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 17:51:14       -1.625287         0.585928
BFGS:    1 17:51:14       -1.632028         0.445870
BFGS:    2 17:51:14       -1.643673         0.062203
BFGS:    3 17:51:14       -1.643973         0.025743
BFGS:    4 17:51:15       -1.644000         0.020652
BFGS:    5 17:51:15       -1.644020         0.012396
BFGS:    6 17:51:15       -1.644025         0.003241
BFGS:    7 17:51:15       -1.644025         0.000348
BFGS:    8 17:51:15       -1.644025         0.000034
BFGS:    9 17:51:15       -1.644025         0.000002
BFGS:   10 17:51:15       -1.644025         0.000000
BFGS:   11 17:51:15       -1.644025         0.000000
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, -2.9561245995071388e-18, -1.7674158161036086e-38], [-1.9163399834939714, 3.3191982159872624, 6.699089447485876e-39], [-5.391884514954841e-37, -9.614289289802972e-36, 3.618735444395621]])
forces =  [[0. 0. 0.]]
stress =  [-5.72992014e-12 -5.72992014e-12 -4.17672674e-12  9.36350127e-49
  4.72578652e-48  1.46968534e-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