element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:41:32      -56.715305         4.415739
BFGS:    1 09:41:32      -57.052859         2.145701
BFGS:    2 09:41:32      -57.142360         1.155659
BFGS:    3 09:41:32      -57.173854         0.446669
BFGS:    4 09:41:32      -57.180766         0.432985
BFGS:    5 09:41:32      -57.214777         0.329295
BFGS:    6 09:41:32      -57.234003         0.270762
BFGS:    7 09:41:32      -57.239470         0.173066
BFGS:    8 09:41:32      -57.240273         0.160830
BFGS:    9 09:41:32      -57.242197         0.154719
BFGS:   10 09:41:32      -57.243836         0.207931
BFGS:   11 09:41:32      -57.245548         0.148802
BFGS:   12 09:41:32      -57.246023         0.045444
BFGS:   13 09:41:32      -57.246112         0.036605
BFGS:   14 09:41:32      -57.246152         0.030206
BFGS:   15 09:41:32      -57.246214         0.030707
BFGS:   16 09:41:32      -57.246252         0.020911
BFGS:   17 09:41:32      -57.246263         0.005577
BFGS:   18 09:41:32      -57.246264         0.000448
BFGS:   19 09:41:32      -57.246264         0.000032
BFGS:   20 09:41:32      -57.246264         0.000003
BFGS:   21 09:41:32      -57.246264         0.000000
BFGS:   22 09:41:32      -57.246264         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.476250945066184e-09 eV/Angstrom
Maximum stress component: 7.696901446969513e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90630605e-01 3.00338807e-36 3.69435897e-36]
 [4.09369395e-01 1.90224373e-35 9.62731254e-36]
 [9.06306048e-02 5.00000000e-01 6.76497035e-36]
 [9.09369395e-01 5.00000000e-01 1.20135523e-35]
 [6.93555650e-01 0.00000000e+00 5.00000000e-01]
 [3.06444350e-01 0.00000000e+00 5.00000000e-01]
 [1.93555650e-01 5.00000000e-01 5.00000000e-01]
 [8.06444350e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.928173547728532, -3.237024897737551e-36, 0.0], [-6.937213845053426e-37, 2.6268350646532097, 0.0], [0.0, 0.0, 2.48688971625312]])
forces =  [[ 3.91529715e-10  2.42836815e-32  0.00000000e+00]
 [-3.91529715e-10 -1.61891210e-32  0.00000000e+00]
 [ 3.91529715e-10  3.23782420e-32  0.00000000e+00]
 [-3.91529715e-10 -1.61891210e-32  0.00000000e+00]
 [-1.47625095e-09  1.29512968e-31  0.00000000e+00]
 [ 1.47625095e-09 -1.29512968e-31  0.00000000e+00]
 [-1.47625095e-09  6.47564840e-32  0.00000000e+00]
 [ 1.47625095e-09 -6.47564840e-32  0.00000000e+00]]
stress =  [ 7.69690145e-11  6.40358465e-11 -5.53368856e-11  0.00000000e+00
  0.00000000e+00  2.36741556e-33]
energy per atom =  -7.1557830212019
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0