element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:39      -82.822126         4.954408
BFGS:    1 15:55:39      -83.459628         3.673601
BFGS:    2 15:55:39      -84.612361         3.421387
BFGS:    3 15:55:39      -85.177811         3.327070
BFGS:    4 15:55:39      -85.666428         3.168832
BFGS:    5 15:55:39      -86.117463         2.985502
BFGS:    6 15:55:39      -86.537781         2.792362
BFGS:    7 15:55:39      -86.928959         2.596936
BFGS:    8 15:55:39      -87.291632         2.403204
BFGS:    9 15:55:39      -87.626389         2.213331
BFGS:   10 15:55:39      -87.933925         2.028523
BFGS:   11 15:55:39      -88.215037         1.849472
BFGS:   12 15:55:39      -88.470598         1.676600
BFGS:   13 15:55:39      -88.701532         1.510193
BFGS:   14 15:55:39      -88.908808         1.350477
BFGS:   15 15:55:39      -89.093486         1.198349
BFGS:   16 15:55:39      -89.256803         1.054739
BFGS:   17 15:55:39      -89.399999         0.919766
BFGS:   18 15:55:39      -89.524333         0.793430
BFGS:   19 15:55:39      -89.631084         0.675663
BFGS:   20 15:55:39      -89.721543         0.566352
BFGS:   21 15:55:39      -89.797020         0.465340
BFGS:   22 15:55:39      -89.858859         0.372404
BFGS:   23 15:55:39      -89.908438         0.306659
BFGS:   24 15:55:39      -89.947180         0.312144
BFGS:   25 15:55:39      -89.976524         0.316717
BFGS:   26 15:55:39      -89.997870         0.314380
BFGS:   27 15:55:39      -90.012456         0.292447
BFGS:   28 15:55:39      -90.020978         0.227434
BFGS:   29 15:55:39      -90.026079         0.157666
BFGS:   30 15:55:39      -90.032792         0.025741
BFGS:   31 15:55:39      -90.033346         0.003700
BFGS:   32 15:55:39      -90.033362         0.000069
BFGS:   33 15:55:39      -90.033362         0.000001
BFGS:   34 15:55:39      -90.033362         0.000000
BFGS:   35 15:55:39      -90.033362         0.000000
Minimization converged after 35 steps.
Maximum force component: 9.63489781613538e-12 eV/Angstrom
Maximum stress component: 2.2673742145146548e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.16310753 0.16310753 0.16310753]
 [0.83689247 0.83689247 0.16310753]
 [0.83689247 0.16310753 0.83689247]
 [0.16310753 0.83689247 0.83689247]
 [0.16310753 0.16310753 0.83689247]
 [0.83689247 0.83689247 0.83689247]
 [0.16310753 0.83689247 0.16310753]
 [0.83689247 0.16310753 0.16310753]
 [0.66310753 0.66310753 0.66310753]
 [0.33689247 0.33689247 0.66310753]
 [0.33689247 0.66310753 0.33689247]
 [0.66310753 0.33689247 0.33689247]
 [0.66310753 0.66310753 0.33689247]
 [0.33689247 0.33689247 0.33689247]
 [0.66310753 0.33689247 0.66310753]
 [0.33689247 0.66310753 0.66310753]]
cellpar =  Cell([[5.29390294221576, 4.8341014951363863e-32, 1.24172218011315e-32], [2.4543713716387227e-32, 5.29390294221576, -1.3259145415216224e-17], [6.11117255655703e-32, -1.3259145415216274e-17, 5.29390294221576]])
forces =  [[-9.63489782e-12 -9.63489782e-12 -9.63489782e-12]
 [ 9.63489782e-12  9.63489782e-12 -9.63489782e-12]
 [ 9.63489782e-12 -9.63489782e-12  9.63489782e-12]
 [-9.63489782e-12  9.63489782e-12  9.63489782e-12]
 [-9.63489782e-12 -9.63489782e-12  9.63489782e-12]
 [ 9.63489782e-12  9.63489782e-12  9.63489782e-12]
 [-9.63489782e-12  9.63489782e-12 -9.63489782e-12]
 [ 9.63489782e-12 -9.63489782e-12 -9.63489782e-12]
 [-9.63489782e-12 -9.63489782e-12 -9.63489782e-12]
 [ 9.63489782e-12  9.63489782e-12 -9.63489782e-12]
 [ 9.63489782e-12 -9.63489782e-12  9.63489782e-12]
 [-9.63489782e-12  9.63489782e-12  9.63489782e-12]
 [-9.63489782e-12 -9.63489782e-12  9.63489782e-12]
 [ 9.63489782e-12  9.63489782e-12  9.63489782e-12]
 [-9.63489782e-12  9.63489782e-12 -9.63489782e-12]
 [ 9.63489782e-12 -9.63489782e-12 -9.63489782e-12]]
stress =  [-2.26737421e-12 -2.26737421e-12 -2.26737421e-12  1.45339419e-28
 -2.34567175e-33  4.96059388e-49]
energy per atom =  -5.627085133875686
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0