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_1959HighCutoff_Ca__MO_159753408472_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 17:35:44      -13.225864         0.372339
BFGS:    1 17:35:44      -13.238519         0.369457
BFGS:    2 17:35:44      -13.321559         0.346663
BFGS:    3 17:35:44      -13.356879         0.328408
BFGS:    4 17:35:44      -13.363659         0.314476
BFGS:    5 17:35:44      -13.366686         0.299405
BFGS:    6 17:35:44      -13.374506         0.248168
BFGS:    7 17:35:44      -13.382912         0.188288
BFGS:    8 17:35:44      -13.392038         0.121165
BFGS:    9 17:35:44      -13.400960         0.085519
BFGS:   10 17:35:45      -13.406740         0.048407
BFGS:   11 17:35:45      -13.407200         0.040925
BFGS:   12 17:35:45      -13.407360         0.037541
BFGS:   13 17:35:45      -13.407449         0.035866
BFGS:   14 17:35:45      -13.407755         0.028953
BFGS:   15 17:35:45      -13.408152         0.017773
BFGS:   16 17:35:45      -13.408538         0.012406
BFGS:   17 17:35:45      -13.408670         0.005635
BFGS:   18 17:35:45      -13.408686         0.000859
BFGS:   19 17:35:45      -13.408686         0.000063
BFGS:   20 17:35:45      -13.408686         0.000002
BFGS:   21 17:35:45      -13.408686         0.000000
BFGS:   22 17:35:45      -13.408686         0.000000
Minimization converged after 22 steps.
Maximum force component: 3.3481861373877106e-09 eV/Angstrom
Maximum stress component: 1.3359193685158356e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']
basis =  [[1.79825360e-01 6.79825360e-01 3.96555426e-34]
 [8.20174640e-01 3.20174640e-01 1.98277713e-34]
 [3.20174640e-01 1.79825360e-01 2.83253875e-34]
 [6.79825360e-01 8.20174640e-01 1.07636473e-33]
 [8.20174640e-01 6.79825360e-01 5.00000000e-01]
 [1.79825360e-01 3.20174640e-01 5.00000000e-01]
 [6.79825360e-01 1.79825360e-01 5.00000000e-01]
 [3.20174640e-01 8.20174640e-01 5.00000000e-01]]
cellpar =  Cell([[7.364158266577817, 1.4484281405781915e-36, 3.6732988811536184e-33], [2.0073667861788993e-36, 7.364158266577816, -3.78740251770148e-18], [-7.377761333596705e-33, -4.80291971296862e-18, 6.799306598240773]])
forces =  [[-3.34818614e-09 -3.34818614e-09  1.72197904e-27]
 [ 3.34818614e-09  3.34818614e-09 -1.72197851e-27]
 [ 3.34818614e-09 -3.34818614e-09  1.72197986e-27]
 [-3.34818614e-09  3.34818614e-09 -1.72197937e-27]
 [ 3.34818614e-09 -3.34818614e-09  1.72197937e-27]
 [-3.34818614e-09  3.34818614e-09 -1.72197937e-27]
 [-3.34818614e-09 -3.34818614e-09  1.72197871e-27]
 [ 3.34818614e-09  3.34818614e-09 -1.72197888e-27]]
stress =  [ 1.33591937e-10  1.33591937e-10 -1.25782250e-10 -1.54077483e-26
  3.07710799e-35  1.06771636e-51]
energy per atom =  -1.6760857596032803
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0