Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/potentials/Si_1.meam.spline
0b5f034699bflammm-devel

Last Change
Raw File

Si_1.meam.spline
View Options

DATE: 2012-02-01 CONTRIBUTOR: Alexander Stukowski, stukowski@mm.tu-darmstadt.de CITATION: Lenosky, Sadigh, Alonso, Bulatov, de la Rubia, Kim, Voter and Kress, Modell Simul Mater Sci Eng, 8, 825 (2000) COMMENT: Spline-based MEAM potential for Si. Reference: T. J. Lenosky, B. Sadigh, E. Alonso, V. V. Bulatov, T. D. de la Rubia, J. Kim, A. F. Voter, and J. D. Kress, Modell. Simul. Mater. Sci. Eng. 8, 825 (2000)
10
-4.266966781858503300e+01 0.000000000000000000e+00
1 0 1 0
1.500000000000000000e+00 6.929943430771341000e+00 1.653321602557917600e+02
1.833333333333333300e+00 -4.399503747408950400e-01 3.941543472528634600e+01
2.166666666666666500e+00 -1.701233725061446700e+00 6.871065423413908100e+00
2.500000000000000000e+00 -1.624732919215791800e+00 5.340648014033163800e+00
2.833333333333333000e+00 -9.969641728342462100e-01 1.534811309391571000e+00
3.166666666666667000e+00 -2.739141845072665100e-01 -6.334706186546093900e+00
3.500000000000000000e+00 -2.499156963774082700e-02 -1.798864729909626500e+00
3.833333333333333500e+00 -1.784331481529976400e-02 4.743496636420091500e-01
4.166666666666666100e+00 -9.612303290166881000e-03 -4.006506271304824400e-02
4.500000000000000000e+00 0.000000000000000000e+00 -2.394996574779807200e-01
11
-1.000000000000000000e+00 0.000000000000000000e+00
1 0 0 0
1.500000000000000000e+00 1.374674212682983900e-01 -3.227795813279568500e+00
1.700000000000000000e+00 -1.483141815327918000e-01 -6.411648793604404900e+00
1.899999999999999900e+00 -5.597204896096039700e-01 1.003068519633888300e+01
2.100000000000000100e+00 -7.310964379372824100e-01 2.293461970618954700e+00
2.299999999999999800e+00 -7.628287071954063000e-01 1.742018781618444500e+00
2.500000000000000000e+00 -7.291769685066557000e-01 5.460640949384478700e-01
2.700000000000000200e+00 -6.662022220044453400e-01 4.721760106467195500e-01
2.899999999999999900e+00 -5.732830582550895200e-01 2.056894449546524200e+00
3.100000000000000100e+00 -4.069014309729406300e-01 2.319615721086100800e+00
3.299999999999999800e+00 -1.666155295956388300e-01 -2.497162196179187900e-01
3.500000000000000000e+00 0.000000000000000000e+00 -1.237130660986393100e+01
8
7.351364478015182100e-01 6.165217237728655200e-01
1 1 1 1
-1.770934559908718700e+00 -1.074925682941420000e+00 -1.482768170233858500e-01
-3.881557649503457600e-01 -2.004503493658201000e-01 -1.492100354067345500e-01
9.946230300080272100e-01 4.142241371345077300e-01 -7.012475119623896900e-02
2.377401824966400000e+00 8.793892953828742500e-01 -3.944355024164965900e-02
3.760180619924772900e+00 1.266888024536562100e+00 -1.581431192239436000e-02
5.142959414883146800e+00 1.629979548834614900e+00 2.611224310900800400e-02
6.525738209841518900e+00 1.977379549636293600e+00 -1.378738550324104500e-01
7.908517004799891800e+00 2.396177220616657200e+00 7.494253977092666400e-01
10
-3.618936018538757300e+00 0.000000000000000000e+00
1 0 1 0
1.500000000000000000e+00 1.250311510312851300e+00 2.790400588857243500e+01
1.722222222222222300e+00 8.682060369372680600e-01 -4.522554291731776900e+00
1.944444444444444400e+00 6.084604017544847900e-01 5.052931618779816800e+00
2.166666666666666500e+00 4.875624808097850400e-01 1.180825096539679600e+00
2.388888888888888800e+00 4.416345603457190700e-01 -6.673769465415171400e-01
2.611111111111111200e+00 3.760976313325982700e-01 -8.938118490837722000e-01
2.833333333333333000e+00 2.714524157414608400e-01 -5.090324763524399800e-01
3.055555555555555400e+00 1.481440300150710900e-01 6.623665830603995300e-01
3.277777777777777700e+00 4.854596610856590900e-02 7.403702452268122700e-01
3.500000000000000000e+00 0.000000000000000000e+00 2.578982318481970500e+00
8
-1.395041572145673000e+01 1.134616739799360700e+00
1 1 1 1
-1.000000000000000900e+00 5.254163992149617700e+00 1.582685381253900500e+01
-7.428367052748285900e-01 2.359149452448745100e+00 3.117611233789983400e+01
-4.856734105496561800e-01 1.195946960915646100e+00 1.658962813584905800e+01
-2.285101158244838800e-01 1.229952028074150000e+00 1.108360928564026400e+01
2.865317890068852500e-02 2.035650777568434500e+00 9.088861456447702400e+00
2.858164736258610400e-01 3.424741418405580000e+00 5.489943377538379500e+00
5.429797683510331200e-01 4.948585892304984100e+00 -1.882291580187675700e+01
8.001430630762056400e-01 5.617988713941801200e+00 -7.718625571850646200e+00
c4science · Help