element(s):
['Al', 'Cu', 'Pt']
AFLOW prototype label:
ABC2_tP4_123_a_c_e
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:
['3.9869', '0.87576814']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.9869, 0, 0], [0, 3.9869, 0], [0, 0, 3.4916]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:37      -18.705139         0.397599
BFGS:    1 15:48:37      -18.708126         0.392654
BFGS:    2 15:48:37      -18.733422         0.351373
BFGS:    3 15:48:37      -18.756605         0.310518
BFGS:    4 15:48:37      -18.777283         0.267484
BFGS:    5 15:48:37      -18.794979         0.219538
BFGS:    6 15:48:37      -18.809136         0.164425
BFGS:    7 15:48:37      -18.819137         0.101014
BFGS:    8 15:48:37      -18.824352         0.029901
BFGS:    9 15:48:37      -18.824979         0.008031
BFGS:   10 15:48:37      -18.824984         0.005033
BFGS:   11 15:48:37      -18.824985         0.003964
BFGS:   12 15:48:37      -18.824987         0.000476
BFGS:   13 15:48:37      -18.824987         0.000067
BFGS:   14 15:48:37      -18.824987         0.000006
BFGS:   15 15:48:37      -18.824987         0.000000
BFGS:   16 15:48:37      -18.824987         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3807993515503058e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Pt', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[3.8268841704068453, -1.5955366660831158e-36, 5.641874949320196e-34], [-2.4336125790335905e-36, 3.8268841704068453, -1.4796960201148875e-17], [2.740493537053462e-32, -1.2589370002072755e-17, 3.822409708122636]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.38079935e-10 -1.38079935e-10 -2.38721337e-11 -9.26529176e-27
 -5.26644942e-35 -1.29759871e-50]
energy per atom =  -4.7062467150354115
===============================================
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 "metallic; Fe1Ni1Pt2, ICSD #42564" 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.