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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 14:15:38       -0.686483        0.5254
BFGS:    1 14:15:38       -0.697705        0.4721
BFGS:    2 14:15:38       -0.720192        0.3176
BFGS:    3 14:15:38       -0.725564        0.1057
BFGS:    4 14:15:38       -0.726488        0.0151
BFGS:    5 14:15:38       -0.726509        0.0055
BFGS:    6 14:15:38       -0.726510        0.0038
BFGS:    7 14:15:38       -0.726511        0.0000
BFGS:    8 14:15:38       -0.726511        0.0000
BFGS:    9 14:15:38       -0.726511        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.379326541090679e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.350943450097698, 2.01374859769088e-34, -1.970153154169919e-32], [-6.542280522870323e-33, 3.350943450097698, 8.88020703767872e-18], [1.4960034029795765e-32, 8.880207037678697e-18, 3.350943450097698]])
forces =  [[0. 0. 0.]]
stress =  [-4.37932654e-15 -4.37932654e-15 -4.37932654e-15  5.63928877e-31
  1.42930542e-36  8.38835864e-55]
energy per atom =  -0.7265108575984196
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0