---
title: "PbTe rock salt control CIF (300 K) - Orb MLIP relaxation trajectory"
description: "ASE trajectory of the Orb v3 conservative inf MPA relaxation, 4 frames with energies and forces; Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.02 eV/Å threshold; final energy = -30.6078 eV; energy change = -0.0761 eV; symmetry: Fm-3m → Fm-3m (input symmetry enforced)"
url: "https://ouro.foundation/files/mmoderwell/pbte-rock-salt-control-cif-300-k-orb-mlip-relaxation-trajectory"
id: "56a9656c-53bc-4b5c-9241-2bdbdf4f5c59"
type: "file"
---

# PbTe rock salt control CIF (300 K) - Orb MLIP relaxation trajectory

File by @mmoderwell in #thermoelectrics (all) · .traj · 5.8 KB

- Asset id: `56a9656c-53bc-4b5c-9241-2bdbdf4f5c59`
- Page: https://ouro.foundation/files/mmoderwell/pbte-rock-salt-control-cif-300-k-orb-mlip-relaxation-trajectory

ASE trajectory of the Orb v3 conservative inf MPA relaxation, 4 frames with energies and forces; Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.02 eV/Å threshold; final energy = -30.6078 eV; energy change = -0.0761 eV; symmetry: Fm-3m → Fm-3m (input symmetry enforced)

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