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_1959HighCutoff_Ca__MO_159753408472_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       -3.696032         0.096664
BFGS:    1 15:59:55       -3.696412         0.086731
BFGS:    2 15:59:55       -3.698088         0.005359
BFGS:    3 15:59:55       -3.698094         0.000001
BFGS:    4 15:59:55       -3.698094         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.126183113243037e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.413383425862926, 9.346825562300315e-34, -1.0989520359472256e-33], [1.3987185821441917e-33, 4.413383425862926, 4.105434583671226e-20], [-5.662112929458039e-34, 4.105434583681133e-20, 4.413383425862926]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.12618311e-11 -5.12618311e-11 -5.12618311e-11 -2.73536396e-27
 -2.63673144e-34  2.16473784e-50]
energy per atom =  -1.8490469482464544
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0