element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
model name:
EAM_Mendelev_2019_CuZr__MO_945018740343_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:14:43      -12.832101        0.1446
BFGS:    1 18:14:43      -12.832876        0.1052
BFGS:    2 18:14:43      -12.833675        0.0110
BFGS:    3 18:14:43      -12.833684        0.0007
BFGS:    4 18:14:43      -12.833684        0.0000
BFGS:    5 18:14:43      -12.833684        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.733795970134475e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.562439452171825, 2.256132173296579e-32, 7.04111273360942e-33], [1.1533862140784035e-32, 3.562439452171825, -1.420071287518403e-20], [1.38730713025477e-32, -1.4200712875202556e-20, 3.562439452171825]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.73379597e-11 -4.73379597e-11 -4.73379597e-11  3.02293429e-28
 -4.97273639e-31  1.04719655e-47]
energy per atom =  -6.416841809967264
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0