element(s):
['C']
AFLOW prototype label:
A_hP2_191_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.4677', '1.6162824']
Parameter values for parameter set 1:
['2.4647', '1.3417049']
model name:
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 3.9885]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 01:15:50      -14.661728         0.387504
BFGS:    1 01:15:50      -14.665142         0.228551
BFGS:    2 01:15:50      -14.666916         0.007134
BFGS:    3 01:15:50      -14.666917         0.000125
BFGS:    4 01:15:50      -14.666917         0.000000
BFGS:    5 01:15:51      -14.666917         0.000000
Minimization converged after 5 steps.
Maximum force component: 4.834417426083715e-31 eV/Angstrom
Maximum stress component: 6.031480228557837e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 1.84160782e-37]
 [6.66666663e-01 3.33333337e-01 7.83659164e-39]]
cellpar =  Cell([[2.4513408607715332, 4.682972478915288e-18, -8.726424411810367e-54], [-1.2256704303857666, 2.12292345876296, -7.463793828479724e-42], [5.350579714476139e-57, 1.17668445809999e-37, 3.988499999999999]])
forces =  [[-4.83441743e-31  2.79115220e-31 -5.55225107e-53]
 [ 4.83441743e-31 -2.79115220e-31  5.55225107e-53]]
stress =  [-6.03148023e-14 -6.03148023e-14  2.30213354e-73  1.77940304e-51
 -6.32569596e-67  9.24403525e-30]
energy per atom =  -7.333458712557633
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4647, 0, 0], [-1.23235, 2.1344928127075, 0], [0, 0, 3.3069]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 01:16:00      -14.663444         0.317797
BFGS:    1 01:16:00      -14.665736         0.186603
BFGS:    2 01:16:00      -14.666917         0.004717
BFGS:    3 01:16:00      -14.666917         0.000067
BFGS:    4 01:16:00      -14.666917         0.000000
BFGS:    5 01:16:00      -14.666917         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.3955761011622367e-31 eV/Angstrom
Maximum stress component: 1.3512143904625063e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 2.93876577e-39]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]]
cellpar =  Cell([[2.451340860771554, 5.36600176221441e-19, 1.193085389569254e-41], [-1.225670430385777, 2.122923458762978, -1.1930853895989876e-41], [-2.0395396660011004e-37, 1.1775287751886506e-37, 3.3068999999999975]])
forces =  [[-8.05736238e-32  1.39557610e-31 -7.84315350e-73]
 [ 8.05736238e-32 -1.39557610e-31  7.84315350e-73]]
stress =  [-1.35121439e-14 -1.35121439e-14  5.30221049e-77  4.81143617e-52
 -8.33365190e-52  4.40912768e-30]
energy per atom =  -7.333458712557638
===============================================