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 12:07:25      -65.022727        46.726965
BFGS:    1 12:07:25      -70.920859        21.486252
BFGS:    2 12:07:25      -73.139654        22.140260
BFGS:    3 12:07:25      -75.388532        11.362291
BFGS:    4 12:07:25      -76.105052         8.468951
BFGS:    5 12:07:25      -76.630368         6.435813
BFGS:    6 12:07:26      -76.964952         4.435269
BFGS:    7 12:07:26      -77.178508         2.727150
BFGS:    8 12:07:26      -77.283937         1.062252
BFGS:    9 12:07:26      -77.304212         0.104563
BFGS:   10 12:07:26      -77.304468         0.107843
BFGS:   11 12:07:26      -77.304617         0.079164
BFGS:   12 12:07:26      -77.304694         0.027071
BFGS:   13 12:07:26      -77.304704         0.005607
BFGS:   14 12:07:26      -77.304704         0.000087
BFGS:   15 12:07:26      -77.304704         0.000011
BFGS:   16 12:07:26      -77.304704         0.000000
BFGS:   17 12:07:26      -77.304704         0.000000
BFGS:   18 12:07:27      -77.304704         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.886845866803034e-10 eV/Angstrom
Maximum stress component: 1.672308465461746e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr']
basis =  [[0.         0.5        0.58652329]
 [0.5        1.         0.41347671]
 [0.         0.5        0.15974402]
 [0.5        1.         0.84025598]]
cellpar =  Cell([[3.43177859501606, 1.232750331104964e-34, 9.762008999764433e-36], [-5.799583222907984e-35, 3.4317785950160595, -3.07104795525951e-17], [7.458195349105018e-35, -6.46396439955347e-17, 7.498914140865503]])
forces =  [[ 6.84945058e-45 -5.93603128e-27  6.88684587e-10]
 [-6.84945058e-45  5.93670808e-27 -6.88684587e-10]
 [ 4.92577138e-45 -4.26904611e-27  4.95266414e-10]
 [-4.92577138e-45  4.26921531e-27 -4.95266414e-10]]
stress =  [ 2.20088305e-12  2.20088305e-12  1.67230847e-11 -7.40584260e-27
 -3.83171152e-33  1.70162174e-48]
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