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 17:46:45       -3.390493        0.2537
BFGS:    1 17:46:45       -3.393094        0.2249
BFGS:    2 17:46:45       -3.403165        0.0174
BFGS:    3 17:46:45       -3.403231        0.0013
BFGS:    4 17:46:45       -3.403232        0.0000
BFGS:    5 17:46:45       -3.403232        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0396020359600607e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.4577731569941035, -5.53758973863326e-33, -2.2014368980972274e-37], [-3.692045831664933e-33, 4.4577731569941035, 1.8105088801759576e-21], [2.404314415898533e-37, 1.8105088802782493e-21, 4.4577731569941035]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03960204e-10 -1.03960204e-10 -1.03960204e-10  5.29391034e-32
 -6.19296835e-64 -3.27531964e-59]
energy per atom =  -1.7016158691029122
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0