Mobility fitting

.github/workflows/pytest.yaml

@@ -25,10 +25,16 @@ jobs:
     - run: python -m pip install -U pip setuptools
     - name: Install pycalphad development version
       if: matrix.pycalphad_develop_version
-      run: python -m pip install git+https://github.com/pycalphad/pycalphad.git@develop
+      run: python -m pip install git+https://github.com/pycalphad/pycalphad.git@develop#egg=pycalphad
+    - name: Install espei development version
+      if: matrix.pycalphad_develop_version
+      run: python -m pip install git+https://github.com/PhasesResearchLab/ESPEI.git@master#egg=espei
     - name: Save pycalphad version
       run: |
         echo "PYCALPHAD_VERSION=$(python -c "from importlib.metadata import version;print(version('pycalphad'))")" >> $GITHUB_ENV
+    - name: Save espei version
+      run: |
+        echo "ESPEI_VERSION=$(python -c "from importlib.metadata import version;print(version('espei'))")" >> $GITHUB_ENV
     - run: python -m pip install build
     - run: python -m build --wheel
     - run: python -m pip install dist/*.whl
@@ -41,7 +47,7 @@ jobs:
     - run: coverage xml
     - uses: actions/upload-artifact@v4
       with:
-        name: coverage-${{ matrix.os }}-${{ matrix.python-version }}-pycalphad-${{ env.PYCALPHAD_VERSION }}
+        name: coverage-${{ matrix.os }}-${{ matrix.python-version }}-pycalphad-${{ env.PYCALPHAD_VERSION }}-espei-${{ env.ESPEI_VERSION }}
         path: coverage.xml
 
   Upload-Coverage:

examples/mobility_fitting/databases/CuNi.tdb

@@ -0,0 +1,67 @@
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$$ Cu-Ni thermodynamic database
+$$
+$$ Unaries from SGTE 1991
+$$ Binary assessment from S. Mey, Calphad 16:3 (1992) 255
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+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 NI   FCC_A1                    5.8690E+01  4.7870E+03  2.9796E+01 !
+
+ TYPE_DEFINITION % SEQ *!
+ DEFINE_SYSTEM_DEFAULT SPECIE 2 !
+ DEFAULT_COMMAND DEF_SYS_ELEMENT VA !
+
+ TYPE_DEFINITION ( GES A_P_D FCC_A1 MAGNETIC -3.0 0.28 !
+ PHASE FCC_A1 %( 2 1 1 !
+ CONSTITUENT FCC_A1 : CU,NI : VA : !
+
+ PHASE LIQUID:L % 1 1 !
+ CONSTITUENT LIQUID:L : CU,NI : !
+
+$ Cu
+$ -------------------------------------
+ FUNCTION GHSERCU  298.15
+ -7770.458+130.485235*T-24.112392*T*LN(T)-2.65684E-3*T**2+0.129223E-6*T**3
+ +52478*T**(-1);  1357.77 Y
+ -13542.026+183.803828*T-31.38*T*LN(T)+364.167E27*T**(-9);  3200.00 N !
+
+ FUNCTION GBCCCU 298.15 4017-1.255*T+GHSERCU; 3200 N !
+
+ FUNCTION GHCPCU 298.15 600+0.2*T+GHSERCU; 3200 N !
+
+ FUNCTION GLIQCU 298.15 12964.735-9.511904*T-584.89E-23*T**7+GHSERCU; 1357.77 Y
+ -46.545+173.881484*T-31.38*T*LN(T); 3200 N !
+
+$ Ni
+$ -------------------------------------
+ FUNCTION GHSERNI  298.15
+ -5179.159+117.854*T-22.096*T*LN(T)-4.8407E-3*T**2;  1728.00 Y
+ -27840.620+279.134977*T-43.1*T*LN(T)+1127.54E28*T**(-9);  3000.00 N !
+
+ FUNCTION GLIQNI 298.15 16414.686-9.397*T-382.318E-23*T**7+GHSERNI; 1728 Y
+ -9549.817+268.597977*T-43.1*T*LN(T); 3000 N !
+
+ FUNCTION GBCCNI 298.15 8715.084-3.556*T+GHSERNI; 3000 N !
+
+ FUNCTION GHCPNI 298.15 1046+1.2552*T+GHSERNI; 3000 N !
+
+$ Unaries parameters
+ PARAMETER G(FCC_A1,CU:VA;0) 298.15 GHSERCU; 3200 N !
+ PARAMETER G(LIQUID,CU;0) 298.15 GLIQCU; 3200 N !
+
+ PARAMETER G(FCC_A1,NI:VA;0) 298.15 GHSERNI; 3000 N !
+ PARAMETER TC(FCC_A1,NI:VA;0) 298.15 633; 3000 N !
+ PARAMETER BM(FCC_A1,NI:VA;0) 298.15 0.52; 3000 N !
+ PARAMETER G(LIQUID,NI;0) 298.15 GLIQNI; 3000 N !
+
+$ Binary parameters
+ PARAMETER G(FCC_A1,CU,NI:VA;0) 298.15 8047.72 + 3.42217*T; 6000 N !
+ PARAMETER G(FCC_A1,CU,NI:VA;1) 298.15 -2041.30 + 0.99714*T; 6000 N !
+ PARAMETER TC(FCC_A1,CU,NI:VA;0) 298.15 -935.5; 3000 N !
+ PARAMETER TC(FCC_A1,CU,NI:VA;1) 298.15 -594.9; 3000 N !
+ PARAMETER BM(FCC_A1,CU,NI:VA;0) 298.15 -0.732; 3000 N !
+ PARAMETER BM(FCC_A1,CU,NI:VA;1) 298.15 -0.317; 3000 N !
+
+ PARAMETER G(LIQUID,CU,NI;0) 298.15 12048.61 + 1.29093*T; 6000 N !
+ PARAMETER G(LIQUID,CU,NI;1) 298.15 -1861.61 + 0.94201*T; 6000 N !

