El Ref.St mass Ec Re B A beta(0) beta(1) beta(2) beta(3) t(1) t(2) t(3) Rho_zero Cmin Fe BCC_A2 55.847d+00 4.29d+00 2.480d+00 1.0797d+00 0.56d+00 4.15d+00 1.00d+00 .050 3.60 1.00d+00 1.00d+00 2.60d+00 1.80d+00 -7.20d+00 1.00d+00 0.362.80 Cr BCC_A2 51.960d+00 4.10d+00 2.495d+00 1.1864d+00 0.42d+00 6.81d+00 1.00d+00 .000 3.60 1.00d+00 1.00d+00 0.30d+00 5.90d+00 -1.04d+01 1.00d+00 0.782.80 Mo BCC_A2 89.960d+00 6.81d+00 2.725d+00 1.6557d+00 0.46d+00 7.03d+00 1.00d+00 .000 3.80 1.00d+00 1.00d+00 0.50d+00 3.10d+00 -7.50d+00 1.00d+00 0.642.80 W BCC_A2 183.850d+00 8.66d+00 2.740d+00 1.9609d+00 0.40d+00 6.54d+00 1.00d+00 .000 3.80 1.00d+00 1.00d+00 -.60d+00 0.30d+00 -8.70d+00 1.00d+00 0.492.80 V BCC_A2 50.942d+00 5.30d+00 2.625d+00 0.9800d+00 0.73d+00 4.74d+00 1.00d+00 .000 3.60 2.50d+00 1.00d+00 3.30d+00 3.20d+00 -2.00d+00 1.00d+00 0.492.80 Nb BCC_A2 92.906d+00 7.47d+00 2.860d+00 1.0797d+00 0.72d+00 5.08d+00 1.00d+00 .000 4.00 2.50d+00 1.00d+00 1.70d+00 2.80d+00 -1.60d+00 1.00d+00 0.362.80 Ta BCC_A2 180.948d+00 8.09d+00 2.860d+00 1.2120d+00 0.67d+00 4.49d+00 1.00d+00 .000 4.00 1.00d+00 1.00d+00 1.70d+00 2.10d+00 -3.20d+00 1.00d+00 0.252.80 Mn BCC_A2 54.940d+00 2.90d+00 2.530d+00 0.8500d+00 0.70d+00 4.30d+00 1.00d+00 .000 4.00 2.00d+00 6.50d+00 4.00d+00 -3.00d+00 -4.00d+00 1.00d+00 0.162.80 Li BCC_A2 6.940d+00 1.65d+00 3.020d+00 0.0830d+00 0.95d+00 1.65d+00 1.00d+00 .050 3.60 4.00d+00 1.00d+00 2.30d+00 5.00d+00 0.50d+00 1.00d+00 0.162.80 CC CC Ni FCC_A1 58.690d+00 4.45d+00 2.490d+00 1.1708d+00 0.94d+00 2.56d+00 1.50d+00 .050 4.00 6.00d+00 1.50d+00 3.10d+00 1.80d+00 4.36d+00 1.00d+00 0.812.80 Pd FCC_A1 106.420d+00 3.91d+00 2.750d+00 1.2201d+00 0.94d+00 5.15d+00 2.20d+00 .050 4.50 6.00d+00 2.20d+00 4.50d+00 1.47d+00 4.85d+00 1.00d+00 1.692.80 Pt FCC_A1 195.080d+00 5.77d+00 2.770d+00 1.7999d+00 0.90d+00 4.92d+00 2.20d+00 .050 4.50 6.00d+00 2.20d+00 3.94d+00 -2.20d+00 3.84d+00 1.00d+00 1.532.80 CC CC Cu FCC_A1 63.546d+00 3.54d+00 2.555d+00 0.8862d+00 0.94d+00 3.83d+00 2.20d+00 .050 4.00 6.00d+00 2.20d+00 2.72d+00 3.04d+00 1.95d+00 1.00d+00 1.212.80 Ag FCC_A1 107.868d+00 2.85d+00 2.880d+00 0.6784d+00 0.94d+00 4.73d+00 2.20d+00 .050 4.50 6.00d+00 2.20d+00 3.40d+00 3.00d+00 1.50d+00 1.00d+00 1.382.80 Au FCC_A1 196.967d+00 3.93d+00 2.880d+00 1.1253d+00 1.00d+00 5.77d+00 2.20d+00 .050 