element(s):
['Ce']
AFLOW prototype label:
A_hP2_194_c
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:
['3.2365', '1.9351151']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.2365, 0, 0], [-1.61825, 2.8028912193483, 0], [0, 0, 6.263]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:03:13       92.129159       551.874611
BFGS:    1 18:03:13       45.435481       376.428818
BFGS:    2 18:03:13       36.752345       349.784475
BFGS:    3 18:03:13       10.170525       240.907038
BFGS:    4 18:03:13      -11.414955       158.598417
BFGS:    5 18:03:13      -24.868248       102.742394
BFGS:    6 18:03:13      -33.343879        64.135344
BFGS:    7 18:03:13      -38.427700        37.462417
BFGS:    8 18:03:13      -41.221628        19.220592
BFGS:    9 18:03:13      -42.486221         6.823784
BFGS:   10 18:03:13      -42.744558         2.660711
BFGS:   11 18:03:13      -42.787092         2.102254
BFGS:   12 18:03:13      -42.797378         1.275432
BFGS:   13 18:03:13      -42.801579         0.396801
BFGS:   14 18:03:13      -42.802429         0.107607
BFGS:   15 18:03:13      -42.802508         0.012704
BFGS:   16 18:03:13      -42.802510         0.001462
BFGS:   17 18:03:13      -42.802510         0.000041
BFGS:   18 18:03:13      -42.802510         0.000000
BFGS:   19 18:03:13      -42.802510         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.4119138628362068e-31 eV/Angstrom
Maximum stress component: 6.588637424167715e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.9680612369074577, -1.27919147966723e-16, -4.847970086941355e-35], [-1.9840306184537289, 3.4364418349341608, -1.4362859007466047e-34], [1.2627562507084322e-33, 4.513653593521319e-33, 6.479946125724685]])
forces =  [[-8.15168849e-32  1.41191386e-31 -5.90119685e-66]
 [ 8.15168849e-32 -1.41191386e-31  5.90119685e-66]]
stress =  [-6.58863742e-11 -6.58863742e-11  6.19592647e-11  1.03325339e-32
  2.55663910e-33  1.96438111e-26]
energy per atom =  -21.401254754428198
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0