element(s):
['N']
AFLOW prototype label:
A_cI20_217_ce
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.878', '0.63332537', '0.28144238']
model name:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.13332537 0.13332537 0.13332537]
 [0.28144238 0.         0.        ]]
spacegroup =  217
cell =  [[5.878, 0, 0], [0, 5.878, 0], [0, 0, 5.878]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:44:12      -26.789246        2.2524
BFGS:    1 17:44:12      -27.803949        1.6179
BFGS:    2 17:44:12      -28.623337        0.7237
BFGS:    3 17:44:12      -28.781174        0.2122
BFGS:    4 17:44:12      -28.789432        0.1239
BFGS:    5 17:44:13      -28.797412        0.1211
BFGS:    6 17:44:13      -28.803555        0.0676
BFGS:    7 17:44:13      -28.805323        0.0189
BFGS:    8 17:44:13      -28.805499        0.0036
BFGS:    9 17:44:13      -28.805504        0.0002
BFGS:   10 17:44:13      -28.805504        0.0000
BFGS:   11 17:44:13      -28.805504        0.0000
BFGS:   12 17:44:13      -28.805504        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.2379473912420746e-09 eV/Angstrom
Maximum stress component: 5.707769099585329e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.14684022 0.14684022 0.14684022]
 [0.85315978 0.85315978 0.14684022]
 [0.85315978 0.14684022 0.85315978]
 [0.14684022 0.85315978 0.85315978]
 [0.64684022 0.64684022 0.64684022]
 [0.35315978 0.35315978 0.64684022]
 [0.35315978 0.64684022 0.35315978]
 [0.64684022 0.35315978 0.35315978]
 [0.29368045 0.         0.        ]
 [0.70631955 0.         0.        ]
 [0.         0.29368045 0.        ]
 [0.         0.70631955 0.        ]
 [0.         0.         0.29368045]
 [0.         0.         0.70631955]
 [0.79368045 0.5        0.5       ]
 [0.20631955 0.5        0.5       ]
 [0.5        0.79368045 0.5       ]
 [0.5        0.20631955 0.5       ]
 [0.5        0.5        0.79368045]
 [0.5        0.5        0.20631955]]
cellpar =  Cell([[5.892561911847541, -2.2569539226648717e-32, -1.472458394943279e-32], [-9.671975199866402e-33, 5.892561911847541, 1.2745160636531158e-19], [3.182424510098097e-33, 1.274516063653002e-19, 5.892561911847541]])
forces =  [[ 1.23794739e-09  1.23794739e-09  1.23794739e-09]
 [-1.23794739e-09 -1.23794739e-09  1.23794739e-09]
 [-1.23794739e-09  1.23794739e-09 -1.23794739e-09]
 [ 1.23794739e-09 -1.23794739e-09 -1.23794739e-09]
 [ 1.23794739e-09  1.23794739e-09  1.23794739e-09]
 [-1.23794739e-09 -1.23794739e-09  1.23794739e-09]
 [-1.23794739e-09  1.23794739e-09 -1.23794739e-09]
 [ 1.23794739e-09 -1.23794739e-09 -1.23794739e-09]
 [ 4.49148291e-10 -1.72031624e-42 -1.12235082e-42]
 [-4.49148291e-10 -4.84209555e-32 -4.84209555e-32]
 [-7.37226218e-43  4.49148291e-10  9.71473394e-30]
 [-3.63157166e-32 -4.49148291e-10 -9.76315489e-30]
 [ 2.42573697e-43  9.71473394e-30  4.49148291e-10]
 [-4.84209555e-32 -9.76315489e-30 -4.49148291e-10]
 [ 4.49148291e-10 -3.63157166e-32  1.21052389e-32]
 [-4.49148291e-10 -4.84209555e-32 -4.84209555e-32]
 [-7.37226218e-43  4.49148291e-10  9.73894442e-30]
 [ 6.05261943e-33 -4.49148291e-10 -9.76315489e-30]
 [ 1.21052389e-32  9.72683918e-30  4.49148291e-10]
 [-5.06906877e-32 -9.76315489e-30 -4.49148291e-10]]
stress =  [-5.70776910e-11 -5.70776910e-11 -5.70776910e-11 -1.99982711e-27
 -2.29251226e-59 -4.19295322e-60]
energy per atom =  -1.440275194480633
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0