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_1959MedCutoff_Ca__MO_562200212426_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 16:43:18       -3.256336         0.538102
BFGS:    1 16:43:18       -3.262318         0.475086
BFGS:    2 16:43:18       -3.285704         0.110324
BFGS:    3 16:43:18       -3.287833         0.046672
BFGS:    4 16:43:18       -3.287904         0.034312
BFGS:    5 16:43:18       -3.287953         0.028361
BFGS:    6 16:43:18       -3.288016         0.017557
BFGS:    7 16:43:18       -3.288039         0.008642
BFGS:    8 16:43:18       -3.288043         0.007229
BFGS:    9 16:43:18       -3.288045         0.005873
BFGS:   10 16:43:18       -3.288047         0.003635
BFGS:   11 16:43:19       -3.288049         0.003151
BFGS:   12 16:43:19       -3.288050         0.001476
BFGS:   13 16:43:19       -3.288051         0.000442
BFGS:   14 16:43:19       -3.288051         0.000071
BFGS:   15 16:43:19       -3.288051         0.000003
BFGS:   16 16:43:19       -3.288051         0.000000
BFGS:   17 16:43:19       -3.288051         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.156511672515942e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.832679968067922, 3.618289827997908e-36, 0.0], [2.1865227692664595e-34, 6.638396432885445, 0.0], [0.0, 0.0, 3.6187354452862555]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [6.15651167e-11 3.87646167e-11 6.15311598e-11 0.00000000e+00
 0.00000000e+00 1.80262844e-45]
energy per atom =  -1.6440254023186844
===============================================
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.