element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:54:55     -117.530448         0.445206
BFGS:    1 10:54:56     -117.537968         0.277568
BFGS:    2 10:54:56     -117.541450         0.137471
BFGS:    3 10:54:57     -117.542756         0.100494
BFGS:    4 10:54:57     -117.543564         0.096084
BFGS:    5 10:54:58     -117.543859         0.088053
BFGS:    6 10:54:58     -117.544369         0.074760
BFGS:    7 10:54:59     -117.545601         0.106980
BFGS:    8 10:54:59     -117.546279         0.081534
BFGS:    9 10:55:00     -117.546485         0.022533
BFGS:   10 10:55:01     -117.546499         0.002175
BFGS:   11 10:55:01     -117.546499         0.001421
BFGS:   12 10:55:02     -117.546499         0.001416
BFGS:   13 10:55:03     -117.546500         0.001142
BFGS:   14 10:55:03     -117.546500         0.000883
BFGS:   15 10:55:04     -117.546500         0.000386
BFGS:   16 10:55:04     -117.546500         0.000078
BFGS:   17 10:55:05     -117.546500         0.000006
BFGS:   18 10:55:05     -117.546500         0.000000
BFGS:   19 10:55:06     -117.546500         0.000000
BFGS:   20 10:55:07     -117.546500         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.1900961095591e-10 eV/Angstrom
Maximum stress component: 4.133397884505004e-11 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 =  [[0.00000000e+00 2.49438639e-35 4.68750000e-02]
 [9.81942242e-36 6.55149742e-36 5.46875000e-01]
 [0.00000000e+00 0.00000000e+00 9.53125000e-01]
 [0.00000000e+00 0.00000000e+00 4.53125000e-01]
 [3.33333333e-01 6.66666667e-01 7.81250000e-02]
 [6.66666667e-01 3.33333333e-01 5.78125000e-01]
 [6.66666667e-01 3.33333333e-01 9.21875000e-01]
 [3.33333333e-01 6.66666667e-01 4.21875000e-01]
 [3.33333333e-01 6.66666667e-01 1.71875000e-01]
 [6.66666667e-01 3.33333333e-01 6.71875000e-01]
 [6.66666667e-01 3.33333333e-01 8.28125000e-01]
 [3.33333333e-01 6.66666667e-01 3.28125000e-01]
 [3.33333333e-01 6.66666667e-01 7.96875000e-01]
 [6.66666667e-01 3.33333333e-01 2.96875000e-01]
 [6.66666667e-01 3.33333333e-01 2.03125000e-01]
 [3.33333333e-01 6.66666667e-01 7.03125000e-01]]
cellpar =  Cell([[2.5261863040644603, 1.662248000159011e-19, 3.760120693667566e-36], [-1.2630931520322302, 2.187741514012143, 7.534968351519484e-36], [2.5127915570076376e-35, 7.238569938090973e-35, 16.50097984030868]])
forces =  [[ 1.66067468e-31  9.60751684e-46  2.19009611e-10]
 [-3.32134936e-31  9.60718902e-46  2.19009611e-10]
 [ 1.24550601e-31 -2.15727969e-31 -2.19009611e-10]
 [-8.30337339e-32  2.87637292e-31 -2.19009611e-10]
 [ 4.98202404e-31 -5.75274584e-31 -7.99266404e-11]
 [-2.49101202e-31 -1.43818646e-31 -7.99266404e-11]
 [ 8.30337339e-32  1.43818646e-31  7.99266404e-11]
 [ 2.90618069e-31  3.50637439e-46  7.99266404e-11]
 [ 1.57764094e-30 -8.62911876e-31  1.10584499e-10]
 [-2.49101202e-31 -1.43818646e-31  1.10584499e-10]
 [-1.16247228e-30  2.87637292e-31 -1.10584499e-10]
 [ 9.13371073e-31  1.43818646e-31 -1.10584499e-10]
 [-1.66067468e-31  2.87637292e-31  1.11693688e-11]
 [ 6.85028305e-31 -1.79773307e-31  1.11693688e-11]
 [ 3.32134936e-31 -2.87637292e-31 -1.11693688e-11]
 [-4.98202404e-31 -1.43818646e-31 -1.11693688e-11]]
stress =  [-1.45635972e-12 -1.45635972e-12 -4.13339788e-11 -9.10507338e-33
 -3.15408994e-33 -2.58409322e-28]
energy per atom =  -7.346656256064835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.