4.50 6.00d+00 2.20d+00 2.90d+00 1.64d+00 2.00d+00 1.00d+00 1.532.80 Al FCC_A1 26.982d+00 3.36d+00 2.860d+00 0.4955d+00 1.16d+00 3.20d+00 2.60d+00 .050 4.50 6.00d+00 2.60d+00 3.05d+00 0.51d+00 7.75d+00 1.00d+00 0.492.80 Pb FCC_A1 207.200d+00 2.04d+00 3.500d+00 0.3046d+00 1.01d+00 5.42d+00 2.20d+00 .050 5.50 6.00d+00 2.20d+00 3.10d+00 3.91d+00 1.25d+00 1.00d+00 0.812.80 CC CC C DIA_A4 12.011d+00 7.37d+00 1.540d+00 2.7750d+00 1.18d+00 4.25d+00 2.80d+00 .000 4.00 2.00d+00 5.00d+00 3.20d+00 1.44d+00 -4.48d+00 6.00d+00 1.412.80 Si DIA_A4 28.086d+00 4.63d+00 2.350d+00 0.6191d+00 0.58d+00 3.55d+00 2.50d+00 .000 4.50 0.00d+00 7.50d+00 1.80d+00 5.25d+00 -2.61d+00 1.88d+00 1.412.80 Ge DIA_A4 72.590d+00 3.85d+00 2.450d+00 0.4793d+00 0.66d+00 3.95d+00 2.00d+00 .000 4.50 0.00d+00 7.50d+00 2.90d+00 5.77d+00 -2.20d+00 1.88d+00 1.412.80 CC CC Ti HCP_A3 47.880d+00 4.87d+00 2.920d+00 0.6846d+00 0.66d+00 2.70d+00 1.00d+00 .000 4.80 3.00d+00 1.00d+00 6.80d+00 -2.00d+00 -1.20d+01 1.00d+00 1.001.44 Zr HCP_A3 91.220d+00 6.36d+00 3.200d+00 0.6040d+00 0.68d+00 2.45d+00 1.00d+00 .000 5.20 3.00d+00 2.00d+00 6.30d+00 -3.30d+00 -1.00d+01 1.00d+00 1.001.44 Co HCP_A3 58.933d+00 4.41d+00 2.500d+00 1.2157d+00 0.90d+00 3.50d+00 0.00d+00 .000 3.70 0.00d+00 4.00d+00 3.00d+00 5.00d+00 -1.00d+00 1.00d+00 0.492.00 Mg HCP_A3 24.320d+00 1.55d+00 3.200d+00 0.2303d+00 0.52d+00 2.30d+00 1.00d+00 .000 4.80 3.00d+00 1.00d+00 9.00d+00 -2.00d+00 -9.50d+00 1.00d+00 0.492.80 CC CC O DIMER 16.000d+00 2.56d+00 1.210d+00 5.6000d+00 1.36d+00 4.55d+00 2.00d+00 .000 4.00 2.00d+00 2.00d+00 0.01d+00 0.01d+00 -.01d+00 3.75d+00 1.002.80 N DIMER 14.007d+00 4.88d+00 1.100d+00 5.9600d+00 1.80d+00 2.75d+00 4.00d+00 .000 4.00 4.00d+00 4.00d+00 0.05d+00 1.00d+00 0.00d+00 1.80d+01 2.002.80 H DIMER 1.008d+00 2.37d+00 0.741d+00 2.9600d+00 2.50d+00 2.96d+00 3.00d+00 .000 4.00 3.00d+00 2.50d+00 0.20d+00 -0.10d+00 0.00d+00 1.80d+01 2.002.80 CC CC In FCC_A1 114.820d+00 2.51d+00 3.328d+00 0.2700d+00 1.00d+00 5.06d+00 5.50d+00 .050 4.50 5.46d+00 2.00d+00 3.00d+00 3.10d+00 2.50d+00 1.00d+00 1.502.80 Ga FCC_A1 69.720d+00 2.90d+00 3.003d+00 0.329d+00 0.97d+00 4.80d+00 3.10d+00 .097 5.00 6.00d+00 0.50d+00 2.72d+00 2.06d+00 -4.00d+00 1.00d+00 1.402.80 P BCC_A2 30.974d+00 2.72d+00 2.600d+00 0.6750d+00 1.83d+00 2.44d+00 5.00d+00 .000 4.50 1.00d+00 1.00d+00 