element(s):
['Ca']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3822']
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 =  229
cell =  [[4.3822, 0, 0], [0, 4.3822, 0], [0, 0, 4.3822]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:59:55       -3.647564         0.119809
BFGS:    1 15:59:55       -3.648147         0.107264
BFGS:    2 15:59:55       -3.650569         0.004332
BFGS:    3 15:59:55       -3.650573         0.000166
BFGS:    4 15:59:55       -3.650573         0.000000
BFGS:    5 15:59:55       -3.650573         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.018418982875647e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.419419932830403, 3.3304060358781544e-36, -7.044299526937054e-33], [3.721314501623061e-33, 4.419419932830403, -4.91344599936107e-19], [-7.227485771123769e-33, -4.913445999360076e-19, 4.419419932830403]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.01841898e-13 -4.01841898e-13 -4.01841898e-13 -3.86242218e-29
  1.31566041e-35 -1.20350157e-51]
energy per atom =  -1.8252864878889008
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0