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 17:22:48      -13.225864        0.3723
BFGS:    1 17:22:48      -13.238519        0.3695
BFGS:    2 17:22:48      -13.321559        0.3467
BFGS:    3 17:22:48      -13.356879        0.3284
BFGS:    4 17:22:48      -13.363659        0.3145
BFGS:    5 17:22:48      -13.366686        0.2994
BFGS:    6 17:22:48      -13.374506        0.2482
BFGS:    7 17:22:48      -13.382912        0.1883
BFGS:    8 17:22:48      -13.392038        0.1212
BFGS:    9 17:22:48      -13.400960        0.0855
BFGS:   10 17:22:48      -13.406740        0.0484
BFGS:   11 17:22:48      -13.407200        0.0409
BFGS:   12 17:22:48      -13.407360        0.0375
BFGS:   13 17:22:48      -13.407449        0.0359
BFGS:   14 17:22:48      -13.407755        0.0290
BFGS:   15 17:22:48      -13.408152        0.0178
BFGS:   16 17:22:48      -13.408538        0.0124
BFGS:   17 17:22:48      -13.408670        0.0056
BFGS:   18 17:22:48      -13.408686        0.0009
BFGS:   19 17:22:48      -13.408686        0.0001
BFGS:   20 17:22:48      -13.408686        0.0000
BFGS:   21 17:22:48      -13.408686        0.0000
BFGS:   22 17:22:48      -13.408686        0.0000
Minimization converged after 22 steps.
Maximum force component: 3.3481881564821178e-09 eV/Angstrom
Maximum stress component: 1.3359203592742781e-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 9.06412401e-34]
 [8.20174640e-01 3.20174640e-01 2.26603100e-34]
 [3.20174640e-01 1.79825360e-01 2.26603100e-34]
 [6.79825360e-01 8.20174640e-01 1.35961860e-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([[7.364158266577822, -4.0465331934818194e-36, -4.7232008475433675e-32], [-2.0152623577519595e-36, 7.364158266577815, 2.629894941156305e-17], [-1.9642933861051822e-32, 2.292754272288047e-17, 6.799306598240773]])
forces =  [[-3.34818816e-09 -3.34818816e-09 -1.19570789e-26]
 [ 3.34818816e-09  3.34818816e-09  1.19570810e-26]
 [ 3.34818816e-09 -3.34818816e-09 -1.19570822e-26]
 [-3.34818816e-09  3.34818816e-09  1.19570790e-26]
 [ 3.34818816e-09 -3.34818816e-09 -1.19570795e-26]
 [-3.34818816e-09  3.34818816e-09  1.19570779e-26]
 [-3.34818816e-09 -3.34818816e-09 -1.19570772e-26]
 [ 3.34818816e-09  3.34818816e-09  1.19570802e-26]]
stress =  [ 1.33592036e-10  1.33592036e-10 -1.25782248e-10 -3.91015810e-26
  6.95715614e-43  2.43791405e-58]
energy per atom =  -1.6760857596032788
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0