element(s):
['Ag', 'Zr']
AFLOW prototype label:
AB_tP4_129_c_c
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4606', '1.9672889', '0.6114699', '0.13967166']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.5        0.6114699 ]
 [0.         0.5        0.13967166]]
spacegroup =  129
cell =  [[3.4606, 0, 0], [0, 3.4606, 0], [0, 0, 6.808]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:09      -65.022727        46.726965
BFGS:    1 15:56:09      -70.920859        21.486252
BFGS:    2 15:56:09      -73.139654        22.140260
BFGS:    3 15:56:09      -75.388532        11.362291
BFGS:    4 15:56:09      -76.105052         8.468951
BFGS:    5 15:56:09      -76.630368         6.435813
BFGS:    6 15:56:09      -76.964952         4.435269
BFGS:    7 15:56:09      -77.178508         2.727150
BFGS:    8 15:56:09      -77.283937         1.062252
BFGS:    9 15:56:09      -77.304212         0.104563
BFGS:   10 15:56:09      -77.304468         0.107843
BFGS:   11 15:56:09      -77.304617         0.079164
BFGS:   12 15:56:09      -77.304694         0.027071
BFGS:   13 15:56:09      -77.304704         0.005607
BFGS:   14 15:56:09      -77.304704         0.000087
BFGS:   15 15:56:09      -77.304704         0.000011
BFGS:   16 15:56:09      -77.304704         0.000000
BFGS:   17 15:56:09      -77.304704         0.000000
BFGS:   18 15:56:09      -77.304704         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.887192823559979e-10 eV/Angstrom
Maximum stress component: 1.6724583129893953e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr']
basis =  [[1.54074396e-33 5.00000000e-01 5.86523287e-01]
 [5.00000000e-01 1.00000000e+00 4.13476713e-01]
 [8.47409176e-33 5.00000000e-01 1.59744022e-01]
 [5.00000000e-01 1.00000000e+00 8.40255978e-01]]
cellpar =  Cell([[3.43177859501606, 9.563045500712358e-35, -9.346604030897895e-36], [-4.235188296322511e-35, 3.43177859501606, 5.14179984524546e-17], [-7.181674420454173e-35, 1.0179100332481504e-16, 7.498914140865503]])
forces =  [[ 6.76798992e-31  9.34874376e-27  6.88719282e-10]
 [-6.76798992e-31 -9.34874376e-27 -6.88719282e-10]
 [ 3.38399496e-31  6.72224665e-27  4.95225991e-10]
 [-3.38399496e-31 -6.72224665e-27 -4.95225991e-10]]
stress =  [ 2.20259775e-12  2.20259775e-12  1.67245831e-11 -8.03698891e-30
  1.91585576e-33 -3.93796238e-50]
energy per atom =  -19.326176024684955
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0