diff --git a/dpdata/xyz/quip_gap_xyz.py b/dpdata/xyz/quip_gap_xyz.py
index 8b3f164b..355d8c3a 100644
--- a/dpdata/xyz/quip_gap_xyz.py
+++ b/dpdata/xyz/quip_gap_xyz.py
@@ -5,6 +5,19 @@
 
 import numpy as np
 
+from ..unit import EnergyConversion, ForceConversion
+
+e_conv_kcalpermol2eV = EnergyConversion("kcal_mol", "eV").value()
+e_conv_au2eV = EnergyConversion("hartree", "eV").value()
+f_conv_kcalpermolperang2eVperang = ForceConversion(
+    "kcal_mol/angstrom", "eV/angstrom"
+).value()
+f_conv_auperang2eVperang = ForceConversion("hartree/angstrom", "eV/angstrom").value()
+f_conv_kcalpermolperbohr2eVperang = ForceConversion(
+    "kcal_mol/bohr", "eV/angstrom"
+).value()
+f_conv_au2eVperang = ForceConversion("hartree/bohr", "eV/angstrom").value()
+
 
 class QuipGapxyzSystems:
     """deal with QuipGapxyzFile."""
@@ -164,11 +177,13 @@ def handle_single_xyz_frame(lines):
             ).astype("float32")
         else:
             virials = None
-
+        """
         info_dict = {}
         info_dict["atom_names"] = list(type_num_array[:, 0])
         info_dict["atom_numbs"] = list(type_num_array[:, 1].astype(int))
+        #info_dict["nopbc"] = False
         info_dict["atom_types"] = np.array(atom_type_list).astype(int)
+
         info_dict["cells"] = np.array(
             [
                 np.array(list(filter(bool, field_dict["Lattice"].split(" ")))).reshape(
@@ -176,10 +191,106 @@ def handle_single_xyz_frame(lines):
                 )
             ]
         ).astype("float32")
+
+        if "Lattice" in field_dict:
+            info_dict["cells"] = np.array(
+                [
+                    np.array(list(filter(bool, field_dict["Lattice"].split(" ")))).reshape(
+                        3, 3
+                    )
+                ]
+            ).astype("float32")
+        else:
+            #info_dict["nopbc"] = True
+            info_dict["cell"] = [[100.0, 0.0, 0.0], [0.0, 100.0, 0.0], [0.0, 0.0, 100.0]]
+            #info_dict["cells"] = None
+
+        info_dict["coords"] = np.array([coords_array]).astype("float32")
+        info_dict["energies"] = np.array([field_dict["energy"]]).astype("float32")
+        info_dict["forces"] = np.array([force_array]).astype("float32")
+        if virials is not None:
+            info_dict["virials"] = virials
+        info_dict["orig"] = np.zeros(3)
+        return info_dict
+        """
+        e_units = np.array([field_dict["energy-unit"]])
+        f_units = np.array([field_dict["force-unit"]])
+        # print(e_units, f_units)
+
+        info_dict = {}
+        info_dict["nopbc"] = False
+        info_dict["atom_names"] = list(type_num_array[:, 0])
+        info_dict["atom_numbs"] = list(type_num_array[:, 1].astype(int))
+        info_dict["atom_types"] = np.array(atom_type_list).astype(int)
+
         info_dict["coords"] = np.array([coords_array]).astype("float32")
+        """
         info_dict["energies"] = np.array([field_dict["energy"]]).astype("float32")
         info_dict["forces"] = np.array([force_array]).astype("float32")
+        """
+        if e_units == "kcal/mol":
+            info_dict["energies"] = (
+                np.array([field_dict["energy"]]).astype("float32")
+                * e_conv_kcalpermol2eV
+            )
+        elif e_units == "hartree" or e_units == "au" or e_units == "a.u.":
+            info_dict["energies"] = (
+                np.array([field_dict["energy"]]).astype("float32") * e_conv_au2eV
+            )
+        elif e_units == "ev":
+            info_dict["energies"] = np.array([field_dict["energy"]]).astype("float32")
+        else:
+            info_dict["energies"] = np.array([field_dict["energy"]]).astype("float32")
+            print(
+                f"Warning: The units is {e_units} , but is read as default (eV). Please check carefully!"
+            )
+
+        if f_units == "kcal/mol/angstrom":
+            info_dict["forces"] = (
+                np.array([force_array]).astype("float32")
+                * f_conv_kcalpermolperang2eVperang
+            )
+        elif (
+            f_units == "hartree/angstrom"
+            or f_units == "hartree/ang"
+            or f_units == "hartree/ang."
+        ):
+            info_dict["forces"] = (
+                np.array([force_array]).astype("float32") * f_conv_auperang2eVperang
+            )
+        elif f_units == "kcal/mol/bohr":
+            info_dict["forces"] = (
+                np.array([force_array]).astype("float32")
+                * f_conv_kcalpermolperbohr2eVperang
+            )
+        elif f_units == "kcal/mol/bohr":
+            info_dict["forces"] = (
+                np.array([force_array]).astype("float32") * f_conv_au2eVperang
+            )
+        elif f_units == "ev/angstrom" or f_units == "ev/ang" or f_units == "ev/ang.":
+            info_dict["forces"] = np.array([force_array]).astype("float32")
+        else:
+            info_dict["forces"] = np.array([force_array]).astype("float32")
+            print(
+                f"Warning: The units is {f_units}, but is read as default (eV/angstrom). Please check carefully!"
+            )
+
         if virials is not None:
             info_dict["virials"] = virials
         info_dict["orig"] = np.zeros(3)
+        if "Lattice" in field_dict and field_dict["Lattice"].strip():
+            lattice_values = list(filter(bool, field_dict["Lattice"].split(" ")))
+            info_dict["cells"] = np.array(
+                [np.array(lattice_values).reshape(3, 3)]
+            ).astype("float32")
+        else:
+            lattice_values = np.array(
+                [[100.0, 0.0, 0.0], [0.0, 100.0, 0.0], [0.0, 0.0, 100.0]]
+            )
+
+            info_dict["nopbc"] = True
+            info_dict["cells"] = np.array(
+                [np.array(lattice_values).reshape(3, 3)]
+            ).astype("float32")
+
         return info_dict