element(s):
['Ag', 'Zr']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4188']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.4188, 0, 0], [0, 4.4188, 0], [0, 0, 4.4188]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:38:48      -66.522011        56.378686
BFGS:    1 16:38:48      -73.686988        39.839016
BFGS:    2 16:38:48      -78.627084        26.525214
BFGS:    3 16:38:48      -81.784504        15.969506
BFGS:    4 16:38:48      -83.522896         7.540401
BFGS:    5 16:38:48      -84.115677         1.510815
BFGS:    6 16:38:48      -84.144132         0.193878
BFGS:    7 16:38:48      -84.144627         0.006052
BFGS:    8 16:38:48      -84.144627         0.000025
BFGS:    9 16:38:48      -84.144627         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3667574268547589e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.63789959e-34]]
cellpar =  Cell([[4.7034139529818635, 1.117191098556524e-32, 2.532913470003445e-34], [8.579878097323016e-33, 4.7034139529818635, -5.0872791397060015e-18], [7.279017950474617e-35, -5.087279139705993e-18, 4.7034139529818635]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.36675743e-10 -1.36675743e-10 -1.36675743e-10 -1.48269109e-27
  1.11435624e-33  8.51376707e-52]
energy per atom =  -21.036156780618967
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0