element(s):
['Ca']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7384', '0.93031778']
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 =  191
cell =  [[3.7384, 0, 0], [-1.8692, 3.2375493695077, 0], [0, 0, 3.4779]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:37:10       -1.625287        0.5859
BFGS:    1 14:37:10       -1.632028        0.4459
BFGS:    2 14:37:10       -1.643673        0.0622
BFGS:    3 14:37:10       -1.643973        0.0257
BFGS:    4 14:37:10       -1.644000        0.0207
BFGS:    5 14:37:10       -1.644020        0.0124
BFGS:    6 14:37:10       -1.644025        0.0032
BFGS:    7 14:37:10       -1.644025        0.0003
BFGS:    8 14:37:10       -1.644025        0.0000
BFGS:    9 14:37:10       -1.644025        0.0000
BFGS:   10 14:37:10       -1.644025        0.0000
BFGS:   11 14:37:10       -1.644025        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.7299201447321915e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.8326799669879428, -3.3731288386346965e-18, -6.659228604254097e-40], [-1.9163399834939714, 3.3191982159872624, -6.458489089601878e-39], [-6.273665393112266e-36, 3.688918287339107e-36, 3.618735444395621]])
forces =  [[0. 0. 0.]]
stress =  [-5.72992014e-12 -5.72992014e-12 -4.17672674e-12 -3.99697390e-48
 -1.33395028e-47  2.21367183e-27]
energy per atom =  -1.6440254023186827
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0