element(s):
['I', 'Li']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5674', '1.6257608', '0.875439', '0.499561']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Li']
representative atom coordinates =  [[0.33333333 0.66666667 0.375439  ]
 [0.33333333 0.66666667 0.999561  ]]
spacegroup =  186
cell =  [[4.5674, 0, 0], [-2.2837, 3.955484429245, 0], [0, 0, 7.4255]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:46:12      -13.622509        3.9991
BFGS:    1 15:46:12      -14.197381        3.8735
BFGS:    2 15:46:12      -14.744743        3.6335
BFGS:    3 15:46:12      -15.244233        3.2771
BFGS:    4 15:46:12      -15.673760        2.7495
BFGS:    5 15:46:12      -16.004543        2.0252
BFGS:    6 15:46:12      -16.205915        1.0818
BFGS:    7 15:46:12      -16.251857        0.4209
BFGS:    8 15:46:12      -16.257288        0.2418
BFGS:    9 15:46:12      -16.259451        0.2872
BFGS:   10 15:46:12      -16.287379        0.3394
BFGS:   11 15:46:12      -16.361437        0.9961
BFGS:   12 15:46:12      -16.397114        1.8245
BFGS:   13 15:46:12      -16.516949        1.6603
BFGS:   14 15:46:12      -16.637322        1.4774
BFGS:   15 15:46:12      -16.770283        1.4114
BFGS:   16 15:46:12      -16.925800        1.4763
BFGS:   17 15:46:12      -17.114760        1.6428
BFGS:   18 15:46:12      -17.346038        1.9134
BFGS:   19 15:46:12      -17.624582        2.2779
BFGS:   20 15:46:12      -17.950999        2.6654
BFGS:   21 15:46:12      -18.325650        3.0643
BFGS:   22 15:46:12      -18.745144        3.4483
BFGS:   23 15:46:12      -19.202900        3.7239
BFGS:   24 15:46:12      -19.690489        3.8547
BFGS:   25 15:46:12      -20.185880        3.6305
BFGS:   26 15:46:12      -20.653057        2.8428
BFGS:   27 15:46:12      -21.010175        1.2824
BFGS:   28 15:46:12      -21.044958        2.4808
BFGS:   29 15:46:12      -21.095082        0.3753
BFGS:   30 15:46:12      -21.097882        0.2035
BFGS:   31 15:46:12      -21.098697        0.1221
BFGS:   32 15:46:12      -21.099104        0.0912
BFGS:   33 15:46:12      -21.099196        0.0216
BFGS:   34 15:46:12      -21.099200        0.0020
BFGS:   35 15:46:12      -21.099201        0.0001
BFGS:   36 15:46:12      -21.099201        0.0000
BFGS:   37 15:46:12      -21.099201        0.0000
BFGS:   38 15:46:12      -21.099201        0.0000
Minimization converged after 38 steps.
Maximum force component: 1.3330493701892066e-09 eV/Angstrom
Maximum stress component: 9.773182395735962e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'Li', 'Li']
basis =  [[0.33333333 0.66666667 0.4375    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.9375    ]
 [0.66666666 0.33333334 0.4375    ]]
cellpar =  Cell([[4.426965006131993, 1.7986304346925026e-17, -1.402189124899527e-35], [-2.2134825030659964, 3.8338641569750385, -1.8916105676888486e-35], [-3.7517573542411675e-35, 1.9568947799624796e-35, 5.13648731727147]])
forces =  [[ 7.27554088e-32 -1.26016065e-31  1.33304937e-09]
 [ 7.27554088e-32 -1.26016065e-31  1.33304937e-09]
 [ 1.16408654e-30 -5.07390910e-45 -1.33304883e-09]
 [-1.45510818e-31  2.52032129e-31 -1.33304883e-09]]
stress =  [ 6.21875717e-12  6.21875717e-12  9.77318240e-11  3.12959056e-34
 -1.80686995e-34  1.52883725e-27]
energy per atom =  -5.274800134401545
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.