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 15:28:30      -29.446772         0.223862
BFGS:    1 15:28:30      -29.448036         0.171226
BFGS:    2 15:28:30      -29.449805         0.001565
BFGS:    3 15:28:30      -29.449805         0.000011
BFGS:    4 15:28:30      -29.449805         0.000000
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 =  [[0.00000000e+00 6.28995486e-41 2.50000000e-01]
 [1.91323950e-41 0.00000000e+00 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, 2.134370200815712e-18, -2.8182152461246012e-42], [-1.229683360659802, 2.1298740578848205, -1.1272862171871892e-41], [4.068622576706267e-37, 2.1139745792274684e-36, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.61674855e-31 -1.40310101e-49  1.85264986e-73]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 6.20325231e-11  6.20325231e-11 -9.07684084e-57 -5.65162748e-38
 -9.78890594e-38 -1.70782979e-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