0.50d+00 1.80d+00 -1.00d+00 1.00d+00 1.482.80 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Alloy Ref.St delta_Ec Re B Eu_d Ciji Cjij Ciij Cijj AU Fe-Cr BCC_B2 0.0970d+00 0.0000d+00 0.0000d+00 0.00 0.00 0.00 0.00 0.00 BJ 4.00 0.00 0.00 0.00 0.00 Co-Cu L12AB3 0.1150d+00 2.5550d+00 0.0000d+00 0.00 0.00 0.00 0.00 0.00 JH 3.70 0.00 0.00 0.00 0.00 W -Ni L12AB3 -0.0800d+00 2.5570d+00 1.9900d+00 0.00 0.52 0.00 2.25 2.25 JH 4.50 0.00 0.00 0.00 0.00 Cu-Ni L12AB3 0.0300d+00 0.0000d+00 0.0000d+00 0.00 0.00 0.00 0.00 0.00 BJ 4.00 0.00 0.00 0.00 0.00 Fe-Cu L12A3B 0.1580d+00 2.5700d+00 1.0272d+00 0.00 0.00 0.00 0.00 0.00 BJ 4.00 0.00 0.00 0.00 0.00 Fe-C L12A3B 0.9500d+00 2.3640d+00 1.6500d+00 0.00 0.00 0.16 0.16 0.16 BJ 3.60 0.00 1.44 0.00 0.00 Fe-N FCC_B1 0.7000d+00 2.0900d+00 1.3700d+00 0.00 0.16 0.16 0.16 0.00 BJ 3.60 1.44 0.00 0.00 0.00 Fe-H FCC_B1 0.1640d+00 1.8350d+00 1.8411d+00 0.00 0.00 0.00 2.15 0.00 BJ 3.60 1.44 0.00 0.00 0.00 Al-H FCC_B1 0.6800d+00 1.8750d+00 0.7000d+00 0.00 0.64 0.09 0.49 0.49 WS 4.70 2.80 2.80 2.80 1.44 Ni-H FCC_B1 0.0400d+00 1.8650d+00 1.0800d+00 0.00 0.04 0.49 1.80 0.00 WS 4.00 2.00 2.80 2.80 2.80 V -H FCC_B1 -0.1200d+00 1.9700d+00 1.2600d+00 0.00 0.36 0.16 0.64 0.36 JH 4.00 2.80 2.80 2.80 2.80 Ti-C FCC_B1 -0.7800d+00 2.2100d+00 1.5100d+00 0.00 0.64 0.64 0.00 0.00 BJ 4.80 1.44 2.80 2.80 2.80 Ti-N FCC_B1 -1.7400d+00 2.1210d+00 1.9975d+00 0.00 0.16 0.09 0.81 0.00 YM 4.80 2.80 2.80 1.44 2.80 Nb-C FCC_B1 -0.7300d+00 2.2800d+00 2.1220d+00 0.00 0.49 0.64 2.00 2.00 HK 4.50 1.44 0.00 0.00 0.00 Nb-N FCC_B1 -1.2300d+00 2.1975d+00 2.2100d+00 0.00 0.36 0.81 0.00 0.00 HK 4.50 2.00 0.00 0.00 0.00 Fe-Ti BCC_B2 -0.2200d+00 2.5800d+00 1.1800d+00 0.00 1.21 0.78 0.00 0.00 IY 4.80 2.80 2.80 2.80 2.80 Fe-Nb L12AB3 0.0450d+00 2.8370d+00 1.0797d+00 0.00 1.00 0.36 0.00 0.00 IY 4.00 2.80 2.80 2.80 2.80 Fe-Pt L12AB3 -0.4600d+00 2.7181d+00 1.6352d+00 0.00 0.00 0.00 0.00 0.00 JS 4.00 0.00 0.00 0.00 0.00 Fe-Mn BCC_B2 0.0000d+00 2.4990d+00 0.0000d+00 0.00 0.64 0.64 0.49 0.49 YM 4.00 0.00 0.00 0.00 0.00 Fe-Al L12A3B -0.1800d+00 2.5900d+00 0.0000d+00 0.00 0.00 1.21 1.00 0.00 EK 4.00 2.80 2.80 2.80 2.80 Fe-P BCC_B2 -0.4200d+00 2.4350d+00 1.2500d+00 0.00 0.36 1.00 0.76 2.00 WS 4.50 2.80 2.00 2.00 2.80 Ti-Cu BCC_B2 -0.0600d+00 2.7500d+00 0.8000d+00 0.00 0.49 0.49 1.15 0.49 