element(s):
['Na']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.669', '1.6326519']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.669, 0, 0], [-1.8345, 3.1774472064851, 0], [0, 0, 5.9902]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:13:20       -2.082596        0.8793
BFGS:    1 14:13:21       -2.112489        0.7601
BFGS:    2 14:13:22       -2.193920        0.3707
BFGS:    3 14:13:22       -2.222386        0.0615
BFGS:    4 14:13:23       -2.223319        0.0128
BFGS:    5 14:13:24       -2.223341        0.0043
BFGS:    6 14:13:24       -2.223342        0.0038
BFGS:    7 14:13:25       -2.223343        0.0021
BFGS:    8 14:13:26       -2.223344        0.0013
BFGS:    9 14:13:27       -2.223345        0.0003
BFGS:   10 14:13:28       -2.223345        0.0001
BFGS:   11 14:13:29       -2.223345        0.0000
BFGS:   12 14:13:29       -2.223345        0.0000
BFGS:   13 14:13:30       -2.223345        0.0000
Minimization converged after 13 steps.
Maximum force component: 8.988503854756444e-33 eV/Angstrom
Maximum stress component: 1.0173158971684449e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.889248360665006, -5.034520352750367e-17, 1.7126984439492046e-39], [-1.944624180332503, 3.3681878819628777, -1.0082208495738528e-37], [-1.0346034992641422e-36, 3.607737879119969e-37, 6.3376333334468455]])
forces =  [[ 8.98850385e-33 -8.64919187e-33  6.50978017e-33]
 [-8.98850385e-33  8.64919187e-33 -6.50978017e-33]]
stress =  [-1.01731590e-10 -1.01731590e-10 -8.51784935e-11 -4.57129660e-34
 -4.58394198e-34 -1.27544300e-26]
energy per atom =  -1.1116723118794563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0