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_1959LowCutoff_Ca__MO_887105884651_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 16:50:22       -3.390493         0.253666
BFGS:    1 16:50:22       -3.393094         0.224874
BFGS:    2 16:50:22       -3.403165         0.017358
BFGS:    3 16:50:22       -3.403231         0.001329
BFGS:    4 16:50:22       -3.403232         0.000009
BFGS:    5 16:50:22       -3.403232         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0396013529748005e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.457773156994104, 7.267315251414282e-33, 2.7244052295420497e-33], [-7.380730391179423e-33, 4.457773156994104, 1.3851086614228184e-18], [-1.5263916090883382e-33, 1.385108661422936e-18, 4.457773156994104]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03960135e-10 -1.03960135e-10 -1.03960135e-10 -2.79148221e-26
  5.16896134e-35  5.09267897e-52]
energy per atom =  -1.7016158691029126
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0