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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_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 09:40:08       -1.464747         0.963230
BFGS:    1 09:40:08       -1.494070         0.956576
BFGS:    2 09:40:08       -1.595197         0.881265
BFGS:    3 09:40:08       -1.680314         0.689206
BFGS:    4 09:40:08       -1.733859         0.308236
BFGS:    5 09:40:09       -1.739037         0.228765
BFGS:    6 09:40:09       -1.741548         0.041325
BFGS:    7 09:40:09       -1.741617         0.026844
BFGS:    8 09:40:09       -1.741653         0.029347
BFGS:    9 09:40:09       -1.741695         0.020642
BFGS:   10 09:40:09       -1.741710         0.008317
BFGS:   11 09:40:09       -1.741714         0.007389
BFGS:   12 09:40:09       -1.741715         0.005073
BFGS:   13 09:40:09       -1.741717         0.003289
BFGS:   14 09:40:09       -1.741717         0.001168
BFGS:   15 09:40:09       -1.741717         0.000173
BFGS:   16 09:40:09       -1.741717         0.000028
BFGS:   17 09:40:09       -1.741717         0.000001
BFGS:   18 09:40:09       -1.741717         0.000000
BFGS:   19 09:40:09       -1.741717         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.035426471561305e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.399780323516856, 8.031538637665202e-37, 0.0], [1.5474002431289331e-35, 5.8885922533795725, 0.0], [0.0, 0.0, 3.3278706747551214]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14994718e-11 -1.03542647e-10  5.54396333e-11  0.00000000e+00
  0.00000000e+00 -7.86047745e-46]
energy per atom =  -0.8708587179681662
===============================================
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.