examples/mobility_fitting/databases/CuNi_manual_fit.tdb

@@ -0,0 +1,76 @@
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$ Date: 2026-06-02 08:36
+$ Components: CU, NI, VA
+$ Phases: FCC_A1, LIQUID
+$ Generated by ury3 (pycalphad 0.11.2.dev33+g4a81c89c3)
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+ELEMENT CU FCC_A1 63.546 5004.1 33.15 !
+ELEMENT NI FCC_A1 58.69 4787.0 29.796 !
+ELEMENT VA VACUUM 0.0 0.0 0.0 !
+
+
+FUNCTION GBCCCU 298.15 4017.0-1.255*T+GHSERCU; 3200.0 N !
+FUNCTION GBCCNI 298.15 8715.084-3.556*T+GHSERNI; 3000.0 N !
+FUNCTION GHCPCU 298.15 600.0+0.2*T+GHSERCU; 3200.0 N !
+FUNCTION GHCPNI 298.15 1046.0+1.2552*T+GHSERNI; 3000.0 N !
+FUNCTION GHSERCU 298.15 -7770.458+130.485235*T-24.112392*T*LOG(T)
+  +1.29223E-07*T**(3)-0.00265684*T**(2)+52478.0*T**(-1); 1357.77 Y -13542.026
+  +183.803828*T-31.38*T*LOG(T)+3.64167E+29*T**(-9); 3200.0 N !
+FUNCTION GHSERNI 298.15 -5179.159+117.854*T-22.096*T*LOG(T)-0.0048407*T**(2);
+   1728.0 Y -27840.62+279.134977*T-43.1*T*LOG(T)+1.12754E+31*T**(-9); 3000.0
+   N !
+FUNCTION GLIQCU 298.15 12964.735-5.8489E-21*T**(7)-9.511904*T+GHSERCU;
+   1357.77 Y -46.545-31.38*T*LOG(T)+173.881484*T; 3200.0 N !
+FUNCTION GLIQNI 298.15 16414.686-3.82318E-21*T**(7)-9.397*T+GHSERNI; 1728.0 Y
+   -9549.817-43.1*T*LOG(T)+268.597977*T; 3000.0 N !
+FUNCTION VV0000 1 -83.6320706404982; 10000 N !
+FUNCTION VV0001 1 -73.7313841197274; 10000 N !
+FUNCTION VV0002 1 -206518.560463178; 10000 N !
+FUNCTION VV0003 1 -266996.179041866; 10000 N !
+
+TYPE_DEFINITION % SEQ * !
+DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
+DEFAULT_COMMAND DEFINE_SYSTEM_ELEMENT VA !
+
+TYPE_DEFINITION ^ GES AMEND_PHASE_DESCRIPTION FCC_A1 MAGNETIC -3.0 0.28 !
+PHASE FCC_A1 %^  2 1.0 1.0 !
+CONSTITUENT FCC_A1 :CU, NI:VA: !
+
+PHASE LIQUID:L %  1 1.0 !
+CONSTITUENT LIQUID:L :CU, NI: !
+
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                     CU                                     $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER G(FCC_A1,CU:VA;0) 298.15 GHSERCU; 3200.0 N !
+PARAMETER MQ(FCC_A1&CU,CU:VA;0) 1 T*VV0000+VV0002; 10000 N !
+PARAMETER G(LIQUID,CU;0) 298.15 GLIQCU; 3200.0 N !
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                     NI                                     $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER BMAGN(FCC_A1,NI:VA;0) 298.15 0.52; 3000.0 N !
+PARAMETER G(FCC_A1,NI:VA;0) 298.15 GHSERNI; 3000.0 N !
+PARAMETER TC(FCC_A1,NI:VA;0) 298.15 633.0; 3000.0 N !
+PARAMETER G(LIQUID,NI;0) 298.15 GLIQNI; 3000.0 N !
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                   CU-NI                                    $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER BMAGN(FCC_A1,CU,NI:VA;0) 298.15 -0.732; 3000.0 N !
+PARAMETER BMAGN(FCC_A1,CU,NI:VA;1) 298.15 -0.317; 3000.0 N !
+PARAMETER G(FCC_A1,CU,NI:VA;0) 298.15 8047.72+3.42217*T; 6000.0 N !
+PARAMETER G(FCC_A1,CU,NI:VA;1) 298.15 -2041.3+0.99714*T; 6000.0 N !
+PARAMETER MQ(FCC_A1&CU,NI:VA;0) 1 VV0003+T*VV0001; 10000 N !
+PARAMETER TC(FCC_A1,CU,NI:VA;0) 298.15 -935.5; 3000.0 N !
+PARAMETER TC(FCC_A1,CU,NI:VA;1) 298.15 -594.9; 3000.0 N !
+PARAMETER G(LIQUID,CU,NI;0) 298.15 12048.61+1.29093*T; 6000.0 N !
+PARAMETER G(LIQUID,CU,NI;1) 298.15 -1861.61+0.94201*T; 6000.0 N !

