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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004
==== 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 16:33:18       -3.000446        0.6254
BFGS:    1 16:33:18       -3.010290        0.6246
BFGS:    2 16:33:18       -3.046283        0.2262
BFGS:    3 16:33:18       -3.054100        0.0549
BFGS:    4 16:33:18       -3.054332        0.0309
BFGS:    5 16:33:18       -3.054358        0.0248
BFGS:    6 16:33:18       -3.054411        0.0183
BFGS:    7 16:33:18       -3.054435        0.0074
BFGS:    8 16:33:18       -3.054442        0.0065
BFGS:    9 16:33:18       -3.054443        0.0053
BFGS:   10 16:33:18       -3.054444        0.0038
BFGS:   11 16:33:18       -3.054446        0.0029
BFGS:   12 16:33:18       -3.054447        0.0019
BFGS:   13 16:33:18       -3.054447        0.0006
BFGS:   14 16:33:18       -3.054448        0.0001
BFGS:   15 16:33:18       -3.054448        0.0000
BFGS:   16 16:33:18       -3.054448        0.0000
BFGS:   17 16:33:18       -3.054448        0.0000
BFGS:   18 16:33:18       -3.054448        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.265108754752037e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8611218532707228, -4.1024079730155635e-36, 0.0], [-7.892778541599633e-36, 6.687659223882582, 0.0], [0.0, 0.0, 3.65321308027753]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.26510875e-12 -2.45252836e-13  3.89555196e-12  0.00000000e+00
  0.00000000e+00 -1.19336371e-34]
energy per atom =  -1.5272237698518019
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC2_65_a, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.