Trajectory
Mean Squared Displacement
Every viewer below carries an MSD / diffusion pane (the orbit icon in the controls bar). It
averages |r(t₀+Δt) − r(t₀)|² over all atoms and all time origins, unwraps trajectories across
periodic boundaries first (honouring LAMMPS xu/yu/zu coordinates, which are
already unwrapped), decomposes by element, and fits D = slope / 2d over an adjustable
lag window. The lag axis is labelled in frames unless you supply a timestep, since no trajectory
format we read records one. Indexed (streamed) trajectories are swept in full rather than analysed
over the handful of frames kept in memory.
Load Trajectory
Drop a trajectory file here (.xyz, .extxyz, .json, .json.gz, XDATCAR, .traj, .h5) or provide trajectory data via props
Supported formats:- Multi-frame XYZ trajectory files (.xyz, .extxyz)
- ASE trajectory files (.traj)
- Pymatgen trajectory JSON
- Array of structures with metadata
- VASP XDATCAR files
- HDF5 trajectory files (.h5, .hdf5)
- Compressed files (.gz)
💡 Force vectors will be automatically displayed when present in trajectory data
Load Trajectory
Drop a trajectory file here (.xyz, .extxyz, .json, .json.gz, XDATCAR, .traj, .h5) or provide trajectory data via props
Supported formats:- Multi-frame XYZ trajectory files (.xyz, .extxyz)
- ASE trajectory files (.traj)
- Pymatgen trajectory JSON
- Array of structures with metadata
- VASP XDATCAR files
- HDF5 trajectory files (.h5, .hdf5)
- Compressed files (.gz)
💡 Force vectors will be automatically displayed when present in trajectory data
Bindable visible_properties Demo
This trajectory has multiple properties (energy, force_max, volume, etc.). The plot shows
those defined in the visible_properties on page load. But the prop is two-way
bindable and allows for external monitoring and modification. Toggle other properties in the
plot legend to see the binding below update to show which properties are currently displayed.
Load Trajectory
Drop a trajectory file here (.xyz, .extxyz, .json, .json.gz, XDATCAR, .traj, .h5) or provide trajectory data via props
Supported formats:- Multi-frame XYZ trajectory files (.xyz, .extxyz)
- ASE trajectory files (.traj)
- Pymatgen trajectory JSON
- Array of structures with metadata
- VASP XDATCAR files
- HDF5 trajectory files (.h5, .hdf5)
- Compressed files (.gz)
💡 Force vectors will be automatically displayed when present in trajectory data
Load Trajectory
Drop a trajectory file here (.xyz, .extxyz, .json, .json.gz, XDATCAR, .traj, .h5) or provide trajectory data via props
Supported formats:- Multi-frame XYZ trajectory files (.xyz, .extxyz)
- ASE trajectory files (.traj)
- Pymatgen trajectory JSON
- Array of structures with metadata
- VASP XDATCAR files
- HDF5 trajectory files (.h5, .hdf5)
- Compressed files (.gz)
💡 Force vectors will be automatically displayed when present in trajectory data
Load Trajectory
Drop a trajectory file here (.xyz, .extxyz, .json, .json.gz, XDATCAR, .traj, .h5) or provide trajectory data via props
Supported formats:- Multi-frame XYZ trajectory files (.xyz, .extxyz)
- ASE trajectory files (.traj)
- Pymatgen trajectory JSON
- Array of structures with metadata
- VASP XDATCAR files
- HDF5 trajectory files (.h5, .hdf5)
- Compressed files (.gz)
💡 Force vectors will be automatically displayed when present in trajectory data
Drag any of these trajectory files onto a viewer above to load them: