# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_004 # composition = CSi # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-10-04 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan 1.994696254e+03 1.994696254e+03 nan nan 0.58 nan nan nan nan 1.757835099e+03 1.757835099e+03 nan nan 0.60 nan nan nan nan 1.556335390e+03 1.556335390e+03 nan nan 0.62 nan nan nan nan 1.383189502e+03 1.383189502e+03 nan nan 0.64 2.040954077e+03 2.040954077e+03 nan nan 1.231182441e+03 1.231182441e+03 nan nan 0.66 1.826630516e+03 1.826630516e+03 nan nan 1.096205900e+03 1.096205900e+03 nan nan 0.68 1.637921270e+03 1.637921270e+03 nan nan 9.775133998e+02 9.775133998e+02 nan nan 0.70 1.471904019e+03 1.471904019e+03 2.013756531e+03 2.013756531e+03 8.738745392e+02 8.738745392e+02 nan nan 0.72 1.325859986e+03 1.325859986e+03 1.817083538e+03 1.817083538e+03 7.818812495e+02 7.818812495e+02 1.932222002e+03 1.932222002e+03 0.74 1.194579193e+03 1.194579193e+03 1.642356555e+03 1.642356555e+03 7.013987427e+02 7.013987427e+02 1.750204948e+03 1.750204948e+03 0.76 1.075595768e+03 1.075595768e+03 1.486182131e+03 1.486182131e+03 6.300691976e+02 6.300691976e+02 1.587659731e+03 1.587659731e+03 0.78 9.696245912e+02 9.696245912e+02 1.346801425e+03 1.346801425e+03 5.665194119e+02 5.665194119e+02 1.440734518e+03 1.440734518e+03 0.80 8.762319221e+02 8.762319221e+02 1.220470726e+03 1.220470726e+03 5.099447760e+02 5.099447760e+02 1.308983974e+03 1.308983974e+03 0.82 7.922025035e+02 7.922025035e+02 1.107608243e+03 1.107608243e+03 4.604279887e+02 4.604279887e+02 1.190872775e+03 1.190872775e+03 0.84 7.172803134e+02 7.172803134e+02 1.007581294e+03 1.007581294e+03 4.160297693e+02 4.160297693e+02 1.085142393e+03 1.085142393e+03 0.86 6.514070081e+02 6.514070081e+02 9.194728254e+02 9.194728254e+02 3.761929389e+02 3.761929389e+02 9.894010696e+02 9.894010696e+02 0.88 5.930002404e+02 5.930002404e+02 8.411974700e+02 8.411974700e+02 3.409318850e+02 3.409318850e+02 9.025604331e+02 9.025604331e+02 0.90 5.402563835e+02 5.402563835e+02 7.697107562e+02 7.697107562e+02 3.091465719e+02 3.091465719e+02 8.235505233e+02 8.235505233e+02 0.92 4.929248467e+02 4.929248467e+02 7.043432418e+02 7.043432418e+02 2.805328692e+02 2.805328692e+02 7.523818129e+02 7.523818129e+02 0.94 4.508831662e+02 4.508831662e+02 6.444588044e+02 6.444588044e+02 2.545865928e+02 2.545865928e+02 6.882483017e+02 6.882483017e+02 0.96 4.126976029e+02 4.126976029e+02 5.893596440e+02 5.893596440e+02 2.307848690e+02 2.307848690e+02 6.305173565e+02 6.305173565e+02 0.98 3.773604695e+02 3.773604695e+02 5.382261669e+02 5.382261669e+02 2.083432912e+02 2.083432912e+02 5.781435145e+02 5.781435145e+02 1.00 3.445841988e+02 3.445841988e+02 4.914854653e+02 4.914854653e+02 1.876676918e+02 1.876676918e+02 5.307413759e+02 5.307413759e+02 1.02 3.139528817e+02 3.139528817e+02 4.496592184e+02 4.496592184e+02 1.693211935e+02 1.693211935e+02 4.872306189e+02 4.872306189e+02 1.04 2.857479399e+02 2.857479399e+02 4.129953716e+02 4.129953716e+02 1.538632416e+02 1.538632416e+02 4.468562479e+02 4.468562479e+02 1.06 2.600164191e+02 2.600164191e+02 3.798252585e+02 