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lammps/potentials/CdTe.bop.table

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add UNITS: tag to a bunch more potential files
2020-06-14 18:52:34 +08:00
### DATE: 2012-06-25 UNITS: metal CONTRIBUTOR: Don Ward, donward@sandia.gov CITATION: Ward, Zhou, Wong, Doty, and Zimmerman, Phys Rev B, 85, 115206 (2012)
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-11 05:15:24 +08:00
2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-26 08:53:16 +08:00
48 0.11241180E+03 Cd
52 0.12760300E+03 Te
2000 2000
0.10E-04 0.10E-04 0.10E-04 0.10E-04 0.10E-04 0.10E-02 0.10E-04
0.42000000E+00
0.46068630E+00
0.43330000E+01
0.56112980E+00 0.00000000E+00 0.10000000E+01 0.10000000E+01
0.00000000E+00 0.00000000E+00
0.43186280E+00 0.15000000E+02 0.10000000E+07
0.44465000E+01
0.10148090E+01 0.00000000E+00 0.10000000E+01 0.10000000E+01
0.00000000E+00 0.00000000E+00
0.33122690E+00 -0.28601900E+01 0.10000000E+07
0.49000000E+01
0.12869550E+01 0.00000000E+00 0.10000000E+01 0.10000000E+01
0.00000000E+00 0.00000000E+00
0.50000000E+00 0.00000000E+00 0.10000000E+07
0.39687010E+00 0.88101950E+00 -0.27788970E+00
-0.10071280E+00 0.10000000E+01 0.10071280E+00
0.20073220E+00 0.60000000E+00 0.19926780E+00
updated BOP potential files from Xiaowang Zhou
2021-05-01 08:11:25 +08:00
0.20952380E+00 0.60000000E+00 0.19047620E+00
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-26 08:53:16 +08:00
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0.84292149E+00 0.84342174E+00 0.84392199E+00 0.84442224E+00 0.84492249E+00
0.84542274E+00 0.84592299E+00 0.84642324E+00 0.84692349E+00 0.84742374E+00
0.84792399E+00 0.84842424E+00 0.84892449E+00 0.84942474E+00 0.84992499E+00
0.85042524E+00 0.85092549E+00 0.85142574E+00 0.85192599E+00 0.85242624E+00
0.85292649E+00 0.85342674E+00 0.85392699E+00 0.85442724E+00 0.85492749E+00
0.85542774E+00 0.85592799E+00 0.85642824E+00 0.85692849E+00 0.85742874E+00
0.85792899E+00 0.85842924E+00 0.85892949E+00 0.85942974E+00 0.85992999E+00
0.86043024E+00 0.86093049E+00 0.86143074E+00 0.86193099E+00 0.86243124E+00
0.86293149E+00 0.86343174E+00 0.86393199E+00 0.86443224E+00 0.86493249E+00
0.86543274E+00 0.86593299E+00 0.86643325E+00 0.86693350E+00 0.86743375E+00
0.86793400E+00 0.86843425E+00 0.86893450E+00 0.86943475E+00 0.86993500E+00
0.87043525E+00 0.87093550E+00 0.87143575E+00 0.87193600E+00 0.87243625E+00
0.87293650E+00 0.87343675E+00 0.87393700E+00 0.87443725E+00 0.87493750E+00
0.87543775E+00 0.87593800E+00 0.87643825E+00 0.87693850E+00 0.87743875E+00
0.87793900E+00 0.87843925E+00 0.87893950E+00 0.87943975E+00 0.87994000E+00
0.88044025E+00 0.88094050E+00 0.88144075E+00 0.88194100E+00 0.88244125E+00
0.88294150E+00 0.88344175E+00 0.88394200E+00 0.88444225E+00 0.88494250E+00
0.88544275E+00 0.88594300E+00 0.88644325E+00 0.88694350E+00 0.88744375E+00
0.88794400E+00 0.88844425E+00 0.88894450E+00 0.88944475E+00 0.88994500E+00
0.89044525E+00 0.89094550E+00 0.89144575E+00 0.89194600E+00 0.89244625E+00
0.89294650E+00 0.89344675E+00 0.89394700E+00 0.89444725E+00 0.89494750E+00
0.89544775E+00 0.89594800E+00 0.89644825E+00 0.89694850E+00 0.89744875E+00
0.89794900E+00 0.89844925E+00 0.89894950E+00 0.89944975E+00 0.89995000E+00
