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 17:22:51       -9.491259        0.9797
BFGS:    1 17:22:51       -9.526591        0.9909
BFGS:    2 17:22:51       -9.658472        1.0186
BFGS:    3 17:22:51       -9.798238        1.0174
BFGS:    4 17:22:51       -9.943361        1.0522
BFGS:    5 17:22:51      -10.091136        1.0782
BFGS:    6 17:22:51      -10.236320        1.0357
BFGS:    7 17:22:51      -10.369140        0.9307
BFGS:    8 17:22:51      -10.479046        0.7763
BFGS:    9 17:22:51      -10.559488        0.5759
BFGS:   10 17:22:51      -10.607060        0.3382
BFGS:   11 17:22:51      -10.625217        0.2276
BFGS:   12 17:22:51      -10.635207        0.2629
BFGS:   13 17:22:51      -10.653532        0.3167
BFGS:   14 17:22:51      -10.670874        0.3485
BFGS:   15 17:22:51      -10.689249        0.3432
BFGS:   16 17:22:51      -10.708187        0.2618
BFGS:   17 17:22:51      -10.719683        0.1295
BFGS:   18 17:22:51      -10.722555        0.0333
BFGS:   19 17:22:51      -10.722595        0.0331
BFGS:   20 17:22:51      -10.723010        0.0291
BFGS:   21 17:22:51      -10.723355        0.0242
BFGS:   22 17:22:51      -10.724355        0.0040
BFGS:   23 17:22:51      -10.724365        0.0006
BFGS:   24 17:22:51      -10.724365        0.0000
BFGS:   25 17:22:51      -10.724365        0.0000
BFGS:   26 17:22:51      -10.724365        0.0000
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