element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB3_tP4_123_a_ce
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:
['4.6201', '0.81967923']
model name:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.6201, 0, 0], [0, 4.6201, 0], [0, 0, 3.787]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:18:39      -22.275096        0.1181
BFGS:    1 09:18:39      -22.275502        0.1109
BFGS:    2 09:18:40      -22.279828        0.2022
BFGS:    3 09:18:40      -22.280461        0.2112
BFGS:    4 09:18:40      -22.287826        0.2798
BFGS:    5 09:18:40      -22.294585        0.3216
BFGS:    6 09:18:40      -22.300637        0.3463
BFGS:    7 09:18:40      -22.306252        0.3544
BFGS:    8 09:18:40      -22.311606        0.3465
BFGS:    9 09:18:40      -22.316994        0.3218
BFGS:   10 09:18:40      -22.322566        0.2804
BFGS:   11 09:18:40      -22.328254        0.2243
BFGS:   12 09:18:40      -22.333655        0.1568
BFGS:   13 09:18:40      -22.337925        0.0863
BFGS:   14 09:18:40      -22.339555        0.0152
BFGS:   15 09:18:40      -22.339597        0.0033
BFGS:   16 09:18:40      -22.339604        0.0009
BFGS:   17 09:18:40      -22.339605        0.0003
BFGS:   18 09:18:40      -22.339605        0.0000
BFGS:   19 09:18:40      -22.339605        0.0000
BFGS:   20 09:18:40      -22.339605        0.0000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.123619838403203e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.34063992e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.309725389197605, -1.2323646209090133e-35, 4.730922164836669e-33], [-5.231771426608568e-36, 4.309725389197604, 2.473265468992632e-18], [5.085560781000883e-33, 9.94716064929824e-18, 4.309725346611877]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.63935150e-10  2.63935150e-10 -5.12361984e-10  1.34932845e-25
 -8.29528449e-35  1.57021651e-50]
energy per atom =  -5.584901224188313
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.