element(s):
['Ca']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5035']
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 =  221
cell =  [[3.5035, 0, 0], [0, 3.5035, 0], [0, 0, 3.5035]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:15:27       -1.491855        0.5044
BFGS:    1 14:15:27       -1.501608        0.3991
BFGS:    2 14:15:27       -1.519829        0.0604
BFGS:    3 14:15:27       -1.520332        0.0087
BFGS:    4 14:15:27       -1.520343        0.0002
BFGS:    5 14:15:27       -1.520343        0.0000
BFGS:    6 14:15:27       -1.520343        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6371414556419023e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.6445673445811293, 4.907734482290337e-33, -4.850785391134283e-34], [3.627045837853715e-33, 3.6445673445811293, -2.936190006453058e-18], [-1.4374637097586751e-33, -2.936190006453063e-18, 3.6445673445811293]])
forces =  [[0. 0. 0.]]
stress =  [-2.63714146e-12 -2.63714146e-12 -2.63714146e-12 -2.10506088e-28
 -1.32014969e-60  8.95593769e-61]
energy per atom =  -1.520343102150762
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0