element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:28:57      -87.969989        0.3898
BFGS:    1 14:28:57      -87.974185        0.3635
BFGS:    2 14:28:57      -87.998517        0.1217
BFGS:    3 14:28:57      -88.001500        0.0035
BFGS:    4 14:28:57      -88.001504        0.0021
BFGS:    5 14:28:57      -88.001504        0.0014
BFGS:    6 14:28:57      -88.001505        0.0002
BFGS:    7 14:28:57      -88.001505        0.0000
BFGS:    8 14:28:57      -88.001505        0.0000
BFGS:    9 14:28:57      -88.001505        0.0000
BFGS:   10 14:28:57      -88.001505        0.0000
Minimization converged after 10 steps.
Maximum force component: 9.299068401305746e-10 eV/Angstrom
Maximum stress component: 6.161805368088761e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 8.03257726e-36 2.50000000e-01]
 [1.69206985e-35 1.08639347e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.451340860767764, 3.601417715060322e-18, 9.106103530327386e-40], [-1.225670430383882, 2.122923458759696, -4.2846606406403146e-41], [-1.771192393042718e-37, -5.5201654487136376e-37, 34.42599991844374]])
forces =  [[-1.00717030e-31 -3.48894025e-32 -2.63567872e-49]
 [-3.22294495e-31  2.79115220e-31 -6.54954111e-71]
 [ 1.00717030e-31  3.48894025e-32  2.63567872e-49]
 [ 3.22294495e-31 -2.79115220e-31  6.54954111e-71]
 [ 1.00717030e-30  4.88451635e-31 -9.29906840e-10]
 [ 4.03366792e-31  4.17809104e-31 -9.29906840e-10]
 [-1.00717030e-30 -4.88451635e-31  9.29906840e-10]
 [-4.03366792e-31 -4.17809104e-31  9.29906840e-10]
 [ 1.65175929e-30 -6.97788051e-32 -9.29906840e-10]
 [-4.02369446e-31  6.96924324e-31 -9.29906840e-10]
 [-1.65175929e-30  6.97788051e-32  9.29906840e-10]
 [ 4.02369446e-31 -6.96924324e-31  9.29906840e-10]]
stress =  [-6.16180537e-12 -6.16180537e-12  1.99837006e-21 -9.88022456e-50
 -3.17015084e-50  1.24374763e-27]
energy per atom =  -7.333458712557641
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0