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 17:43:50      148.793407       371.936843
BFGS:    1 17:43:50       96.623245       301.781048
BFGS:    2 17:43:51       79.226314       297.858231
BFGS:    3 17:43:51       43.354385       237.780837
BFGS:    4 17:43:51       24.855630       200.745935
BFGS:    5 17:43:51       14.606930       192.531321
BFGS:    6 17:43:51       -2.974449       161.667028
BFGS:    7 17:43:51      -22.139002       131.891598
BFGS:    8 17:43:51      -37.517025       106.979885
BFGS:    9 17:43:52      -50.434898        84.738757
BFGS:   10 17:43:52      -60.339408        66.869456
BFGS:   11 17:43:52      -68.043973        51.947108
BFGS:   12 17:43:52      -73.883531        39.590602
BFGS:   13 17:43:52      -78.222486        29.358436
BFGS:   14 17:43:52      -81.328069        20.953823
BFGS:   15 17:43:52      -83.431510        14.009634
BFGS:   16 17:43:52      -84.732240         8.311247
BFGS:   17 17:43:52      -85.397593         3.688928
BFGS:   18 17:43:53      -85.574292         0.713486
BFGS:   19 17:43:53      -85.584598         0.992544
BFGS:   20 17:43:53      -85.591638         1.033374
BFGS:   21 17:43:53      -85.600313         0.725148
BFGS:   22 17:43:53      -85.604098         0.257998
BFGS:   23 17:43:53      -85.604796         0.123756
BFGS:   24 17:43:53      -85.604879         0.084323
BFGS:   25 17:43:53      -85.604904         0.076401
BFGS:   26 17:43:53      -85.604946         0.049392
BFGS:   27 17:43:53      -85.604987         0.024659
BFGS:   28 17:43:53      -85.605012         0.010906
BFGS:   29 17:43:54      -85.605018         0.006983
BFGS:   30 17:43:54      -85.605019         0.001841
BFGS:   31 17:43:54      -85.605019         0.000248
BFGS:   32 17:43:54      -85.605019         0.000059
BFGS:   33 17:43:54      -85.605019         0.000006
BFGS:   34 17:43:54      -85.605019         0.000000
BFGS:   35 17:43:54      -85.605019         0.000000
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.