element(s):
['C', 'Pt']
AFLOW prototype label:
AB_hP2_187_a_d
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:
['3.0042', '0.95496305']
model name:
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  187
cell =  [[3.0042, 0, 0], [-1.5021, 2.6017135180492, 0], [0, 0, 2.8689]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:47:59      -10.123420         2.630356
BFGS:    1 12:47:59      -10.228580         2.173250
BFGS:    2 12:47:59      -10.320834         1.589978
BFGS:    3 12:47:59      -10.390269         1.434918
BFGS:    4 12:47:59      -10.451451         2.013751
BFGS:    5 12:47:59      -10.511358         2.260150
BFGS:    6 12:47:59      -10.602030         2.144028
BFGS:    7 12:47:59      -10.718762         1.082813
BFGS:    8 12:47:59      -10.741147         0.105157
BFGS:    9 12:47:59      -10.741755         0.015467
BFGS:   10 12:47:59      -10.741758         0.000173
BFGS:   11 12:47:59      -10.741758         0.000001
BFGS:   12 12:47:59      -10.741758         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5835785471420332e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
cellpar =  Cell([[3.1965403807447936, -5.109616090012498e-17, -4.917073029515703e-37], [-1.5982701903723968, 2.7682851739477736, -1.8335680361571983e-35], [-3.0039750638298162e-36, 8.080305983560208e-35, 2.489458284121945]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.56917301e-12  7.56917301e-12  1.58357855e-11  7.45235505e-35
 -1.29078576e-34  1.12575015e-27]
energy per atom =  -5.370879072441652
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0