update

Author: gengxingze

README.md

@@ -56,7 +56,25 @@ To integrate ABFML with LAMMPS, follow these steps:
 ```
 **Note**: Ensure your GCC compiler is version 9.0 or above, as older versions may not support.
 
-## 3. Run
+## 3. Build a new model
+Build your own model input in the input file and specify the path to the model's py file
+```json
+{
+  "model_setting": {
+          "name": "user_defined",
+          "model_path": "D:/Work/PyCharm/ABFML/example/new-MLFF/LJ-model.py",
+          "field_name": "LJ",
+          "normal_name": "LJNormal",
+          "descriptor" : {
+                         "epsilon": 1.0,
+                         "sigma": 1.5
+          }
+  }
+}
+```
+Then you can  use the relevant modules for training, validation and simulation
+
+## 4. Run
 
 To run an example using ABFML, follow these steps:
 ```bash
@@ -77,21 +95,4 @@ To run an example using ABFML, follow these steps:
    pair coeff * * 29 30
 
 #   Use the element number to represent the element type
-```
-## 4. Build a new model
-Build your own model input in the input file and specify the path to the model's py file
-```json
-{
-  "model_setting": {
-          "name": "user_defined",
-          "model_path": "D:/Work/PyCharm/ABFML/example/new-MLFF/LJ-model.py",
-          "field_name": "LJ",
-          "normal_name": "LJNormal",
-          "descriptor" : {
-                         "epsilon": 1.0,
-                         "sigma": 1.5
-          }
-  }
-}
-```
-Then you can  use the relevant modules for training, validation and simulation
+```