element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:31      -29.370085        0.4671
BFGS:    1 15:24:31      -29.373582        0.3757
BFGS:    2 15:24:31      -29.380512        0.2382
BFGS:    3 15:24:31      -29.386601        0.0375
BFGS:    4 15:24:31      -29.386622        0.0051
BFGS:    5 15:24:31      -29.386623        0.0043
BFGS:    6 15:24:31      -29.386625        0.0032
BFGS:    7 15:24:31      -29.386625        0.0013
BFGS:    8 15:24:31      -29.386625        0.0001
BFGS:    9 15:24:31      -29.386625        0.0000
BFGS:   10 15:24:31      -29.386625        0.0000
BFGS:   11 15:24:31      -29.386625        0.0000
Minimization converged after 11 steps.
Maximum force component: 6.705112729371676e-09 eV/Angstrom
Maximum stress component: 2.1130496247454418e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.5261863041053068, 2.4156118708815227e-18, -3.178240509692296e-38], [-1.2630931520526534, 2.1877415140475174, 1.644377228583555e-37], [-1.564831867924996e-36, -4.675008513039513e-36, 4.125244960147276]])
forces =  [[-4.98202404e-31 -2.87637292e-31 -6.70511273e-09]
 [-6.22753005e-31  5.03365261e-31 -6.70511273e-09]
 [-4.98202404e-31  2.87637292e-31  6.70511273e-09]
 [ 7.87523070e-31 -7.88755386e-31  6.70511273e-09]]
stress =  [ 2.11304962e-10  2.11304962e-10 -1.48763244e-11 -7.28405870e-33
  6.38663862e-47  7.32249363e-26]
energy per atom =  -7.346656256065102
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0