element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:48       77.493071        83.782418
BFGS:    1 15:54:48       69.362328        78.897595
BFGS:    2 15:54:48       61.744493        75.129876
BFGS:    3 15:54:48       57.138014        83.789528
BFGS:    4 15:54:48       50.053163        78.296962
BFGS:    5 15:54:48       43.554716        73.592231
BFGS:    6 15:54:48       37.464404        69.153095
BFGS:    7 15:54:48       31.752337        64.954994
BFGS:    8 15:54:48       26.394687        60.981904
BFGS:    9 15:54:48       21.370595        57.220365
BFGS:   10 15:54:48       16.661161        53.658436
BFGS:   11 15:54:48       12.248944        50.285231
BFGS:   12 15:54:48        8.117678        47.090679
BFGS:   13 15:54:48        4.252095        44.065380
BFGS:   14 15:54:48        0.637816        41.200510
BFGS:   15 15:54:48       -2.738735        38.487756
BFGS:   16 15:54:48       -5.890392        35.919277
BFGS:   17 15:54:48       -8.829299        33.487659
BFGS:   18 15:54:48      -11.566956        31.185890
BFGS:   19 15:54:48      -14.114252        29.007332
BFGS:   20 15:54:48      -16.481505        26.945699
BFGS:   21 15:54:48      -18.678493        24.995038
BFGS:   22 15:54:48      -20.714483        23.149704
BFGS:   23 15:54:48      -22.598256        21.404350
BFGS:   24 15:54:48      -24.338139        19.753906
BFGS:   25 15:54:48      -25.942021        18.193568
BFGS:   26 15:54:48      -27.417383        16.718778
BFGS:   27 15:54:48      -28.771316        15.325215
BFGS:   28 15:54:48      -30.010541        14.008783
BFGS:   29 15:54:48      -31.141430        12.765596
BFGS:   30 15:54:48      -32.170021        11.591968
BFGS:   31 15:54:48      -33.102040        10.484405
BFGS:   32 15:54:48      -33.942912         9.439590
BFGS:   33 15:54:48      -34.697778         8.454378
BFGS:   34 15:54:48      -35.371513         7.525784
BFGS:   35 15:54:48      -35.968732         6.650976
BFGS:   36 15:54:48      -36.493812         5.827262
BFGS:   37 15:54:48      -36.950894         5.052087
BFGS:   38 15:54:48      -37.343902         4.323018
BFGS:   39 15:54:48      -37.676550         3.637736
BFGS:   40 15:54:48      -37.952351         2.994016
BFGS:   41 15:54:48      -38.174624         2.389711
BFGS:   42 15:54:48      -38.346503         1.822705
BFGS:   43 15:54:48      -38.470933         1.290829
BFGS:   44 15:54:48      -38.550673         0.963909
BFGS:   45 15:54:48      -38.588265         0.689251
BFGS:   46 15:54:48      -38.592333         0.559352
BFGS:   47 15:54:48      -38.592938         0.509535
BFGS:   48 15:54:48      -38.595396         0.248175
BFGS:   49 15:54:48      -38.596770         0.099901
BFGS:   50 15:54:48      -38.597277         0.049256
BFGS:   51 15:54:48      -38.597366         0.044084
BFGS:   52 15:54:48      -38.597428         0.036265
BFGS:   53 15:54:48      -38.597555         0.048569
BFGS:   54 15:54:48      -38.597777         0.054268
BFGS:   55 15:54:48      -38.598021         0.040701
BFGS:   56 15:54:48      -38.598144         0.020537
BFGS:   57 15:54:48      -38.598166         0.004299
BFGS:   58 15:54:48      -38.598167         0.000237
BFGS:   59 15:54:48      -38.598167         0.000022
BFGS:   60 15:54:48      -38.598167         0.000001
BFGS:   61 15:54:48      -38.598167         0.000000
BFGS:   62 15:54:48      -38.598167         0.000000
Minimization converged after 62 steps.
Maximum force component: 2.3083932543244154e-09 eV/Angstrom
Maximum stress component: 9.89763717060677e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [1.83866667e-33 9.16666667e-01 7.50454830e-01]
 [9.89471446e-36 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[3.156781199764771, 1.6107616039830457e-36, 0.0], [2.2853008540796862e-35, 5.467705426397839, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-9.64823937e-45 -2.30839325e-09  0.00000000e+00]
 [ 9.64823937e-45  2.30839325e-09  0.00000000e+00]
 [-9.64823937e-45 -2.30839325e-09  0.00000000e+00]
 [ 9.64823937e-45  2.30839325e-09  0.00000000e+00]
 [-9.64823937e-45 -2.30839325e-09  0.00000000e+00]
 [ 9.64823937e-45  2.30839325e-09  0.00000000e+00]
 [-9.64823937e-45 -2.30839325e-09  0.00000000e+00]
 [ 9.64823937e-45  2.30839325e-09  0.00000000e+00]]
stress =  [-9.89763717e-11 -1.09562081e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00  1.42823892e-33]
energy per atom =  -4.824770869359898
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_aP2_2_i. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.