forked from lijiext/lammps
63 lines
3.8 KiB
Plaintext
63 lines
3.8 KiB
Plaintext
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# Spline-based MEAM potential for Ti. Reference: R. G. Hennig, T. J. Lenosky, D. R. Trinkle, S. P. Rudin, and J. W. Wilkins, Phys. Rev. B 78, 054121 (2008)
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13
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-20.0 0.0
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1 0 1 0
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1.742692837163632546e+00 3.744277175966389349e+00 0.0e+00
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2.055801767399996649e+00 9.108397309055012991e-01 1.087025233010940539e+01
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2.368910697636360752e+00 3.880458966341450711e-01 -1.553224188359566327e+00
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2.682019627872724410e+00 -1.884090653346989427e-02 2.436300413714785229e+00
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2.995128558109088512e+00 -2.480989296390785637e-01 2.679127139950259640e+00
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3.308237488345452615e+00 -2.644895502965277645e-01 -1.250563846088559861e-01
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3.621346418581816273e+00 -2.271961892825972718e-01 1.106625553693794339e+00
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3.934455348818180376e+00 -1.292930901760148965e-01 -5.920536767960294933e-01
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4.247564279054544478e+00 -5.968536693320936753e-02 -4.701234146338039155e-01
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5.186891069763635898e+00 -3.203412727856397215e-03 -8.176829245009833991e-02
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5.500000000000000000e+00 0.000000000000000000e+00 -5.714229647754404118e-02
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11
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-1.000000000000000000e+00 0.000000000000000000e+00
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1 0 0 0
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2.055801767399996649e+00 1.747527966078008976e+00 -5.258697870855910423e+02
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2.291221590659997087e+00 -5.867796394513962177e+00 2.527963170143783884e+02
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2.526641413919997525e+00 -8.337628873718182732e+00 7.173183889436359095e+01
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2.762061237179997519e+00 -5.839871284245343297e+00 -1.935877422943027337e+00
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3.232900883699998396e+00 -1.725724506500649014e+00 1.434241360892369954e+01
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3.468320706959998834e+00 -4.428977016930342181e-01 -2.949255346943084177e+01
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3.703740530219999272e+00 -1.466643003340316054e-01 -3.180105342079309949e+00
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3.939160353479999266e+00 -2.095507944774975262e-01 3.334908384292152750e+00
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4.174580176740000148e+00 -1.442384563223014227e-01 3.719186918672943154e+00
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4.410000000000000142e+00 0.000000000000000000e+00 -9.667170204974903314e+00
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4
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7.769349460453946719e-03 1.051977061603435737e-01
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1 1 1 1
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-5.514233164927543385e+01 -2.974556800785587707e-01 1.528706039584923782e-03
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-4.474098990370920603e+01 -1.544945872174040002e-01 3.893372250824005966e-04
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-3.433964815814297822e+01 5.098657168053199323e-02 3.812492703804592413e-04
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-2.393830641257674685e+01 5.734269470406565539e-01 1.566392648865140222e-02
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10
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2.773275116566607856e+00 0.000000000000000000e+00
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1 0 1 0
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2.317379348799997185e+00 1.684530491819494546e+00 -4.727446892749223650e+01
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2.578956930199997277e+00 2.011336597660079661e+00 -1.518595783989647252e+01
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2.840534511599997813e+00 1.144409274729116577e+00 3.339782043718398263e+00
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3.102112092999998350e+00 2.861606802608402389e-01 2.587867610190767831e+00
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3.363689674399998442e+00 -3.459281125712435068e-01 6.140706938696685491e+00
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3.625267255799998978e+00 -6.257480601030769307e-01 3.739769675678216831e+00
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3.886844837199999514e+00 -6.119510825772711549e-01 4.647490848815326814e+00
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4.148422418600000050e+00 -3.112059650865105498e-01 2.832757465268814556e+00
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4.410000000000000142e+00 0.000000000000000000e+00 -1.506120868737344587e+01
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8
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8.336422748105723812e+00 -6.040245747365641193e+01
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1 1 1 1
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-1.000000000000001998e+00 7.651409192994791664e-02 -1.106523212957412881e+02
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-7.245090543770936753e-01 1.415582454149486025e-01 4.488534055085228403e+01
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-4.490181087541854632e-01 7.578869734074348274e-01 -2.530651153464005532e+01
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-1.735271631312771679e-01 6.301157037831857100e-01 -2.485101449562865383e+00
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1.019637824916310997e-01 9.049597305054708773e-02 2.687693869168511718e+00
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3.774547281145393951e-01 -3.574158665670761348e-01 -1.015585700534352709e+00
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6.529456737374476072e-01 -6.529321764728414079e-01 1.342247859683878808e+01
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9.284366193603559303e-01 -6.009121906529053980e+00 -4.527525426982541035e+02
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