YM 4.50 1.44 1.44 2.80 2.80 Zr-Cu BCC_B2 -0.1200d+00 2.8221d+00 0.7450d+00 0.00 0.00 0.00 0.00 0.00 YM 5.00 1.44 1.44 2.80 1.44 Zr-Ag BCC_B2 -0.0400d+00 2.9700d+00 0.6706d+00 0.00 1.00 1.00 0.00 0.00 IY 5.00 1.44 1.44 2.80 2.80 Ag-Cu FCC_B1 0.3460d+00 2.5340d+00 0.7250d+00 0.00 0.00 0.00 0.00 0.00 IY 4.50 0.00 0.00 0.00 0.00 Al-Mg L12A3B -0.0050d+00 2.9510d+00 0.3800d+00 0.00 0.49 0.49 0.36 0.36 YM 4.80 2.80 2.80 2.80 2.80 Mg-Li BCC_B2 -0.0400d+00 2.9500d+00 0.1300d+00 0.00 0.81 0.16 0.00 0.00 YM 4.80 2.80 2.80 2.80 1.44 Ni-V L12A3B -0.0950d+00 2.5480d+00 1.2800d+00 0.00 0.81 1.00 1.00 1.00 KK 4.00 2.80 1.44 1.44 1.44 Al-V FCC_B1 0.3700d+00 2.6780d+00 0.7370d+00 0.00 0.36 0.49 0.49 0.25 HS 4.50 2.80 2.80 2.80 2.80 Co-Al BCC_B2 -0.5650d+00 2.4768d+00 1.0112d+00 0.00 0.49 1.10 0.00 0.00 DW 4.50 2.00 2.80 2.80 2.80 CC CC Ge-Si ZnS_B3 0.0100d+00 2.3977d+00 0.0000d+00 0.00 0.00 0.00 0.00 0.00 BJ 4.50 0.00 0.00 0.00 0.00 Ga-In FCC_B1 0.1355d+00 0.0000d+00 0.0000d+00 0.00 0.00 0.78 0.00 2.30 EC 4.00 0.00 0.00 0.00 0.00 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Cmax 2.80 XXXX Cmin Aver XXXXXXX Ternary Rcut Cikj Cijk Cjik Cikj Cijk Cjik AU Zr-Ag-Cu 5.00 2.06 2.06 1.44 1.14 1.14 1.10 KH Fe-Ti-C 4.80 2.06 2.80 2.80 0.49 0.56 0.56 HK Fe-Ti-N 4.80 2.06 2.06 2.06 0.16 0.42 0.42 HK Fe-Nb-C 4.50 2.06 2.80 2.80 0.49 0.82 0.82 HK Fe-Nb-N 4.50 1.71 2.80 2.80 0.25 0.49 0.49 HK CC Ni-V -H 4.00 2.38 2.80 2.80 0.16 1.15 1.15 WS Al-V -H 4.70 2.80 2.80 2.80 0.49 0.56 0.56 WS XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Multicomponent Rcutoff = 5.20 EOF XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Fe, Cr, Mo, W, V, Nb, Ta: "Second Nearest-Neighbor Modified Embedded Atom Method Potentials for BCC Transition Metals", Byeong-Joo Lee, M.I. Baskes, Hanchul Kim and Yang Koo Cho, Phys. Rev. B. 64, 184102 (2001). Ni, Pd, Pt, Cu, Ag, Au, Al, Pb: "Semi-empirical atomic potentials for the FCC metals Cu, Ag, Au, Ni, Pd, Pt, Al and Pb based on first and second nearest-neighbor modified embedded atom method," Byeong-Joo Lee, Jae-Hyeok Shim and M.I. Baskes, Phys. Rev. B. 68, 144112 (2003). C: "A Modified Embedded Atom Method Interatomic Potential for Carbon," Byeong-Joo Lee and Jin Wook Lee, CALPHAD 29, 7-16 (2005). Ti, Zr: "Modified Embedded Atom Method Interatomic Potentials for