element(s):
['Ca']
AFLOW prototype label:
A_oC2_65_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7599', '1.719966', '0.92776404']
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 =  65
cell =  [[3.7599, 0, 0], [0, 6.4669, 0], [0, 0, 3.4883]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:33:20       -1.779922        0.3552
BFGS:    1 16:33:20       -1.781937        0.3434
BFGS:    2 16:33:20       -1.793309        0.2223
BFGS:    3 16:33:20       -1.794213        0.2645
BFGS:    4 16:33:20       -1.795478        0.5495
BFGS:    5 16:33:20       -1.798251        0.4037
BFGS:    6 16:33:20       -1.799589        0.4297
BFGS:    7 16:33:20       -1.802357        0.6651
BFGS:    8 16:33:20       -1.806965        0.4970
BFGS:    9 16:33:20       -1.826036        0.4881
BFGS:   10 16:33:20       -1.850680        0.4261
BFGS:   11 16:33:20       -1.868660        0.4173
BFGS:   12 16:33:20       -1.866287        0.8817
BFGS:   13 16:33:20       -1.876692        0.6079
BFGS:   14 16:33:20       -1.880924        0.6809
BFGS:   15 16:33:20       -1.900806        1.2995
BFGS:   16 16:33:20       -1.961280        1.0510
BFGS:   17 16:33:20       -1.999704        0.5143
BFGS:   18 16:33:20       -2.014131        0.2682
BFGS:   19 16:33:20       -2.019385        0.1205
BFGS:   20 16:33:20       -2.020576        0.0796
BFGS:   21 16:33:20       -2.020777        0.0262
BFGS:   22 16:33:20       -2.020795        0.0099
BFGS:   23 16:33:20       -2.020796        0.0025
BFGS:   24 16:33:20       -2.020797        0.0010
BFGS:   25 16:33:20       -2.020797        0.0001
BFGS:   26 16:33:20       -2.020797        0.0000
BFGS:   27 16:33:20       -2.020797        0.0000
BFGS:   28 16:33:20       -2.020797        0.0000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.4188513408443e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.292483920964291, -2.904433924979196e-35, 0.0], [-1.9402278571382664e-35, 5.702872189988953, 0.0], [0.0, 0.0, 3.476057912901271]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.86125017e-11  1.03960884e-12 -5.41885134e-11  0.00000000e+00
  0.00000000e+00  5.70802637e-47]
energy per atom =  -0.6263118289223326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0