examples/mobility_fitting/databases/CuNi_mcmc.tdb

@@ -0,0 +1,93 @@
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$ Date: 2026-06-02 08:48
+$ Components: CU, NI, VA
+$ Phases: FCC_A1, LIQUID
+$ Generated by ury3 (pycalphad 0.11.2.dev33+g4a81c89c3)
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+ELEMENT CU FCC_A1 63.546 5004.1 33.15 !
+ELEMENT NI FCC_A1 58.69 4787.0 29.796 !
+ELEMENT VA VACUUM 0.0 0.0 0.0 !
+
+
+FUNCTION GBCCCU 298.15 4017.0-1.255*T+GHSERCU; 3200.0 N !
+FUNCTION GBCCNI 298.15 8715.084-3.556*T+GHSERNI; 3000.0 N !
+FUNCTION GHCPCU 298.15 600.0+0.2*T+GHSERCU; 3200.0 N !
+FUNCTION GHCPNI 298.15 1046.0+1.2552*T+GHSERNI; 3000.0 N !
+FUNCTION GHSERCU 298.15 -7770.458+130.485235*T-24.112392*T*LOG(T)
+  -0.00265684*T**(2)+1.29223E-07*T**(3)+52478.0*T**(-1); 1357.77 Y -13542.026
+  +183.803828*T-31.38*T*LOG(T)+3.64167E+29*T**(-9); 3200.0 N !
+FUNCTION GHSERNI 298.15 -5179.159+117.854*T-22.096*T*LOG(T)-0.0048407*T**(2);
+   1728.0 Y -27840.62+279.134977*T-43.1*T*LOG(T)+1.12754E+31*T**(-9); 3000.0
+   N !
+FUNCTION GHSERVA 1.0 0.0; 10000.0 N !
+FUNCTION GLIQCU 298.15 12964.735-9.511904*T-5.8489E-21*T**(7)+GHSERCU;
+   1357.77 Y -46.545+173.881484*T-31.38*T*LOG(T); 3200.0 N !
+FUNCTION GLIQNI 298.15 16414.686-9.397*T-3.82318E-21*T**(7)+GHSERNI; 1728.0 Y
+   -9549.817+268.597977*T-43.1*T*LOG(T); 3000.0 N !
+FUNCTION VV0000 1 -86.3575650786372; 10000 N !
+FUNCTION VV0001 1 -204074.61614708; 10000 N !
+FUNCTION VV0002 1 -91.6611880293118; 10000 N !
+FUNCTION VV0003 1 -202997.26331184; 10000 N !
+FUNCTION VV0004 1 -75.2480431996386; 10000 N !
+FUNCTION VV0005 1 -265395.222357188; 10000 N !
+FUNCTION VV0006 1 -59.60248683333; 10000 N !
+FUNCTION VV0007 1 -302412.096213174; 10000 N !
+FUNCTION VV0008 1 20.5879221981189; 10000 N !
+FUNCTION VV0009 1 -16067.8974985215; 10000 N !
+FUNCTION VV0010 1 18.3375873480011; 10000 N !
+FUNCTION VV0011 1 -11699.6155945424; 10000 N !
+
+TYPE_DEFINITION % SEQ * !
+DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
+DEFAULT_COMMAND DEFINE_SYSTEM_ELEMENT VA !
+
+TYPE_DEFINITION ^ GES AMEND_PHASE_DESCRIPTION FCC_A1 MAGNETIC -3.0 0.28 !
+PHASE FCC_A1 %^  2 1.0 1.0 !
