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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004
==== 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 09:48:37      -12.081043         0.490943
BFGS:    1 09:48:37      -12.096216         0.483917
BFGS:    2 09:48:37      -12.179087         0.439817
BFGS:    3 09:48:37      -12.230298         0.441265
BFGS:    4 09:48:37      -12.256486         0.399407
BFGS:    5 09:48:37      -12.266479         0.357704
BFGS:    6 09:48:37      -12.270193         0.331680
BFGS:    7 09:48:37      -12.279039         0.291730
BFGS:    8 09:48:37      -12.288039         0.224455
BFGS:    9 09:48:37      -12.297791         0.151980
BFGS:   10 09:48:37      -12.307581         0.090125
BFGS:   11 09:48:37      -12.314793         0.064955
BFGS:   12 09:48:37      -12.315544         0.052577
BFGS:   13 09:48:37      -12.315802         0.044361
BFGS:   14 09:48:37      -12.315917         0.041031
BFGS:   15 09:48:37      -12.316198         0.033807
BFGS:   16 09:48:37      -12.316671         0.026078
BFGS:   17 09:48:37      -12.317307         0.027428
BFGS:   18 09:48:37      -12.317690         0.014693
BFGS:   19 09:48:37      -12.317779         0.003096
BFGS:   20 09:48:37      -12.317785         0.000316
BFGS:   21 09:48:37      -12.317785         0.000013
BFGS:   22 09:48:37      -12.317785         0.000001
BFGS:   23 09:48:37      -12.317785         0.000000
BFGS:   24 09:48:37      -12.317785         0.000000
Minimization converged after 24 steps.
Maximum force component: 2.4391546173723674e-09 eV/Angstrom
Maximum stress component: 1.8978335000487e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']
basis =  [[1.79361353e-01 6.79361353e-01 0.00000000e+00]
 [8.20638647e-01 3.20638647e-01 0.00000000e+00]
 [3.20638647e-01 1.79361353e-01 0.00000000e+00]
 [6.79361353e-01 8.20638647e-01 8.96040218e-34]
 [8.20638647e-01 6.79361353e-01 5.00000000e-01]
 [1.79361353e-01 3.20638647e-01 5.00000000e-01]
 [6.79361353e-01 1.79361353e-01 5.00000000e-01]
 [3.20638647e-01 8.20638647e-01 5.00000000e-01]]
cellpar =  Cell([[7.46274039951043, -1.689705160239459e-36, -2.9459870086963426e-32], [-6.269377697190183e-36, 7.462740399510426, -4.5230761241993027e-17], [-6.541702004093121e-33, -3.92765010843853e-17, 6.878012502815622]])
forces =  [[-2.43915462e-09 -2.43915462e-09  1.47834193e-26]
 [ 2.43915462e-09  2.43915462e-09 -1.47834193e-26]
 [ 2.43915462e-09 -2.43915462e-09  1.47834193e-26]
 [-2.43915462e-09  2.43915462e-09 -1.47834193e-26]
 [ 2.43915462e-09 -2.43915462e-09  1.47834193e-26]
 [-2.43915462e-09  2.43915462e-09 -1.47834193e-26]
 [-2.43915462e-09 -2.43915462e-09  1.47834193e-26]
 [ 2.43915462e-09  2.43915462e-09 -1.47834193e-26]]
stress =  [ 9.27522437e-11  9.27522437e-11 -1.89783350e-10  2.77495502e-26
 -1.50085651e-35  3.23298649e-51]
energy per atom =  -1.5397231154950957
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0