Ti and Zr," Young-Min Kim, Byeong-Joo Lee and M.I. Baskes, Phys. Rev. B 74, 014101 (2006). Si: "A Modified Embedded Atom Method Interatomic Potential for Silicon," Byeong-Joo Lee, CALPHAD 31, 95-104 (2007). Ge: "A Modified Embedded Atom Method Interatomic Potential for Germanium," Eun-Ha Kim, Young-Han Shin and Byeong-Joo Lee, CALPHAD 32, 34-42 (2008). In: "A Modified Embedded Atom Method Interatomic Potential for Indium," Eun Cheol Do, Young-Han Shin and Byeong-Joo Lee, CALPHAD 32, 82-88 (2008). Fe-Cr: "A Semi-Empirical Atomic Potential for the Fe-Cr Binary System," Byeong-Joo Lee, Jae-Hyeok Shim and Hyun Min Park, CALPHAD 25, 527-534 (2001). Co-Cu: "Monte Carlo simulation of phase separation behavior in a Cu-Co alloy nano particle," Jae-Hyeok Shim, Byeong-Joo Lee, Jae-Pyoung Ahn, Young Whan Cho and Jong-Ku Park, J. Materials Research 17, 925-928 (2002). Ni-W: "Modified Embedded-Atom Method Calculation for the Ni-W System," Jae-Hyeok Shim, Sung Il Park, Young Whan Cho and Byeong-Joo Lee, J. Materials Research 18, 1863-1867 (2003). Cu-Ni: "A Modified Embedded Atom Method Interatomic Potential for the Cu-Ni System," Byeong-Joo Lee and Jae-Hyeok Shim, CALPHAD 28, 125-132 (2004). Fe-Cu: "An MEAM Interatomic Potential for the Fe-Cu Alloy System and Cascade Simulation on pure Fe and Fe-Cu Alloy," Byeong-Joo Lee, Brian D. Wirth, Jae-Hyeok Shim, Junhyun Kwon, Sang Chul Kwon, Jun-Hwa Hong, Phys. Rev. B. 71, 184205 (2005). Fe-C: "A Modified Embedded Atom Method Interatomic Potential for the Fe-C System," Byeong-Joo Lee, Acta Materialia 54, 701-711 (2006). Fe-Pt: "Modified embedded-atom method interatomic potential for the Fe-Pt alloy system," Jaesong Kim, Yangmo Koo and Byeong-Joo Lee, J. Materials Research 21, 199-208 (2006). Fe-N: "A Modified Embedded-Atom Method Interatomic Potential for the Fe-N System: A Comparative Study with the Fe-C System," Byeong-Joo Lee, Tae-Ho Lee and Sung-Joon Kim, Acta Materialia 54, 4597-4607 (2006). Fe-H: "A Modified Embedded-Atom Method Interatomic Potential for the Fe-H System," Byeong-Joo Lee, Je-Wook Jang, Acta Materialia 55, 6779-6788 (2008). Cu-Ti: "A Semi-Empirical Interatomic Potential for the Cu-Ti Binary System," Young-Min Kim and Byeong-Joo Lee, Materials Science and Engineering A 449-451,733-736 (2007). Cu-Zr: "A Modified Embedded-Atom