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_1959MedCutoff_Ca__MO_562200212426_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 10:41:45       -1.468376         0.532124
BFGS:    1 10:41:45       -1.479205         0.418887
BFGS:    2 10:41:45       -1.498936         0.064952
BFGS:    3 10:41:45       -1.499512         0.009934
BFGS:    4 10:41:45       -1.499527         0.000299
BFGS:    5 10:41:45       -1.499527         0.000001
BFGS:    6 10:41:45       -1.499527         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.4703734595389265e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.6500987035541264, -6.197607863812374e-33, -1.1181092694628467e-32], [-2.1320721207094222e-33, 3.6500987035541264, -4.252311760517961e-19], [-1.2912909311645185e-32, -4.252311760518101e-19, 3.6500987035541264]])
forces =  [[0. 0. 0.]]
stress =  [-4.47037346e-12 -4.47037346e-12 -4.47037346e-12 -1.89962968e-28
 -3.01154968e-37 -6.75772771e-54]
energy per atom =  -1.4995265451683288
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0