element(s):
['Ca']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7384', '0.93031778']
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 =  191
cell =  [[3.7384, 0, 0], [-1.8692, 3.2375493695077, 0], [0, 0, 3.4779]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:36:06       -0.738077        0.9542
BFGS:    1 14:36:06       -0.766685        0.9296
BFGS:    2 14:36:06       -0.852777        0.5488
BFGS:    3 14:36:06       -0.852724        0.8380
BFGS:    4 14:36:06       -0.869539        0.1706
BFGS:    5 14:36:06       -0.870780        0.0389
BFGS:    6 14:36:06       -0.870856        0.0089
BFGS:    7 14:36:06       -0.870858        0.0063
BFGS:    8 14:36:06       -0.870859        0.0012
BFGS:    9 14:36:06       -0.870859        0.0001
BFGS:   10 14:36:06       -0.870859        0.0000
BFGS:   11 14:36:06       -0.870859        0.0000
BFGS:   12 14:36:06       -0.870859        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6510598203574623e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.3997803231173975, 1.9435636286288058e-16, -2.4355651578466457e-36], [-1.6998901615586988, 2.944296127106133, -1.615085632499177e-36], [-7.125247173845685e-35, -2.007048460518182e-34, 3.327870673674189]])
forces =  [[0. 0. 0.]]
stress =  [-3.43887901e-11 -3.43887901e-11 -1.65105982e-10  1.10047980e-44
  3.73108503e-45  3.05757081e-26]
energy per atom =  -0.8708587179681648
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0