3.798252585e+02 1.407580953e+02 1.407580953e+02 4.096834210e+02 4.096834210e+02 1.08 2.365065836e+02 2.365065836e+02 3.489468130e+02 3.489468130e+02 1.288519049e+02 1.288519049e+02 3.759687471e+02 3.759687471e+02 1.10 2.150686855e+02 2.150686855e+02 3.204688830e+02 3.204688830e+02 1.179747852e+02 1.179747852e+02 3.454448413e+02 3.454448413e+02 1.12 1.950615491e+02 1.950615491e+02 2.945822197e+02 2.945822197e+02 1.080335239e+02 1.080335239e+02 3.175043396e+02 3.175043396e+02 1.14 1.765749189e+02 1.765749189e+02 2.713748636e+02 2.713748636e+02 9.893214618e+01 9.893214618e+01 2.918564846e+02 2.918564846e+02 1.16 1.600681736e+02 1.600681736e+02 2.502893195e+02 2.502893195e+02 9.042006680e+01 9.042006680e+01 2.683517730e+02 2.683517730e+02 1.18 1.456579603e+02 1.456579603e+02 2.300203609e+02 2.300203609e+02 8.211608843e+01 8.211608843e+01 2.468111568e+02 2.468111568e+02 1.20 1.330596378e+02 1.330596378e+02 2.105297456e+02 2.105297456e+02 7.399655741e+01 7.399655741e+01 2.272154314e+02 2.272154314e+02 1.22 1.222348143e+02 1.222348143e+02 1.919859824e+02 1.919859824e+02 6.614486505e+01 6.614486505e+01 2.093142398e+02 2.093142398e+02 1.24 1.123505452e+02 1.123505452e+02 1.744945878e+02 1.744945878e+02 5.856196042e+01 5.856196042e+01 1.929742933e+02 1.929742933e+02 1.26 1.032469377e+02 1.032469377e+02 1.581189343e+02 1.581189343e+02 5.114819311e+01 5.114819311e+01 1.779458978e+02 1.779458978e+02 1.28 9.483320442e+01 9.483320442e+01 1.429484698e+02 1.429484698e+02 4.368994920e+01 4.368994920e+01 1.638928519e+02 1.638928519e+02 1.30 8.689923210e+01 8.689923210e+01 1.291208510e+02 1.291208510e+02 3.585739757e+01 3.585739757e+01 1.505898663e+02 1.505898663e+02 1.32 7.939452473e+01 7.939452473e+01 1.169207581e+02 1.169207581e+02 2.851469341e+01 2.851469341e+01 1.379337441e+02 1.379337441e+02 1.34 7.223552007e+01 7.223552007e+01 1.064320651e+02 1.064320651e+02 2.270824351e+01 2.270824351e+01 1.259596309e+02 1.259596309e+02 1.36 6.535870805e+01 6.535870805e+01 9.752739489e+01 9.752739489e+01 1.903367173e+01 1.903367173e+01 1.146100154e+02 1.146100154e+02 1.38 5.871844092e+01 5.871844092e+01 8.946926845e+01 8.946926845e+01 1.665625053e+01 1.665625053e+01 1.038378059e+02 1.038378059e+02 1.40 5.233516712e+01 5.233516712e+01 8.187033160e+01 8.187033160e+01 1.448767094e+01 1.448767094e+01 9.372536328e+01 9.372536328e+01 1.42 4.620428721e+01 4.620428721e+01 7.478886718e+01 7.478886718e+01 1.251119322e+01 1.251119322e+01 8.443263623e+01 8.443263623e+01 1.44 4.029962794e+01 4.029962794e+01 6.828470320e+01 6.828470320e+01 1.071138839e+01 1.071138839e+01 7.618365493e+01 7.618365493e+01 1.46 3.458298432e+01 3.458298432e+01 6.240690195e+01 6.240690195e+01 9.074035297e+00 9.074035297e+00 6.918082880e+01 6.918082880e+01 1.48 2.906539636e+01 2.906539636e+01 5.717213911e+01 5.717213911e+01 7.586025892e+00 7.586025892e+00 6.335936342e+01 6.335936342e+01 1.50 2.406850203e+01 2.406850203e+01 5.243708110e+01 5.243708110e+01 6.235278005e+00 6.235278005e+00 5.808612870e+01 5.808612870e+01 1.52 2.057353774e+01 2.057353774e+01 4.805507198e+01 4.805507198e+01 5.010655063e+00 5.010655063e+00 