+CONSTITUENT FCC_A1 :CU, NI:VA: !
+
+PHASE LIQUID:L %  1 1.0 !
+CONSTITUENT LIQUID:L :CU, NI: !
+
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                     CU                                     $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER G(FCC_A1,CU:VA;0) 298.15 GHSERCU; 3200.0 N !
+PARAMETER MQ(FCC_A1&CU,CU:VA;0) 1.0 T*VV0000+VV0001; 10000.0 N !
+PARAMETER G(LIQUID,CU;0) 298.15 GLIQCU; 3200.0 N !
+PARAMETER MQ(LIQUID&CU,CU;0) 1.0 -36468.03076-137.186121545147*T; 10000.0 N !
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                     NI                                     $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER BMAGN(FCC_A1,NI:VA;0) 298.15 0.52; 3000.0 N !
+PARAMETER G(FCC_A1,NI:VA;0) 298.15 GHSERNI; 3000.0 N !
+PARAMETER MQ(FCC_A1&NI,NI:VA;0) 1.0 T*VV0006+VV0007; 10000.0 N !
+PARAMETER TC(FCC_A1,NI:VA;0) 298.15 633.0; 3000.0 N !
+PARAMETER G(LIQUID,NI;0) 298.15 GLIQNI; 3000.0 N !
+PARAMETER MQ(LIQUID&NI,NI;0) 1.0 -46404.09216-137.097138674486*T; 10000.0 N !
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                   CU-NI                                    $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER BMAGN(FCC_A1,CU,NI:VA;0) 298.15 -0.732; 3000.0 N !
+PARAMETER BMAGN(FCC_A1,CU,NI:VA;1) 298.15 -0.317; 3000.0 N !
+PARAMETER G(FCC_A1,CU,NI:VA;0) 298.15 8047.72+3.42217*T; 6000.0 N !
+PARAMETER G(FCC_A1,CU,NI:VA;1) 298.15 -2041.3+0.99714*T; 6000.0 N !
+PARAMETER MQ(FCC_A1&NI,CU:VA;0) 1.0 T*VV0002+VV0003; 10000.0 N !
+PARAMETER MQ(FCC_A1&CU,NI:VA;0) 1.0 T*VV0004+VV0005; 10000.0 N !
+PARAMETER MQ(FCC_A1&CU,CU,NI:VA;0) 1.0 T*VV0008+VV0009; 10000.0 N !
+PARAMETER MQ(FCC_A1&NI,CU,NI:VA;0) 1.0 T*VV0010+VV0011; 10000.0 N !
+PARAMETER TC(FCC_A1,CU,NI:VA;0) 298.15 -935.5; 3000.0 N !
+PARAMETER TC(FCC_A1,CU,NI:VA;1) 298.15 -594.9; 3000.0 N !
+PARAMETER G(LIQUID,CU,NI;0) 298.15 12048.61+1.29093*T; 6000.0 N !
+PARAMETER G(LIQUID,CU,NI;1) 298.15 -1861.61+0.94201*T; 6000.0 N !
+PARAMETER MQ(LIQUID&NI,CU;0) 1.0 -36468.03076-136.988159811907*T; 10000.0 N !
+PARAMETER MQ(LIQUID&CU,NI;0) 1.0 -46404.09216-137.295100407725*T; 10000.0 N !

