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 N DIMER 14.007d+00 4.88d+00 1.100d+00 5.9600d+00 1.80d+00 2.20d+00 1.70d+00 .000 4.00 1.65d+00 4.00d+00 0.05d+00 1.00d+00 0.00d+00 2.70d+01 2.002.80 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 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Alloy Ref.St delta_Ec Re B Eu_d Ciji Cjij Ciij Cijj AU Ga-N ZnS_B3 -0.5600d+00 1.9400d+00 1.2482d+00 -0.01 0.00 0.00 0.00 2.00 EC 4.00 2.80 2.80 2.80 2.80 In-N ZnS_B3 -0.1650d+00 2.1564d+00 0.8613d+00 -0.01 0.00 0.00 0.00 2.00 EC 4.00 2.80 2.80 2.80 2.80 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 Ga-In-N 4.00 2.80 2.80 2.80 1.45 1.71 1.71 EC XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Multicomponent Rcutoff = 5.20 EOF XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX 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). Ga-N, In-N, Ga-In & Ga-In-N: "Atomistic modeling of III-V nitrides: modified embedded-atom method interatomic potentials for GaN, InN and Ga1-xInxN," Eun Cheol Do, Young-Han Shin and Byeong-Joo Lee, J. Phys.: Condensed Matter 21, 325801 (2009). EOF