5.320723631e+01 5.320723631e+01 1.54 1.824568591e+01 1.824568591e+01 4.400067167e+01 4.400067167e+01 3.901892172e+00 3.901892172e+00 4.871357596e+01 4.871357596e+01 1.56 1.611072445e+01 1.611072445e+01 4.025026603e+01 4.025026603e+01 2.899528042e+00 2.899528042e+00 4.459490350e+01 4.459490350e+01 1.58 1.415397817e+01 1.415397817e+01 3.678193418e+01 3.678193418e+01 1.994842293e+00 1.994842293e+00 4.080374688e+01 4.080374688e+01 1.60 1.236201850e+01 1.236201850e+01 3.357532575e+01 3.357532575e+01 1.179797709e+00 1.179797709e+00 3.719209901e+01 3.719209901e+01 1.62 1.072238983e+01 1.072238983e+01 3.058978942e+01 3.058978942e+01 4.469870415e-01 4.469870415e-01 3.373720038e+01 3.373720038e+01 1.64 9.223539939e+00 9.223539939e+00 2.778062806e+01 2.778062806e+01 -2.104160017e-01 -2.104160017e-01 3.047089211e+01 3.047089211e+01 1.66 7.854755536e+00 7.854755536e+00 2.505735461e+01 2.505735461e+01 -8.568574863e-01 -8.568574863e-01 2.742578921e+01 2.742578921e+01 1.68 6.606102251e+00 6.606102251e+00 2.234087585e+01 2.234087585e+01 -1.546692705e+00 -1.546692705e+00 2.463362739e+01 2.463362739e+01 1.70 5.468368978e+00 5.468368978e+00 1.966940041e+01 1.966940041e+01 -2.256717275e+00 -2.256717275e+00 2.212257140e+01 2.212257140e+01 1.72 4.433016153e+00 4.433016153e+00 1.707650323e+01 1.707650323e+01 -2.982813481e+00 -2.982813481e+00 1.991017268e+01 1.991017268e+01 1.74 3.492127720e+00 3.492127720e+00 1.459206505e+01 1.459206505e+01 -3.743417726e+00 -3.743417726e+00 1.798046788e+01 1.798046788e+01 1.76 2.638366515e+00 2.638366515e+00 1.224915502e+01 1.224915502e+01 -4.562842614e+00 -4.562842614e+00 1.621699246e+01 1.621699246e+01 1.78 1.864932822e+00 1.864932822e+00 1.009320338e+01 1.009320338e+01 -5.404722985e+00 -5.404722985e+00 1.458787271e+01 1.458787271e+01 1.80 1.165525887e+00 1.165525887e+00 8.185748597e+00 8.185748597e+00 -6.058660264e+00 -6.058660264e+00 1.307424820e+01 1.307424820e+01 1.82 5.343081572e-01 5.343081572e-01 6.584697480e+00 6.584697480e+00 -6.245273436e+00 -6.245273436e+00 1.165387335e+01 1.165387335e+01 1.84 -3.412792245e-02 -3.412792245e-02 5.239536562e+00 5.239536562e+00 -6.294151370e+00 -6.294151370e+00 1.031170676e+01 1.031170676e+01 1.86 -5.447907615e-01 -5.447907615e-01 4.193101802e+00 4.193101802e+00 -6.324521919e+00 -6.324521919e+00 9.017072327e+00 9.017072327e+00 1.88 -1.002318275e+00 -1.002318275e+00 3.370810352e+00 3.370810352e+00 -6.338090865e+00 -6.338090865e+00 7.773865050e+00 7.773865050e+00 1.90 -1.413431579e+00 -1.413431579e+00 2.620985215e+00 2.620985215e+00 -6.336437531e+00 -6.336437531e+00 6.587864371e+00 6.587864371e+00 1.92 -1.829367126e+00 -1.829367126e+00 1.937255138e+00 1.937255138e+00 -6.321023423e+00 -6.321023423e+00 5.464344858e+00 5.464344858e+00 1.94 -2.252165374e+00 -2.252165374e+00 1.314789968e+00 1.314789968e+00 -6.293200301e+00 -6.293200301e+00 4.408642996e+00 4.408642996e+00 1.96 -2.661948936e+00 -2.661948936e+00 7.490876776e-01 7.490876776e-01 -6.254217726e+00 -6.254217726e+00 3.427137421e+00 3.427137421e+00 1.98 -3.045154313e+00 -3.045154313e+00 2.359528209e-01 2.359528209e-01 -6.205230096e+00 -6.205230096e+00 