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_1959HighCutoff_Ca__MO_159753408472_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 09:39:53       -3.304717         0.510168
BFGS:    1 09:39:53       -3.310026         0.449065
BFGS:    2 09:39:53       -3.330975         0.092739
BFGS:    3 09:39:53       -3.332384         0.042722
BFGS:    4 09:39:53       -3.332443         0.031547
BFGS:    5 09:39:53       -3.332487         0.026470
BFGS:    6 09:39:53       -3.332542         0.015899
BFGS:    7 09:39:53       -3.332560         0.007519
BFGS:    8 09:39:53       -3.332563         0.006271
BFGS:    9 09:39:53       -3.332564         0.005111
BFGS:   10 09:39:53       -3.332566         0.003273
BFGS:   11 09:39:53       -3.332567         0.002778
BFGS:   12 09:39:53       -3.332568         0.001256
BFGS:   13 09:39:53       -3.332569         0.000371
BFGS:   14 09:39:53       -3.332569         0.000057
BFGS:   15 09:39:53       -3.332569         0.000002
BFGS:   16 09:39:53       -3.332569         0.000000
BFGS:   17 09:39:53       -3.332569         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.846552368388099e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8263660752943243, 1.3790455904523561e-37, 0.0], [5.364821844085047e-35, 6.627460450026078, 0.0], [0.0, 0.0, 3.6121930962842903]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.84655237e-11 3.07585341e-11 4.43334361e-11 0.00000000e+00
 0.00000000e+00 3.54635488e-46]
energy per atom =  -1.6662843898689104
===============================================
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.