element(s):
['Zr']
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:
['3.232', '1.6019183']
model name:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.232, 0, 0], [-1.616, 2.7989941050313, 0], [0, 0, 5.1774]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:13:00      -12.725224        0.2394
BFGS:    1 15:13:00      -12.726217        0.1868
BFGS:    2 15:13:00      -12.727446        0.0423
BFGS:    3 15:13:00      -12.727508        0.0384
BFGS:    4 15:13:00      -12.727738        0.0007
BFGS:    5 15:13:00      -12.727738        0.0000
BFGS:    6 15:13:00      -12.727738        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.393795679812177e-31 eV/Angstrom
Maximum stress component: 8.786847989371081e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.230803986485795, 9.317034593424094e-19, -8.034140987805198e-37], [-1.6154019932428976, 2.7979583269447343, -8.332168886578031e-37], [-3.148278842800558e-36, -1.1889718403077268e-36, 5.125233738171621]])
forces =  [[ 1.39379568e-31 -5.74791651e-32  1.05288972e-32]
 [-1.39379568e-31  5.74791651e-32 -1.05288972e-32]]
stress =  [-6.49508981e-11 -6.49508981e-11 -8.78684799e-11  8.59538910e-34
 -3.65583122e-46 -1.48940673e-26]
energy per atom =  -6.363869127026307
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0