element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:21:46      -29.446772        0.2239
BFGS:    1 15:21:46      -29.448036        0.1712
BFGS:    2 15:21:46      -29.449805        0.0016
BFGS:    3 15:21:46      -29.449805        0.0000
BFGS:    4 15:21:46      -29.449805        0.0000
Minimization converged after 4 steps.
Maximum force component: 1.6167485483755124e-31 eV/Angstrom
Maximum stress component: 6.20325230536027e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[3.06118321e-41 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.36886463e-38 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.459366721319604, 5.031828007626569e-19, -4.270694830208372e-41], [-1.229683360659802, 2.1298740578848205, -5.878115750616967e-41], [2.479098351981113e-40, 1.1749143934785058e-39, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.61674855e-31 -3.30784366e-50  2.80748682e-72]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 6.20325231e-11  6.20325231e-11 -5.15297363e-60 -1.13032550e-37
 -1.95778119e-37 -1.63519653e-26]
energy per atom =  -7.362451307210781
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0