element(s):
['Ca']
AFLOW prototype label:
A_tI8_140_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4277', '0.87422755', '0.169563']
model name:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0.169563 0.669563 0.      ]]
spacegroup =  140
cell =  [[7.4277, 0, 0], [0, 7.4277, 0], [0, 0, 6.4935]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:33:05       -9.491259         0.979661
BFGS:    1 17:33:05       -9.526591         0.990872
BFGS:    2 17:33:05       -9.658472         1.018575
BFGS:    3 17:33:06       -9.798238         1.017417
BFGS:    4 17:33:06       -9.943361         1.052234
BFGS:    5 17:33:06      -10.091136         1.078210
BFGS:    6 17:33:06      -10.236320         1.035730
BFGS:    7 17:33:06      -10.369140         0.930661
BFGS:    8 17:33:06      -10.479046         0.776311
BFGS:    9 17:33:06      -10.559488         0.575891
BFGS:   10 17:33:06      -10.607060         0.338242
BFGS:   11 17:33:06      -10.625217         0.227640
BFGS:   12 17:33:06      -10.635207         0.262871
BFGS:   13 17:33:06      -10.653532         0.316671
BFGS:   14 17:33:06      -10.670874         0.348530
BFGS:   15 17:33:06      -10.689249         0.343190
BFGS:   16 17:33:06      -10.708187         0.261787
BFGS:   17 17:33:06      -10.719683         0.129531
BFGS:   18 17:33:06      -10.722555         0.033337
BFGS:   19 17:33:06      -10.722595         0.033106
BFGS:   20 17:33:06      -10.723010         0.029065
BFGS:   21 17:33:06      -10.723355         0.024240
BFGS:   22 17:33:06      -10.724355         0.004041
BFGS:   23 17:33:06      -10.724365         0.000573
BFGS:   24 17:33:06      -10.724365         0.000006
BFGS:   25 17:33:06      -10.724365         0.000001
BFGS:   26 17:33:06      -10.724365         0.000000
Minimization converged after 26 steps.
Maximum force component: 3.267442100712474e-10 eV/Angstrom
Maximum stress component: 1.195429785774207e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']
basis =  [[1.67008189e-01 6.67008189e-01 9.10303224e-34]
 [8.32991811e-01 3.32991811e-01 4.55151612e-34]
 [3.32991811e-01 1.67008189e-01 0.00000000e+00]
 [6.67008189e-01 8.32991811e-01 0.00000000e+00]
 [8.32991811e-01 6.67008189e-01 5.00000000e-01]
 [1.67008189e-01 3.32991811e-01 5.00000000e-01]
 [6.67008189e-01 1.67008189e-01 5.00000000e-01]
 [3.32991811e-01 8.32991811e-01 5.00000000e-01]]
cellpar =  Cell([[8.059515223132959, -4.054625781485956e-36, 7.781588321004282e-33], [1.2954075793580174e-36, 8.059515223132959, -6.71735578720607e-17], [-1.8401157035012905e-32, -5.923342548275439e-17, 6.770244970780863]])
forces =  [[-3.26744210e-10 -3.26744210e-10  2.72331158e-27]
 [ 3.26744210e-10  3.26744210e-10 -2.72331158e-27]
 [ 3.26744210e-10 -3.26744210e-10  2.72331158e-27]
 [-3.26744210e-10  3.26744210e-10 -2.72331158e-27]
 [ 3.26744210e-10 -3.26744210e-10  2.72331158e-27]
 [-3.26744210e-10  3.26744210e-10 -2.72331158e-27]
 [-3.26744210e-10 -3.26744210e-10  2.72331158e-27]
 [ 3.26744210e-10  3.26744210e-10 -2.72331158e-27]]
stress =  [ 5.97975726e-11  5.97975726e-11  1.19542979e-10  7.89732371e-27
 -1.19124465e-35 -1.32254723e-51]
energy per atom =  -0.9564591708941714
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0