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 17:31:19       -0.686483         0.525412
BFGS:    1 17:31:19       -0.697705         0.472129
BFGS:    2 17:31:19       -0.720192         0.317565
BFGS:    3 17:31:19       -0.725564         0.105723
BFGS:    4 17:31:19       -0.726488         0.015150
BFGS:    5 17:31:19       -0.726509         0.005497
BFGS:    6 17:31:19       -0.726510         0.003815
BFGS:    7 17:31:19       -0.726511         0.000012
BFGS:    8 17:31:19       -0.726511         0.000000
BFGS:    9 17:31:19       -0.726511         0.000000
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, 2.1204375684126798e-32, -7.78892192142431e-33], [2.1665096577104837e-32, 3.350943450097698, 9.612561574194393e-18], [1.7055818031345626e-33, 9.61256157419438e-18, 3.350943450097698]])
forces =  [[0. 0. 0.]]
stress =  [-4.37932654e-15 -4.37932654e-15 -4.37932654e-15 -3.41007961e-32
  1.42930542e-36  5.91874815e-54]
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