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_001
==== 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 13:04:22       -2.082596         0.879340
BFGS:    1 13:04:22       -2.112489         0.760133
BFGS:    2 13:04:22       -2.193920         0.370680
BFGS:    3 13:04:22       -2.222386         0.061452
BFGS:    4 13:04:22       -2.223319         0.012782
BFGS:    5 13:04:22       -2.223341         0.004328
BFGS:    6 13:04:22       -2.223342         0.003792
BFGS:    7 13:04:22       -2.223343         0.002129
BFGS:    8 13:04:22       -2.223344         0.001332
BFGS:    9 13:04:22       -2.223345         0.000333
BFGS:   10 13:04:22       -2.223345         0.000082
BFGS:   11 13:04:22       -2.223345         0.000005
BFGS:   12 13:04:22       -2.223345         0.000000
BFGS:   13 13:04:22       -2.223345         0.000000
Minimization converged after 13 steps.
Maximum force component: 9.503470221435196e-33 eV/Angstrom
Maximum stress component: 1.0173158783629997e-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([[3.8892483606650052, -5.038118846879668e-17, 4.0319576562213363e-38], [-1.9446241803325026, 3.3681878819628777, 2.9709077639427644e-38], [-1.5661562963894254e-36, 1.5712943137199096e-36, 6.3376333334468455]])
forces =  [[-9.50347022e-33  2.62178628e-33 -1.62744504e-33]
 [ 5.52418466e-33 -2.64881501e-33  1.62744504e-33]]
stress =  [-1.01731588e-10 -1.01731588e-10 -8.51785323e-11 -8.42080953e-35
 -4.16721998e-35  2.98796636e-26]
energy per atom =  -1.1116723118794563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Hexagonal Close Packed" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.