element(s):
['Ce']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8743']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.8743, 0, 0], [0, 4.8743, 0], [0, 0, 4.8743]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:49:58       67.737917      268.8614
BFGS:    1 16:49:58       31.551578      215.3827
BFGS:    2 16:49:58        2.641832      171.6058
BFGS:    3 16:49:58      -20.307726      135.5753
BFGS:    4 16:49:58      -38.354056      106.0191
BFGS:    5 16:49:58      -52.382219       81.8195
BFGS:    6 16:49:58      -63.117630       61.9825
BFGS:    7 16:49:58      -71.157850       45.7676
BFGS:    8 16:49:58      -77.011026       32.6450
BFGS:    9 16:49:58      -81.072377       21.8795
BFGS:   10 16:49:58      -83.676706       13.1531
BFGS:   11 16:49:58      -85.102435        6.1112
BFGS:   12 16:49:58      -85.563752        1.1368
BFGS:   13 16:49:58      -85.582478        0.1297
BFGS:   14 16:49:58      -85.582733        0.0033
BFGS:   15 16:49:59      -85.582733        0.0000
BFGS:   16 16:49:59      -85.582733        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9230478452609814e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.55476573e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.611073011905592, 1.9419874426143956e-32, -3.2567414156440297e-32], [6.756342672705396e-34, 5.611073011905592, -3.6288904749104416e-17], [-7.077621728180223e-32, -3.6288904749104373e-17, 5.611073011905592]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.92304785e-11 -1.92304785e-11 -1.92304785e-11 -3.99822451e-27
  1.33115162e-59 -2.17046842e-60]
energy per atom =  -21.395683238829314
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0