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fix incorrect floating point number (missing "e") in meam/sw/spline potential

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this also requires updating the unit test
This commit is contained in:
Axel Kohlmeyer
2022-12-17 23:02:07 -05:00
parent 9137edae10
commit 1cd7011b66
3 changed files with 136 additions and 136 deletions
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2
potentials/Si.b.meam.sw.spline
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@ -1,6 +1,6 @@
# DATE: 2012-10-26 UNITS: metal CONTRIBUTOR: Robert Rudd, robert.rudd@llnl.gov CITATION: Balamane et al, Phys Rev B 46, 2250 (1992) COMMENT: Spline-based MEAM+SW potential for Si (F.H. Stillinger and T.A. Weber, Phys. Rev. B 31, 5262 (1985) with Balamane parameters: Balamane et al., Phys Rev B 46, 2250 (1992)).
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-5.511362311759948+02 0.000000000000000000e+00
-5.511362311759948e+02 0.000000000000000000e+00
1 0 1 0
9.2969999999999997E-01 1.1344841447915871E+02 2.9969523122045521E+03
1.0086299999999999E+00 7.8058660789969480E+01 1.8181346482323115E+03

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potentials/Si_1.meam.spline
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@ -1,4 +1,4 @@
DATE: 2012-02-01 UNITS: metal 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)
# DATE: 2012-02-01 UNITS: metal 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)
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-4.266966781858503300e+01 0.000000000000000000e+00
1 0 1 0