element(s):
['Ca']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5236']
model name:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:48:48       -5.492937        1.5251
BFGS:    1 16:48:48       -5.585244        1.2924
BFGS:    2 16:48:48       -5.730160        0.6043
BFGS:    3 16:48:48       -5.760338        0.1724
BFGS:    4 16:48:48       -5.762641        0.0136
BFGS:    5 16:48:48       -5.762656        0.0003
BFGS:    6 16:48:48       -5.762656        0.0000
BFGS:    7 16:48:48       -5.762656        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1760313925280518e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.03279013e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.71692714e-34]]
cellpar =  Cell([[5.670906418227124, 2.236091532266045e-32, 5.747175210012118e-34], [4.1331658943582424e-33, 5.670906418227124, -1.5691343815921932e-17], [-8.16279775662368e-35, -1.569134381592194e-17, 5.670906418227124]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.17603139e-10  1.17603139e-10  1.17603139e-10  5.44487681e-28
 -7.98498788e-36 -3.73047903e-53]
energy per atom =  -1.0565774697731354
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0