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 16:33:17       -3.256336        0.5381
BFGS:    1 16:33:17       -3.262318        0.4751
BFGS:    2 16:33:17       -3.285704        0.1103
BFGS:    3 16:33:17       -3.287833        0.0467
BFGS:    4 16:33:17       -3.287904        0.0343
BFGS:    5 16:33:17       -3.287953        0.0284
BFGS:    6 16:33:17       -3.288016        0.0176
BFGS:    7 16:33:17       -3.288039        0.0086
BFGS:    8 16:33:17       -3.288043        0.0072
BFGS:    9 16:33:17       -3.288045        0.0059
BFGS:   10 16:33:17       -3.288047        0.0036
BFGS:   11 16:33:17       -3.288049        0.0032
BFGS:   12 16:33:17       -3.288050        0.0015
BFGS:   13 16:33:17       -3.288051        0.0004
BFGS:   14 16:33:17       -3.288051        0.0001
BFGS:   15 16:33:17       -3.288051        0.0000
BFGS:   16 16:33:17       -3.288051        0.0000
BFGS:   17 16:33:17       -3.288051        0.0000
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, 2.5714763432464163e-36, 0.0], [2.0919752749205503e-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 1.72468093e-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.