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 09:48:40       -9.491259         0.979661
BFGS:    1 09:48:40       -9.526591         0.990872
BFGS:    2 09:48:40       -9.658472         1.018575
BFGS:    3 09:48:40       -9.798238         1.017417
BFGS:    4 09:48:40       -9.943361         1.052234
BFGS:    5 09:48:40      -10.091136         1.078210
BFGS:    6 09:48:40      -10.236320         1.035730
BFGS:    7 09:48:40      -10.369140         0.930661
BFGS:    8 09:48:40      -10.479046         0.776311
BFGS:    9 09:48:40      -10.559488         0.575891
BFGS:   10 09:48:40      -10.607060         0.338242
BFGS:   11 09:48:40      -10.625217         0.227640
BFGS:   12 09:48:40      -10.635207         0.262871
BFGS:   13 09:48:40      -10.653532         0.316671
BFGS:   14 09:48:40      -10.670874         0.348530
BFGS:   15 09:48:40      -10.689249         0.343190
BFGS:   16 09:48:40      -10.708187         0.261787
BFGS:   17 09:48:40      -10.719683         0.129531
BFGS:   18 09:48:40      -10.722555         0.033337
BFGS:   19 09:48:40      -10.722595         0.033106
BFGS:   20 09:48:40      -10.723010         0.029065
BFGS:   21 09:48:40      -10.723355         0.024240
BFGS:   22 09:48:40      -10.724355         0.004041
BFGS:   23 09:48:40      -10.724365         0.000573
BFGS:   24 09:48:40      -10.724365         0.000006
BFGS:   25 09:48:40      -10.724365         0.000001
BFGS:   26 09:48:40      -10.724365         0.000000
Minimization converged after 26 steps.
Maximum force component: 3.267444979302749e-10 eV/Angstrom
Maximum stress component: 1.1954306106785726e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.16700819 0.66700819 0.        ]
 [0.83299181 0.33299181 0.        ]
 [0.33299181 0.16700819 0.        ]
 [0.66700819 0.83299181 0.        ]
 [0.83299181 0.66700819 0.5       ]
 [0.16700819 0.33299181 0.5       ]
 [0.66700819 0.16700819 0.5       ]
 [0.33299181 0.83299181 0.5       ]]
cellpar =  Cell([[8.059515223132959, -7.064774751046495e-36, -1.5186893813125365e-31], [-7.62154261488997e-36, 8.05951522313296, -2.8476150928156385e-17], [5.71345272908758e-33, -2.7304372851121095e-17, 6.770244970780864]])
forces =  [[-3.26744498e-10 -3.26744498e-10  1.15445425e-27]
 [ 3.26744498e-10  3.26744498e-10 -1.15445425e-27]
 [ 3.26744498e-10 -3.26744498e-10  1.15445425e-27]
 [-3.26744498e-10  3.26744498e-10 -1.15445425e-27]
 [ 3.26744498e-10 -3.26744498e-10  1.15445685e-27]
 [-3.26744498e-10  3.26744498e-10 -1.15445685e-27]
 [-3.26744498e-10 -3.26744498e-10  1.15445425e-27]
 [ 3.26744498e-10  3.26744498e-10 -1.15445425e-27]]
stress =  [ 5.97976462e-11  5.97976462e-11  1.19543061e-10 -8.62034436e-27
  2.07248394e-44 -1.94404563e-60]
energy per atom =  -0.9564591708941717
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0