element(s):
['Ce']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2971', '1.8039186', '1.7323102', '0.12463338']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce']
representative atom coordinates =  [[0.         0.12463338 0.25      ]]
spacegroup =  63
cell =  [[3.2971, 0, 0], [0, 5.9477, 0], [0, 0, 5.7116]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:34:35      148.793407      371.9368
BFGS:    1 16:34:35       96.623245      301.7810
BFGS:    2 16:34:35       79.226314      297.8582
BFGS:    3 16:34:35       43.354385      237.7808
BFGS:    4 16:34:35       24.855630      200.7459
BFGS:    5 16:34:35       14.606930      192.5313
BFGS:    6 16:34:35       -2.974449      161.6670
BFGS:    7 16:34:35      -22.139002      131.8916
BFGS:    8 16:34:35      -37.517025      106.9799
BFGS:    9 16:34:35      -50.434898       84.7388
BFGS:   10 16:34:35      -60.339408       66.8695
BFGS:   11 16:34:35      -68.043973       51.9471
BFGS:   12 16:34:35      -73.883531       39.5906
BFGS:   13 16:34:35      -78.222486       29.3584
BFGS:   14 16:34:35      -81.328069       20.9538
BFGS:   15 16:34:35      -83.431510       14.0096
BFGS:   16 16:34:35      -84.732240        8.3112
BFGS:   17 16:34:35      -85.397593        3.6889
BFGS:   18 16:34:35      -85.574292        0.7135
BFGS:   19 16:34:35      -85.584598        0.9925
BFGS:   20 16:34:35      -85.591638        1.0334
BFGS:   21 16:34:35      -85.600313        0.7251
BFGS:   22 16:34:35      -85.604098        0.2580
BFGS:   23 16:34:35      -85.604796        0.1238
BFGS:   24 16:34:35      -85.604879        0.0843
BFGS:   25 16:34:35      -85.604904        0.0764
BFGS:   26 16:34:35      -85.604946        0.0494
BFGS:   27 16:34:35      -85.604987        0.0247
BFGS:   28 16:34:35      -85.605012        0.0109
BFGS:   29 16:34:35      -85.605018        0.0070
BFGS:   30 16:34:35      -85.605019        0.0018
BFGS:   31 16:34:35      -85.605019        0.0002
BFGS:   32 16:34:35      -85.605019        0.0001
BFGS:   33 16:34:35      -85.605019        0.0000
BFGS:   34 16:34:35      -85.605019        0.0000
BFGS:   35 16:34:35      -85.605019        0.0000
Minimization converged after 35 steps.
Maximum force component: 6.607775956454365e-09 eV/Angstrom
Maximum stress component: 2.54908015588336e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce', 'Ce', 'Ce']
basis =  [[0.         0.16666667 0.25      ]
 [0.         0.83333333 0.75      ]
 [0.5        0.66666667 0.25      ]
 [0.5        0.33333333 0.75      ]]
cellpar =  Cell([[3.9680612367447536, 1.639295230013194e-35, 0.0], [-3.214447813358515e-34, 6.872883670163515, 0.0], [0.0, 0.0, 6.479946125469463]])
forces =  [[ 9.78202618e-32  6.60777596e-09  0.00000000e+00]
 [-9.78202618e-32 -6.60777596e-09  0.00000000e+00]
 [ 6.34303260e-32  6.60777596e-09  0.00000000e+00]
 [-2.44550655e-32 -6.60777596e-09  0.00000000e+00]]
stress =  [-1.76931900e-10 -8.07122606e-11 -2.54908016e-10  0.00000000e+00
  0.00000000e+00 -4.51963227e-34]
energy per atom =  -21.401254754428198
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.