element(s):
['C']
AFLOW prototype label:
A_oC16_65_mn
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['4.883', '1.1391972', '0.87542494', '0.15709997', '0.85013575', '0.6807677']
Parameter values for parameter set 1:
['4.9133', '1.1162152', '1.3733336', '0.10134088', '0.12560938', '0.81864012']
model name:
EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.25       0.25       0.15709997]
 [0.         0.85013575 0.6807677 ]]
spacegroup =  65
cell =  [[4.883, 0, 0], [0, 5.5627, 0], [0, 0, 4.2747]]
=========================================
Minimization stalled after 0 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.0 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']
basis =  [[0.25       0.25       0.15709997]
 [0.75       0.75       0.15709997]
 [0.75       0.25       0.84290003]
 [0.25       0.75       0.84290003]
 [0.75       0.75       0.84290003]
 [0.25       0.25       0.84290003]
 [0.25       0.75       0.15709997]
 [0.75       0.25       0.15709997]
 [1.         0.85013575 0.6807677 ]
 [1.         0.14986425 0.6807677 ]
 [1.         0.85013575 0.3192323 ]
 [1.         0.14986425 0.3192323 ]
 [0.5        0.35013575 0.6807677 ]
 [0.5        0.64986425 0.6807677 ]
 [0.5        0.35013575 0.3192323 ]
 [0.5        0.64986425 0.3192323 ]]
cellpar =  Cell([4.883, 5.5627, 4.274699999999999])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [0. 0. 0. 0. 0. 0.]
energy per atom =  0.0
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.25       0.25       0.10134088]
 [0.         0.12560938 0.81864012]]
spacegroup =  65
cell =  [[4.9133, 0, 0], [0, 5.4843, 0], [0, 0, 6.7476]]
=========================================
Minimization stalled after 0 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.0 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']
basis =  [[2.50000000e-01 2.50000000e-01 1.01340880e-01]
 [7.50000000e-01 7.50000000e-01 1.01340880e-01]
 [7.50000000e-01 2.50000000e-01 8.98659120e-01]
 [2.50000000e-01 7.50000000e-01 8.98659120e-01]
 [7.50000000e-01 7.50000000e-01 8.98659120e-01]
 [2.50000000e-01 2.50000000e-01 8.98659120e-01]
 [2.50000000e-01 7.50000000e-01 1.01340880e-01]
 [7.50000000e-01 2.50000000e-01 1.01340880e-01]
 [9.03851199e-17 1.25609380e-01 8.18640120e-01]
 [9.03851199e-17 8.74390620e-01 8.18640120e-01]
 [9.03851199e-17 1.25609380e-01 1.81359880e-01]
 [9.03851199e-17 8.74390620e-01 1.81359880e-01]
 [5.00000000e-01 6.25609380e-01 8.18640120e-01]
 [5.00000000e-01 3.74390620e-01 8.18640120e-01]
 [5.00000000e-01 6.25609380e-01 1.81359880e-01]
 [5.00000000e-01 3.74390620e-01 1.81359880e-01]]
cellpar =  Cell([4.9133, 5.484299999999999, 6.7475999999999985])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [0. 0. 0. 0. 0. 0.]
energy per atom =  0.0
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1