0.90045025E+00 0.90095050E+00 0.90145075E+00 0.90195100E+00 0.90245125E+00
0.90295150E+00 0.90345176E+00 0.90395201E+00 0.90445226E+00 0.90495251E+00
0.90545276E+00 0.90595301E+00 0.90645326E+00 0.90695351E+00 0.90745376E+00
0.90795401E+00 0.90845426E+00 0.90895451E+00 0.90945476E+00 0.90995501E+00
0.91045526E+00 0.91095551E+00 0.91145576E+00 0.91195601E+00 0.91245626E+00
0.91295651E+00 0.91345676E+00 0.91395701E+00 0.91445726E+00 0.91495751E+00
0.91545776E+00 0.91595801E+00 0.91645826E+00 0.91695851E+00 0.91745876E+00
0.91795901E+00 0.91845926E+00 0.91895951E+00 0.91945976E+00 0.91996001E+00
0.92046026E+00 0.92096051E+00 0.92146076E+00 0.92196101E+00 0.92246126E+00
0.92296151E+00 0.92346176E+00 0.92396201E+00 0.92446226E+00 0.92496251E+00
0.92546276E+00 0.92596301E+00 0.92646326E+00 0.92696351E+00 0.92746376E+00
0.92796401E+00 0.92846426E+00 0.92896451E+00 0.92946476E+00 0.92996501E+00
0.93046526E+00 0.93096551E+00 0.93146576E+00 0.93196601E+00 0.93246626E+00
0.93296651E+00 0.93346676E+00 0.93396701E+00 0.93446726E+00 0.93496751E+00
0.93546776E+00 0.93596801E+00 0.93646826E+00 0.93696851E+00 0.93746876E+00
0.93796901E+00 0.93846926E+00 0.93896951E+00 0.93946976E+00 0.93997001E+00
0.94047026E+00 0.94097051E+00 0.94147076E+00 0.94197102E+00 0.94247127E+00
0.94297152E+00 0.94347177E+00 0.94397202E+00 0.94447227E+00 0.94497252E+00
0.94547277E+00 0.94597302E+00 0.94647327E+00 0.94697352E+00 0.94747377E+00
0.94797402E+00 0.94847427E+00 0.94897452E+00 0.94947477E+00 0.94997502E+00
0.95047527E+00 0.95097552E+00 0.95147577E+00 0.95197602E+00 0.95247627E+00
0.95297652E+00 0.95347677E+00 0.95397702E+00 0.95447727E+00 0.95497752E+00
0.95547777E+00 0.95597802E+00 0.95647827E+00 0.95697852E+00 0.95747877E+00
0.95797902E+00 0.95847927E+00 0.95897952E+00 0.95947977E+00 0.95998002E+00
0.96048027E+00 0.96098052E+00 0.96148077E+00 0.96198102E+00 0.96248127E+00
0.96298152E+00 0.96348177E+00 0.96398202E+00 0.96448227E+00 0.96498252E+00
0.96548277E+00 0.96598302E+00 0.96648327E+00 0.96698352E+00 0.96748377E+00
0.96798402E+00 0.96848427E+00 0.96898452E+00 0.96948477E+00 0.96998502E+00
0.97048527E+00 0.97098552E+00 0.97148577E+00 0.97198602E+00 0.97248627E+00
0.97298652E+00 0.97348677E+00 0.97398702E+00 0.97448727E+00 0.97498752E+00
0.97548777E+00 0.97598802E+00 0.97648827E+00 0.97698852E+00 0.97748877E+00
0.97798902E+00 0.97848927E+00 0.97898952E+00 0.97948977E+00 0.97999002E+00
0.98049027E+00 0.98099052E+00 0.98149077E+00 0.98199102E+00 0.98249127E+00
0.98299152E+00 0.98349177E+00 0.98399202E+00 0.98449227E+00 0.98499252E+00
0.98549277E+00 0.98599302E+00 0.98649327E+00 0.98699352E+00 0.98749377E+00
0.98799402E+00 0.98849427E+00 0.98899452E+00 0.98949477E+00 0.98999502E+00
0.99049527E+00 0.99099552E+00 0.99149576E+00 0.99199601E+00 0.99249626E+00
0.99299651E+00 0.99349676E+00 0.99399701E+00 0.99449726E+00 0.99499750E+00
0.99549775E+00 0.99599800E+00 0.99649824E+00 0.99699849E+00 0.99749873E+00
0.99799896E+00 0.99849919E+00 0.99899939E+00 0.99949950E+00 0.99998812E+00
0.10000000E+01
0.10000000E+01
0.00000000E+00
0.00000000E+00
0.00000000E+00
updated BOP potential files from Xiaowang Zhou
2021-05-01 08:11:25 +08:00
0.00000000E+00
0.00000000E+00