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 14:18:27     -138.525133        1.5109
BFGS:    1 14:18:27     -138.565455        1.0196
BFGS:    2 14:18:27     -138.635763        0.3519
BFGS:    3 14:18:27     -138.643402        0.3421
BFGS:    4 14:18:27     -138.658859        0.3003
BFGS:    5 14:18:27     -138.684074        0.3769
BFGS:    6 14:18:27     -138.705076        0.2934
BFGS:    7 14:18:27     -138.714224        0.1225
BFGS:    8 14:18:27     -138.715822        0.0383
BFGS:    9 14:18:27     -138.716021        0.0194
BFGS:   10 14:18:27     -138.716077        0.0116
BFGS:   11 14:18:27     -138.716087        0.0026
BFGS:   12 14:18:27     -138.716088        0.0002
BFGS:   13 14:18:27     -138.716088        0.0000
BFGS:   14 14:18:27     -138.716088        0.0000
BFGS:   15 14:18:27     -138.716088        0.0000
BFGS:   16 14:18:27     -138.716088        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.663351797981765e-09 eV/Angstrom
Maximum stress component: 2.491944884433449e-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([[5.256317588527582, 6.633353610228597e-33, 7.372072250219369e-34], [6.824085206905151e-33, 5.256317588527582, -2.419489061247013e-19], [-7.551179616559464e-34, -2.419489061247004e-19, 5.256317588527582]])
forces =  [[-3.66335180e-09 -3.66335180e-09 -3.66335180e-09]
 [ 3.66335180e-09  3.66335180e-09 -3.66335180e-09]
 [ 3.66335180e-09 -3.66335180e-09  3.66335180e-09]
 [-3.66335180e-09  3.66335180e-09  3.66335180e-09]
 [-3.66335180e-09 -3.66335180e-09  3.66335180e-09]
 [ 3.66335180e-09  3.66335180e-09  3.66335180e-09]
 [-3.66335180e-09  3.66335180e-09 -3.66335180e-09]
 [ 3.66335180e-09 -3.66335180e-09 -3.66335180e-09]
 [ 3.73312949e-42  3.23325426e-09  3.23325426e-09]
 [ 1.72770977e-31 -3.23325426e-09  3.23325426e-09]
 [ 4.66210242e-42  3.23325426e-09 -3.23325426e-09]
 [-1.72770977e-31 -3.23325426e-09 -3.23325426e-09]
 [ 3.23325426e-09 -1.48913453e-28  3.23325426e-09]
 [ 3.23325426e-09  1.48999838e-28 -3.23325426e-09]
 [-3.23325426e-09 -1.48827067e-28  3.23325426e-09]
 [-3.23325426e-09  1.48654296e-28 -3.23325426e-09]
 [ 3.23325426e-09  3.23325426e-09 -1.48827067e-28]
 [-3.23325426e-09  3.23325426e-09 -1.48654296e-28]
 [ 3.23325426e-09 -3.23325426e-09  1.48827067e-28]
 [-3.23325426e-09 -3.23325426e-09  1.48654296e-28]]
stress =  [-2.49194488e-10 -2.49194488e-10 -2.49194488e-10  6.65986656e-29
  3.46493911e-59  1.68734926e-59]
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