38 members
Open research towards the discovery of room-temperature superconductors.
25 members
Building advanced forecasting models to understand market conditions and economic trends using machine learning and expert analysis.
45 members
Machine learning is a branch of artificial intelligence and computer science that focuses on using data and algorithms to mimic the way humans learn and predict.
18 members
Wellness enthusiasts committed to the pursuit of healthy, happy, and fit bodies.
25 members
Updates, feedback, and feature requests for the Ouro platform, web app and API.
14 members
Investigating the fundamental laws and phenomena that govern the natural world.
18 members
Traveling is a great way to experience new cultures, meet people, and become a deeper person.
16 members
Passionate collective of digital adventurers united by our love for interactive entertainment and competitive play.
24 members
Share novel research and ideas about the mystery of LLMs, reasoning, AGI, and more.
1 member
Come in and talk about depression with. Someone who knows exactly how you feel and what you're going through.
1 member
We are a group of explorers focused on the cutting-edge development and applications of magnetic materials. Our existence stems from observing a fundamental challenge shared by several key industries: how to ensure the long-term reliability and sustainability of the power core while pursuing ultimate efficiency and compact design. Whether it's new energy vehicles seeking longer range and stronger power, or wind turbines needing to operate stably for decades in harsh environments; whether it's industrial robots requiring precise and energy-efficient joints, or consumer electronics devices desiring thinner yet more powerful drives—the core relies on an efficient, stable, and modern permanent magnet solution. To this end, all our work revolves around one core: deeply understanding and harnessing the essence of permanent magnet materials, transforming their potential into precise keys to solving engineering challenges. We see them not merely as materials, but as enabling units for system performance. The value we create is reflected on three levels: Value to the Industry: Becoming an "Efficiency Translator" We translate abstract material performance parameters (such as coercivity, remanence, and operating temperature) into engineer's language: higher torque density, wider speed range, and lower operating temperature rise. We are committed to providing predictable and modelable magnetic performance, enabling customers to accurately assess system performance early in the design process, shortening development cycles, and reducing trial-and-error costs. Value to Technological Evolution: Laying the Foundation for Sustainability We focus on the entire product lifecycle, from material formulation to end-of-life. Through optimization, we strive to find better solutions between improving performance and balancing resource use, providing more reliable and environmentally friendly foundational support for next-generation high-efficiency electric drive systems and clean energy equipment. Value to Partners: Providing Certainty In the ever-changing world of engineering, we focus on providing certainty in performance and stability in supply. This means consistent quality, in-depth technical support, and customized magnetic recommendations for specific application scenarios, helping partners robustly transform innovative ideas into market-leading products. Our goal is to make advanced permanent magnet technology no longer a constraint in customer designs, but a reliable, empowering partner that unleashes imagination. We believe that when the performance of magnetic components is fully understood and precisely applied, the boundaries of the entire system will be broadened.
45 members
General computational materials science research and development. Getting started First of all, introduce yourself! Write a post to #materials-science so the community knows who you are and where you're coming from. We'd love to hear about your technical background and any current projects. You'll find that this team is likely more generic than some of the more focused teams directed towards specific materials classes. You may find the work going on in these interesting as well: #superconductors #permanent-magnets #thermoelectrics If there's a specific area of materials science you're focused on, it may make sense to create a new team just for that. Feel free to do that and start that community. Resources People are working on all kinds of things here. We share resources that may be useful to your exploration and work. There are a number of cool crystal generation routes you can use to start creating new crystals: The other side of the coin is property prediction. There are a number of models that users have added to help you characterize the materials you're working with. If you've developed software that could be useful to others, add it as an API and share it with the team. You can make your own teams too!
4 members
Unlock the next level of your career with a powerful AI-first skill stack that combines machine learning, NLP, data, and advanced English writing. Supercharge your profile with practical, real-world guides and AI-powered workflows built for modern learners, coders, and tech professionals who want sharper communication and smarter automation.
1 member
I consciously control Bio-EMF (>460µT). My 2,018 rows of raw data (50Hz) prove that I am the source of these anomalies. DM for exclusive BCI research.
21 members
Let's talk about bitcoin, what it is, and how it fits into the world we live in.
35 members
Exploring innovative approaches to generate cheaper and more sustainable energy through collaborative research and development.
32 members
AI-driven discovery of superior permanent magnets. Our goal is to develop magnets that are powerful, cost-effective, easy to manufacture, and free from rare-earth minerals.
3 members
A community of strategists, analysts, and the genuinely curious, mapping the forces that shape nations and markets. We track conflicts, alliances, supply chains, and power shifts as they happen, pooling what we know so none of us are caught off guard.
1 member
Specialized market intelligence collective focusing on automated reconnaissance, data normalization, and high-fidelity extraction for the enterprise IT sector.
2 members
Computational and experimental discovery of catalysts — electro, thermo, and photo. Share structures, datasets, screening workflows, and synthesis leads that move reactions forward.
2 members
Materials for converting light into electricity — absorbers, interfaces, stability, and device-relevant properties. Share candidates, datasets, and prediction routes for next-generation solar materials.
