element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:37:44     -138.525133         1.510875
BFGS:    1 16:37:44     -138.565455         1.019646
BFGS:    2 16:37:45     -138.635763         0.351896
BFGS:    3 16:37:45     -138.643402         0.342105
BFGS:    4 16:37:45     -138.658859         0.300322
BFGS:    5 16:37:45     -138.684074         0.376854
BFGS:    6 16:37:45     -138.705076         0.293374
BFGS:    7 16:37:45     -138.714224         0.122496
BFGS:    8 16:37:45     -138.715822         0.038303
BFGS:    9 16:37:45     -138.716021         0.019382
BFGS:   10 16:37:45     -138.716077         0.011627
BFGS:   11 16:37:45     -138.716087         0.002637
BFGS:   12 16:37:45     -138.716088         0.000226
BFGS:   13 16:37:45     -138.716088         0.000018
BFGS:   14 16:37:45     -138.716088         0.000002
BFGS:   15 16:37:45     -138.716088         0.000000
BFGS:   16 16:37:45     -138.716088         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.6633458029581324e-09 eV/Angstrom
Maximum stress component: 2.4919549718522953e-10 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', 'C', 'C', 'C', 'C']
basis =  [[0.26262931 0.26262931 0.26262931]
 [0.73737069 0.73737069 0.26262931]
 [0.73737069 0.26262931 0.73737069]
 [0.26262931 0.73737069 0.73737069]
 [0.26262931 0.26262931 0.73737069]
 [0.73737069 0.73737069 0.73737069]
 [0.26262931 0.73737069 0.26262931]
 [0.73737069 0.26262931 0.26262931]
 [0.5        0.15313851 0.15313851]
 [0.5        0.84686149 0.15313851]
 [0.5        0.15313851 0.84686149]
 [0.5        0.84686149 0.84686149]
 [0.15313851 0.5        0.15313851]
 [0.15313851 0.5        0.84686149]
 [0.84686149 0.5        0.15313851]
 [0.84686149 0.5        0.84686149]
 [0.15313851 0.15313851 0.5       ]
 [0.84686149 0.15313851 0.5       ]
 [0.15313851 0.84686149 0.5       ]
 [0.84686149 0.84686149 0.5       ]]
cellpar =  Cell([[5.2563175885275815, 2.718171295050546e-32, 2.4898188975347566e-32], [-2.5274057799656596e-32, 5.2563175885275815, 8.681524264572873e-19], [-1.415451017010919e-32, 8.681524264573357e-19, 5.2563175885275815]])
forces =  [[-3.66334580e-09 -3.66334580e-09 -3.66334580e-09]
 [ 3.66334580e-09  3.66334580e-09 -3.66334580e-09]
 [ 3.66334580e-09 -3.66334580e-09  3.66334580e-09]
 [-3.66334580e-09  3.66334580e-09  3.66334580e-09]
 [-3.66334580e-09 -3.66334580e-09  3.66334580e-09]
 [ 3.66334580e-09  3.66334580e-09  3.66334580e-09]
 [-3.66334580e-09  3.66334580e-09 -3.66334580e-09]
 [ 3.66334580e-09 -3.66334580e-09 -3.66334580e-09]
 [-2.42529250e-41  3.23321598e-09  3.23321598e-09]
 [ 6.83975016e-42 -3.23321598e-09  3.23321598e-09]
 [-6.83975016e-42  3.23321598e-09 -3.23321598e-09]
 [ 2.42529250e-41 -3.23321598e-09 -3.23321598e-09]
 [ 3.23321598e-09  5.34009647e-28  3.23321598e-09]
 [ 3.23321598e-09 -5.34009647e-28 -3.23321598e-09]
 [-3.23321598e-09  5.34009647e-28  3.23321598e-09]
 [-3.23321598e-09 -5.34009647e-28 -3.23321598e-09]
 [ 3.23321598e-09  3.23321598e-09  5.34009647e-28]
 [-3.23321598e-09  3.23321598e-09  5.34009647e-28]
 [ 3.23321598e-09 -3.23321598e-09 -5.34009647e-28]
 [-3.23321598e-09 -3.23321598e-09 -5.34009647e-28]]
stress =  [-2.49195497e-10 -2.49195497e-10 -2.49195497e-10  1.14419288e-25
 -8.92251445e-34  2.02291099e-49]
energy per atom =  -6.935804398663947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0