2.527018710e+00 2.527018710e+00 2.00 -3.395937544e+00 -3.395937544e+00 -2.285236165e-01 -2.285236165e-01 -6.147303230e+00 -6.147303230e+00 1.708474808e+00 1.708474808e+00 2.02 -3.713819269e+00 -3.713819269e+00 -6.479830694e-01 -6.479830694e-01 -6.081420507e+00 -6.081420507e+00 9.853234610e-01 9.853234610e-01 2.04 -3.995949903e+00 -3.995949903e+00 -1.025817026e+00 -1.025817026e+00 -6.008488600e+00 -6.008488600e+00 3.581565067e-01 3.581565067e-01 2.06 -4.226060468e+00 -4.226060468e+00 -1.365183519e+00 -1.365183519e+00 -5.929342834e+00 -5.929342834e+00 -1.658068693e-01 -1.658068693e-01 2.08 -4.371779590e+00 -4.371779590e+00 -1.669022556e+00 -1.669022556e+00 -5.844752184e+00 -5.844752184e+00 -5.834953226e-01 -5.834953226e-01 2.10 -4.411932742e+00 -4.411932742e+00 -1.940070540e+00 -1.940070540e+00 -5.755423938e+00 -5.755423938e+00 -9.471163096e-01 -9.471163096e-01 2.12 -4.418468587e+00 -4.418468587e+00 -2.180873768e+00 -2.180873768e+00 -5.662008051e+00 -5.662008051e+00 -1.269800804e+00 -1.269800804e+00 2.14 -4.414672522e+00 -4.414672522e+00 -2.393801044e+00 -2.393801044e+00 -5.565101211e+00 -5.565101211e+00 -1.552550312e+00 -1.552550312e+00 2.16 -4.401542397e+00 -4.401542397e+00 -2.581055482e+00 -2.581055482e+00 -5.465250629e+00 -5.465250629e+00 -1.797176219e+00 -1.797176219e+00 2.18 -4.380001001e+00 -4.380001001e+00 -2.744685534e+00 -2.744685534e+00 -5.362957574e+00 -5.362957574e+00 -2.006400661e+00 -2.006400661e+00 2.20 -4.350901219e+00 -4.350901219e+00 -2.886595310e+00 -2.886595310e+00 -5.258680671e+00 -5.258680671e+00 -2.188430252e+00 -2.188430252e+00 2.22 -4.304147837e+00 -4.304147837e+00 -3.011298160e+00 -3.011298160e+00 -5.127083802e+00 -5.127083802e+00 -2.352699632e+00 -2.352699632e+00 2.24 -4.228122538e+00 -4.228122538e+00 -3.118841932e+00 -3.118841932e+00 -4.944880398e+00 -4.944880398e+00 -2.500180017e+00 -2.500180017e+00 2.26 -4.121473698e+00 -4.121473698e+00 -3.204671715e+00 -3.204671715e+00 -4.716096601e+00 -4.716096601e+00 -2.626198276e+00 -2.626198276e+00 2.28 -3.983169774e+00 -3.983169774e+00 -3.264864755e+00 -3.264864755e+00 -4.445445900e+00 -4.445445900e+00 -2.726687291e+00 -2.726687291e+00 2.30 -3.812666315e+00 -3.812666315e+00 -3.296323258e+00 -3.296323258e+00 -4.138315507e+00 -4.138315507e+00 -2.798385320e+00 -2.798385320e+00 2.32 -3.610054072e+00 -3.610054072e+00 -3.296932240e+00 -3.296932240e+00 -3.800746302e+00 -3.800746302e+00 -2.838999754e+00 -2.838999754e+00 2.34 -3.376192365e+00 -3.376192365e+00 -3.266743811e+00 -3.266743811e+00 -3.439399863e+00 -3.439399863e+00 -2.847336070e+00 -2.847336070e+00 2.36 -3.112834464e+00 -3.112834464e+00 -3.200011671e+00 -3.200011671e+00 -3.061506015e+00 -3.061506015e+00 -2.823393931e+00 -2.823393931e+00 2.38 -2.822753775e+00 -2.822753775e+00 -3.086916290e+00 -3.086916290e+00 -2.674784189e+00 -2.674784189e+00 -2.768432457e+00 -2.768432457e+00 2.40 -2.509880475e+00 -2.509880475e+00 -2.919678954e+00 -2.919678954e+00 -2.287331789e+00 -2.287331789e+00 -2.685005269e+00 -2.685005269e+00 2.42 -2.179456354e+00 -2.179456354e+00 -2.693405071e+00 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