Method Interatomic Potential for the Cu-Zr System," Young-Min Kim and Byeong-Joo Lee, J. Mater. Research 23, 1095-1104 (2008). Ti-C & Ti-N: "Modified Embedded-Atom Method Interatomic Potentials for the Ti-C and Ti-N Systems," Young-Min Kim and Byeong-Joo Lee, Acta Materialia 56, 3481-3489 (2008). Fe-Ti & Fe-Nb: "Modified Embedded-Atom Method Interatomic Potentials for the Ti-C and Ti-N Systems," Inyoung Sa and Byeong-Joo Lee, Scripta Materialia 59, 595-598 (2008). Mn & Fe-Mn: "Modified Embedded-Atom Method Interatomic Potentials for pure Mn and Fe-Mn System," Young-Min Kim, Young-Han Shin and Byeong-Joo Lee, Acta Materialia 57, 474-482 (2009). Fe-Ti-C & Fe-Ti-N: "Modified Embedded-Atom Method Interatomic Potentials for the Fe-Ti-C and Fe-Ti-N Systems," Hyun-Kyu Kim, Woo-Sang Jung and Byeong-Joo Lee, Acta Materialia 57, 3140-3147 (2009). Cu-Ag, Zr-Ag & Cu-Zr-Ag: "An atomistic modeling of the Cu-Zr-Ag bulk metallic glass system," Kyung-Han Kang, Inyoung Sa, Jae-Chul Lee, Eric Fleury and Byeong-Joo Lee, Scripta Materialia (2009), 61, 801-804 (2009). Mg & Mg-Al: "Atomistic modeling of pure Mg and Mg-Al System," Young-Min Kim, Nack J. Kim and Byeong-Joo Lee, CALPHAD 33, 650-657 (2009). Fe-Al: "Modified embedded-atom method interatomic potential for the Fe-Al system," Eunkoo Lee and Byeong-Joo Lee, J. Phys.: Condensed Matter 22, 175702 (2010). Nb-C, Nb-N, Fe-Nb-C & Fe-Nb-N: "Modified embedded-atom method interatomic Potentials for the Nb-C, Nb-N, Fe-Nb-C and Fe-Nb-N Systems," Hyun-Kyu Kim, Woo-Sang Jung and Byeong-Joo Lee, J. Materials Research 25, 1288-1297 (2010). Al-H & Ni-H "Atomistic modeling of the Al-H and Ni-H systems," Won-Seok Ko, Jae-Hyeok Shim and Byeong-Joo Lee, J. Mater. Res. 26, 1552-1560 (2011). V-H "A modified embedded-atom method interatomic potential for the V-H system," Jae-Hyeok Shim, Young-Su Lee, Eric Fleury, Young Whan Cho, Won-Seok Ko, Byeong-Joo Lee, CALPHAD 35, 302-307 (2011). Mg-Li "Atomistic modeling of pure Li and Mg-Li system," Young-Min Kim, In-Ho Jung, Byeong-Joo Lee, Modelling Simul. Mater. Sci. Eng. 20, 035005 (2012). P & Fe-P "Atomistic Modeling of an impurity element and a metal-impurity system: pure P and Fe-P system," Won-Seok Ko, Nack. J. Kim and Byeong-Joo Lee, Journal of Physics: Condensed Matter (2012), accepted for publication. EOF