ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00! ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00! ELEMENT CU FCC_A1 6.3546E+01 5.0041E+03 3.3150E+01! ELEMENT MG HCP_A3 2.4305E+01 4.9980E+03 3.2671E+01! FUNCTION GHSERCU 298.15 -7770.458+130.485235*T-24.112392*T*LN(T) -.00265684*T**2+1.29223E-07*T**3+52478*T**(-1); 1357.77 Y -13542.026+183.803828*T-31.38*T*LN(T)+3.64167E+29*T**(-9); 3200 N ! FUNCTION GHSERMG 298.15 -8367.34+143.675547*T-26.1849782*T*LN(T) +4.858E-04*T**2-1.393669E-06*T**3+78950*T**(-1); 923 Y -14130.185+204.716215*T-34.3088*T*LN(T)+1.038192E+28*T**(-9); 3000 N ! FUNCTION GHCPCU 298.15 +GHSERCU+600+0.2*T; 3200 N ! FUNCTION GFCCMG 298.15 +GHSERMG+2600-0.9*T; 3000 N ! FUNCTION GLIQCU 298.15 +GHSERCU+12964.735-9.511904*T-5.8489E-21*T**7; 1357.77 Y -46.545+173.881484*T-31.38*T*LN(T); 3200 N ! FUNCTION GLIQMG 298.15 +GHSERMG+8202.243-8.83693*T-8.0176E-20*T**7; 923 Y -5439.869+195.324057*T-34.3088*T*LN(T); 3000 N ! $ L0 parameter for LIQUID phase (min start; max) OPTIMIZATION LIQ_AA -50000 -34000; 0 N ! OPTIMIZATION LIQ_AAT 0 4; 10 N ! $ L1 parameter for LIQUID phase OPTIMIZATION LIQ_BB -20000 -5000; 0 N ! OPTIMIZATION LIQ_BBT 0 3; +5 N ! $ L2 parameter for LIQUID phase OPTIMIZATION LIQ_CC -10000 -3000; 0 N ! OPTIMIZATION LIQ_CCT 0 7; +10 N ! PHASE LIQUID % 1 1.0 ! CONSTITUENT LIQUID :CU,MG : ! PARAMETER G(LIQUID,CU;0) 298.15 +GLIQCU; 3200 N ! PARAMETER G(LIQUID,MG;0) 298.15 +GLIQMG; 3000 N ! PARAMETER G(LIQUID,CU,MG;0) 298.15 LIQ_AA+LIQ_AAT*T; 3000 N ! PARAMETER G(LIQUID,CU,MG;1) 298.15 LIQ_BB+LIQ_BBT*T; 3000 N ! PARAMETER G(LIQUID,CU,MG;2) 298.15 LIQ_CC+LIQ_CCT*T; 3000 N ! $ L0 parameter for FCC_A1 phase OPTIMIZATION FCC_AA -20000 -10000; 0 N ! OPTIMIZATION FCC_AAT 0 0; +15 N ! $ L1 parameter for FCC_A1 phase OPTIMIZATION FCC_BB -25000 0; 0 N ! OPTIMIZATION FCC_BBT 0 0; +5 N ! PHASE FCC_A1 % 2 1 1 ! CONSTITUENT FCC_A1 :CU%,MG : VA : ! PARAMETER G(FCC_A1,CU:VA;0) 298.15 +GHSERCU; 3200 N ! PARAMETER G(FCC_A1,MG:VA;0) 298.15 +GFCCMG; 3000 N ! PARAMETER G(FCC_A1,CU,MG:VA;0) 298.15 FCC_AA+FCC_AAT*T; 3000 N ! PARAMETER G(FCC_A1,CU,MG:VA;1) 298.15 FCC_BB+FCC_BBT*T; 3000 N ! $ L0 parameter for HCP_A3 phase OPTIMIZATION HCP_AA 0 +25000; +30000 N ! OPTIMIZATION HCP_AAT -10 0; 0 N ! $ L1 parameter for HCP_A3 phase OPTIMIZATION HCP_BB 0 0; +10000 N ! OPTIMIZATION HCP_BBT -5 0; 0 N ! PHASE HCP_A3 % 2 1 0.5 ! CONSTITUENT HCP_A3 :CU,MG% : VA : ! PARAMETER G(HCP_A3,CU:VA;0) 298.15 +GHCPCU; 3200 N ! PARAMETER G(HCP_A3,MG:VA;0) 298.15 +GHSERMG; 3000 N ! PARAMETER G(HCP_A3,CU,MG:VA;0) 298.15 HCP_AA+HCP_AAT*T; 3000 N ! PARAMETER G(HCP_A3,CU,MG:VA;1) 298.15 HCP_BB+HCP_BBT*T; 3000 N ! OPTIMIZATION CUMG2_H -30000 -27000; 0 N ! OPTIMIZATION CUMG2_S -25 -20; 0 N ! PHASE CUMG2 % 2 1 2 ! CONSTITUENT CUMG2 :CU : MG : ! PARAMETER G(CUMG2,CU:MG;0) 298.15 +GHSERCU+2*GHSERMG +CUMG2_H+CUMG2_S*T+2.4491*T*LN(T); 3000 N ! FUNCTION GC15 1 -19778.06667-0.05284616917*T*T-7.13752931E-07*T**4; 80 Y -22047.02039+119.0110591*T-22.88029900*T*LN(T)-0.003191777648*T*T +33760.95465*T**(-1); 1500 N ! OPTIMIZATION C15_H -5000 3000; +5000 N ! OPTIMIZATION C15_S -5 3; +5 N ! OPTIMIZATION C15_AA -20000 +10000; +20000 N ! OPTIMIZATION C15_BB -10000 0; +10000 N ! PHASE LAVES_C15 % 2 2 1 ! CONSTITUENT LAVES_C15 :CU%,MG : CU,MG% : ! PARAMETER G(LAVES_C15,CU:CU;0) 298.15 3*GHSERCU+46102; 2000 N ! PARAMETER G(LAVES_C15,MG:MG;0) 298.15 3*GHSERMG+21870; 2000 N ! PARAMETER G(LAVES_C15,MG:CU;0) 298.15 +GHSERCU+2*GHSERMG +107920; 2000 N ! PARAMETER G(LAVES_C15,CU:MG;0) 1 +3*GC15+3*C15_H+3*C15_S*T; 2000 N ! PARAMETER G(LAVES_C15,CU,MG:CU;0) 298.15 C15_AA; 2000 N ! PARAMETER G(LAVES_C15,CU,MG:MG;0) 298.15 C15_AA; 2000 N ! PARAMETER G(LAVES_C15,CU:CU,MG;0) 298.15 C15_BB; 2000 N ! PARAMETER G(LAVES_C15,MG:CU,MG;0) 298.15 C15_BB; 2000 N !