examples/mobility_fitting/databases/CuNi_mob_gen.tdb

@@ -0,0 +1,93 @@
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$ Date: 2026-06-02 08:36
+$ Components: CU, NI, VA
+$ Phases: FCC_A1, LIQUID
+$ Generated by ury3 (pycalphad 0.11.2.dev33+g4a81c89c3)
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+ELEMENT CU FCC_A1 63.546 5004.1 33.15 !
+ELEMENT NI FCC_A1 58.69 4787.0 29.796 !
+ELEMENT VA VACUUM 0.0 0.0 0.0 !
+
+
+FUNCTION GBCCCU 298.15 4017.0-1.255*T+GHSERCU; 3200.0 N !
+FUNCTION GBCCNI 298.15 8715.084-3.556*T+GHSERNI; 3000.0 N !
+FUNCTION GHCPCU 298.15 600.0+0.2*T+GHSERCU; 3200.0 N !
+FUNCTION GHCPNI 298.15 1046.0+1.2552*T+GHSERNI; 3000.0 N !
+FUNCTION GHSERCU 298.15 -7770.458+130.485235*T-24.112392*T*LOG(T)
+  +1.29223E-07*T**(3)-0.00265684*T**(2)+52478.0*T**(-1); 1357.77 Y -13542.026
+  +183.803828*T-31.38*T*LOG(T)+3.64167E+29*T**(-9); 3200.0 N !
+FUNCTION GHSERNI 298.15 -5179.159+117.854*T-22.096*T*LOG(T)-0.0048407*T**(2);
+   1728.0 Y -27840.62+279.134977*T-43.1*T*LOG(T)+1.12754E+31*T**(-9); 3000.0
+   N !
+FUNCTION GHSERVA 1 0; 10000 N !
+FUNCTION GLIQCU 298.15 12964.735-5.8489E-21*T**(7)-9.511904*T+GHSERCU;
+   1357.77 Y -46.545-31.38*T*LOG(T)+173.881484*T; 3200.0 N !
+FUNCTION GLIQNI 298.15 16414.686-3.82318E-21*T**(7)-9.397*T+GHSERNI; 1728.0 Y
+   -9549.817-43.1*T*LOG(T)+268.597977*T; 3000.0 N !
+FUNCTION VV0000 1 -82.5275; 10000 N !
+FUNCTION VV0001 1 -205872.0; 10000 N !
+FUNCTION VV0002 1 -71.0695; 10000 N !
+FUNCTION VV0003 1 -232826.0; 10000 N !
+FUNCTION VV0004 1 -79.2647; 10000 N !
+FUNCTION VV0005 1 -255224.0; 10000 N !
+FUNCTION VV0006 1 -71.7851; 10000 N !
+FUNCTION VV0007 1 -285142.0; 10000 N !
+FUNCTION VV0008 1 13.9161; 10000 N !
+FUNCTION VV0009 1 -42473.8; 10000 N !
+FUNCTION VV0010 1 -31.3775; 10000 N !
+FUNCTION VV0011 1 43996.2; 10000 N !
+
+TYPE_DEFINITION % SEQ * !
+DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
+DEFAULT_COMMAND DEFINE_SYSTEM_ELEMENT VA !
+
+TYPE_DEFINITION ^ GES AMEND_PHASE_DESCRIPTION FCC_A1 MAGNETIC -3.0 0.28 !
+PHASE FCC_A1 %^  2 1.0 1.0 !
+CONSTITUENT FCC_A1 :CU, NI:VA: !
+
