element(s):
['Pt', 'Ti']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7219', '0.59810669', '1.0338635', '0.19329047', '0.70399944']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.25       0.         0.19329047]
 [0.25       0.5        0.70399944]]
spacegroup =  51
cell =  [[4.7219, 0, 0], [0, 2.8242, 0], [0, 0, 4.8818]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:27:44      -24.843972        0.6911
BFGS:    1 16:27:44      -24.857962        0.5884
BFGS:    2 16:27:44      -24.906730        0.3827
BFGS:    3 16:27:44      -24.921903        0.5313
BFGS:    4 16:27:44      -24.932161        0.5028
BFGS:    5 16:27:44      -24.960972        0.5052
BFGS:    6 16:27:44      -24.973432        0.3301
BFGS:    7 16:27:44      -24.976488        0.1628
BFGS:    8 16:27:44      -24.977740        0.1503
BFGS:    9 16:27:44      -24.980381        0.1741
BFGS:   10 16:27:44      -24.983018        0.1536
BFGS:   11 16:27:44      -24.984621        0.0985
BFGS:   12 16:27:44      -24.985308        0.0893
BFGS:   13 16:27:44      -24.985858        0.1148
BFGS:   14 16:27:44      -24.986510        0.1123
BFGS:   15 16:27:44      -24.987208        0.0755
BFGS:   16 16:27:44      -24.987626        0.0443
BFGS:   17 16:27:44      -24.987778        0.0247
BFGS:   18 16:27:44      -24.987822        0.0117
BFGS:   19 16:27:44      -24.987834        0.0053
BFGS:   20 16:27:44      -24.987836        0.0010
BFGS:   21 16:27:44      -24.987836        0.0001
BFGS:   22 16:27:44      -24.987836        0.0000
BFGS:   23 16:27:44      -24.987836        0.0000
BFGS:   24 16:27:44      -24.987836        0.0000
BFGS:   25 16:27:44      -24.987836        0.0000
Minimization converged after 25 steps.
Maximum force component: 2.4124101971698814e-09 eV/Angstrom
Maximum stress component: 1.441244833156234e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Ti', 'Ti']
basis =  [[2.50000000e-01 6.77093930e-36 1.66850741e-01]
 [7.50000000e-01 8.22638512e-35 8.33149259e-01]
 [2.50000000e-01 5.00000000e-01 6.78396302e-01]
 [7.50000000e-01 5.00000000e-01 3.21603698e-01]]
cellpar =  Cell([[4.560059191360074, 1.6778836622443236e-36, 0.0], [-4.713910927139464e-36, 2.863832381462395, 0.0], [0.0, 0.0, 4.841056859108129]])
forces =  [[ 0.00000000e+00  0.00000000e+00 -2.41241020e-09]
 [ 0.00000000e+00  0.00000000e+00  2.41241020e-09]
 [ 0.00000000e+00  0.00000000e+00  1.63996901e-09]
 [ 0.00000000e+00  0.00000000e+00 -1.63996901e-09]]
stress =  [2.41552146e-11 5.81047152e-11 1.44124483e-10 0.00000000e+00
 0.00000000e+00 1.88769741e-33]
energy per atom =  -6.246958900638044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0