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 15:12:45       -5.492937         1.525139
BFGS:    1 15:12:45       -5.585244         1.292439
BFGS:    2 15:12:45       -5.730160         0.604288
BFGS:    3 15:12:46       -5.760338         0.172417
BFGS:    4 15:12:46       -5.762641         0.013603
BFGS:    5 15:12:46       -5.762656         0.000260
BFGS:    6 15:12:46       -5.762656         0.000001
BFGS:    7 15:12:46       -5.762656         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1760329115819998e-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 0.00000000e+00]]
cellpar =  Cell([[5.6709064182271245, 2.2983521079887194e-32, 9.203786426426728e-34], [3.7481065552017884e-33, 5.6709064182271245, -1.5650333804205465e-17], [-2.909922476353711e-34, -1.565033380420547e-17, 5.6709064182271245]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.17603291e-10  1.17603291e-10  1.17603291e-10 -1.20636807e-27
  9.98123485e-37 -6.75655304e-54]
energy per atom =  -1.0565774697731365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0