -24.231118         0.075217
BFGS:   11 21:15:52      -24.232487         0.046531
BFGS:   12 21:15:52      -24.232873         0.020871
BFGS:   13 21:15:52      -24.232942         0.002023
BFGS:   14 21:15:52      -24.232943         0.000220
BFGS:   15 21:15:52      -24.232943         0.000008
BFGS:   16 21:15:52      -24.232943         0.000001
BFGS:   17 21:15:52      -24.232943         0.000000
BFGS:   18 21:15:52      -24.232943         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.485036459256542e-10 eV/Angstrom
Maximum stress component: 1.4241155695296394e-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]
 [6.95140707e-34 0.00000000e+00 6.82350670e-01]
 [5.00000000e-01 5.00000000e-01 8.17649330e-01]
 [5.00000000e-01 5.00000000e-01 1.82350670e-01]
 [6.01384347e-85 0.00000000e+00 3.92626475e-66]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.4238055030218986, -1.8942664711505337e-36, -3.899913656362156e-32], [-1.6062685929026017e-36, 3.4238055030219, -5.179897642279022e-17], [1.6813106401538304e-32, -1.4123958702111077e-16, 9.673894495283282]])
forces =  [[ 1.47468862e-42 -1.23882170e-26  8.48503646e-10]
 [ 1.31880191e-33  1.23882183e-26 -8.48503646e-10]
 [ 1.47468862e-42 -1.23882121e-26  8.48503646e-10]
 [-5.27520764e-33  1.23882144e-26 -8.48503646e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.32940417e-10  1.32940417e-10  1.42411557e-10 -8.86902432e-26
  1.74490315e-42 -1.44835245e-57]
energy per atom =  -4.03882389865836
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0