element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:14:32       -5.147704        3.9688
BFGS:    1 14:14:32       -5.071652        2.8069
BFGS:    2 14:14:32       -5.207981        1.6212
BFGS:    3 14:14:32       -5.158829        3.6965
BFGS:    4 14:14:32       -5.237843        0.5947
BFGS:    5 14:14:32       -5.240959        0.1577
BFGS:    6 14:14:32       -5.241174        0.0132
BFGS:    7 14:14:32       -5.241176        0.0002
BFGS:    8 14:14:32       -5.241176        0.0000
BFGS:    9 14:14:32       -5.241176        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9844670721608975e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.7438151408155462, -1.2400263868434765e-33, -5.5227559872731833e-36], [-3.5118887502690534e-33, 1.7438151408155462, -1.6702574532171735e-17], [5.986936358472674e-34, -1.6702574532171726e-17, 1.7438151408155462]])
forces =  [[0. 0. 0.]]
stress =  [ 1.98446707e-12  1.98446707e-12  1.98446707e-12 -6.17566304e-29
 -5.29777801e-46  9.42362665e-61]
energy per atom =  -5.241175815209074
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0