+PHASE LIQUID:L %  1 1.0 !
+CONSTITUENT LIQUID:L :CU, NI: !
+
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                     CU                                     $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER G(FCC_A1,CU:VA;0) 298.15 GHSERCU; 3200.0 N !
+PARAMETER MQ(FCC_A1&CU,CU:VA;0) 1 T*VV0000+VV0001; 10000 N !
+PARAMETER G(LIQUID,CU;0) 298.15 GLIQCU; 3200.0 N !
+PARAMETER MQ(LIQUID&CU,CU;0) 1 -36468.03076-137.186121545147*T; 10000 N !
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                     NI                                     $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER BMAGN(FCC_A1,NI:VA;0) 298.15 0.52; 3000.0 N !
+PARAMETER G(FCC_A1,NI:VA;0) 298.15 GHSERNI; 3000.0 N !
+PARAMETER MQ(FCC_A1&NI,NI:VA;0) 1 T*VV0006+VV0007; 10000 N !
+PARAMETER TC(FCC_A1,NI:VA;0) 298.15 633.0; 3000.0 N !
+PARAMETER G(LIQUID,NI;0) 298.15 GLIQNI; 3000.0 N !
+PARAMETER MQ(LIQUID&NI,NI;0) 1 -46404.09216-137.097138674486*T; 10000 N !
+
+
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+$                                   CU-NI                                    $
+$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
+
+PARAMETER BMAGN(FCC_A1,CU,NI:VA;0) 298.15 -0.732; 3000.0 N !
+PARAMETER BMAGN(FCC_A1,CU,NI:VA;1) 298.15 -0.317; 3000.0 N !
+PARAMETER G(FCC_A1,CU,NI:VA;0) 298.15 8047.72+3.42217*T; 6000.0 N !
+PARAMETER G(FCC_A1,CU,NI:VA;1) 298.15 -2041.3+0.99714*T; 6000.0 N !
+PARAMETER MQ(FCC_A1&NI,CU:VA;0) 1 T*VV0002+VV0003; 10000 N !
+PARAMETER MQ(FCC_A1&CU,NI:VA;0) 1 T*VV0004+VV0005; 10000 N !
+PARAMETER MQ(FCC_A1&CU,CU,NI:VA;0) 1 T*VV0008+VV0009; 10000 N !
+PARAMETER MQ(FCC_A1&NI,CU,NI:VA;0) 1 T*VV0010+VV0011; 10000 N !
+PARAMETER TC(FCC_A1,CU,NI:VA;0) 298.15 -935.5; 3000.0 N !
+PARAMETER TC(FCC_A1,CU,NI:VA;1) 298.15 -594.9; 3000.0 N !
+PARAMETER G(LIQUID,CU,NI;0) 298.15 12048.61+1.29093*T; 6000.0 N !
+PARAMETER G(LIQUID,CU,NI;1) 298.15 -1861.61+0.94201*T; 6000.0 N !
+PARAMETER MQ(LIQUID&NI,CU;0) 1 -36468.03076-136.988159811907*T; 10000 N !
+PARAMETER MQ(LIQUID&CU,NI;0) 1 -46404.09216-137.295100407725*T; 10000 N !