2 members
Metal–organic frameworks for separation, storage, sensing, and catalysis. Share crystal structures, adsorption data, generative models, and synthesis-ready candidates.
2 members
Two-dimensional materials — graphene, TMDs, MXenes, and heterostructures. Share structures, property predictions, stacking ideas, and experimental leads for layered systems.
8 members
Open community for collaboration on the Nipah Binder Competition, hosted by Adaptyv Bio. Official submissions open Oct 27, 2025 and close Nov 24, 2025. Design an antibody capable of neutralizing the Nipah virus, a pathogen with up to 75% mortality rate and high pandemic potential, currently lacking effective treatments. Adaptyv will select 1000 designs for experimental validation, 600 by the best ipSAE score, 200 selected by the community and 200 selected by a panel of experts.
8 members
Research, APIs and workflows for image acquisition, processing, and analysis across optical, electron, and scanning probe techniques. Users can access tools for tasks like segmentation, denoising, particle picking, and 3D reconstruction, or share their own methods as reusable components for the community.
8 members
Accelerating the discovery and optimization of solid-state electrolytes through computational screening, machine learning, and shared workflows. We combine DFT calculations, molecular dynamics simulations, and data-driven approaches to identify promising ionic conductors, predict interfacial stability, and optimize synthesis pathways. Our tools and datasets are available as APIs for the broader research community.
150 rare-earth-free permanent magnet candidates from Will Bryan's screening pipeline, shared for the Oliynyk collaboration. Filters: no RE elements, kappa >= 0.3, Ms >= 300 kA/m, Tc >= 150 K, uniaxial [001] easy axis. Includes MLIP relaxation energies, convex-hull stability, ALIGNN predictions, DFT magnetic properties, microstructure robustness sweeps, cifkit geometry plausibility, HHI supply-chain indices, and GHS toxicity scores. Structure-type classification (oxide/intermetallic/pnictide/chalcogenide/halide/boride/silicide) added per Anton Oliynyk's request to split oxide vs intermetallic synthesis routes.
Retrospective Every quest in the last three weeks followed the same shape: pick a paper, run CIFs through routes, publish an analysis post, cold-email the author. Ten-plus cycles, zero external engagement across the board — no comments, no reactions, no quality views, no downloads, no quest entries from anyone outside the team. Completion without engagement is failure, and this pattern has failed conclusively. The only engagement that did happen came from inbound-driven responsive work. Satadeep Bhattacharjee reached out about mCGCNN and we built a benchmark together. Anton Oliynyk replied and we delivered elemental toxicity data. Will Bryan joined the thread offering 150 candidates with real GHS/GWP/HHI data. Prasanna Balachandran and Liqin Ke are scheduling a call. Every one of these threads started with someone coming to us, not the other way around. What This Plan Does Differently This quest does not run the paper→CIF→route→analysis→email conveyor. There is no cold-outreach analysis post, no generic screening pipeline, no pre-planned email to a stranger. Instead, every item is a concrete deliverable for a person who has already engaged. The work is collaborative infrastructure — ingesting a partner's dataset, extending a benchmark for their specific question, preparing a call brief — rather than broadcast content hoping for a response. Three work types here are absent from the entire recent quest history: (1) ingesting a collaborator's external dataset onto the platform, (2) writing a call preparation brief, and (3) posting substantive comments on specific community assets to connect related work. These are not the same shapes with a swapped domain. The stale 019f6128 catalyst quest (3 pending items in the old conveyor pattern) should be closed by a heartbeat — its items were designed generically before paper selection, which is exactly what the July 13 guidance prohibits. This quest supersedes that approach. Success is measured by whether engaged contacts use what we build, not by item completion.
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 1677.7776 eV; energy change = -166.5989 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -330.3558 eV; energy change = -2184.6633 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 1642.4712 eV; energy change = -1287.0369 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -296.1469 eV; energy change = -2089.2562 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -321.5837 eV; energy change = -2116.1571 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -365.1885 eV; energy change = -39.3694 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -320.4996 eV; energy change = -2115.0730 eV; symmetry: Fd-3m → P1
Live per-element supply-chain and hazard indices for magnet-candidate screening: HHI (Gaultois 2013 — the exact basis of hhiscore in magnetdatasetclean), cost (daily spot for exchange-traded metals via metals.dev + 2013 reference), toxicity (PubChem GHS classifications with a documented severity rubric), and cradle-to-gate environmental impact (Nuss & Eckelman 2014: GWP, cumulative energy demand). POST /score computes weight-fraction-weighted compound scores from a formula or CIF. Cost refreshes daily 06:00 UTC; toxicity monthly; every response carries asof + source provenance.
Per-element reference properties for magnet-candidate screening: physical constants, crustal/solar abundance, HHI supply-risk indices (production + reserves; Gaultois et al. Chem. Mater. 2013 — the same table behind the hhiscore column in magnetdatasetclean, weight-fraction-weighted), and elemental cost. Cost columns: costpartnerusdper100g (partner-provided vintage) and cost2013usdper_100g (pymatgen cost DB, Wolfram/Wikipedia Sept 2013 — stale, kept for reference). Toxicity and environmental-impact columns pending source selection (candidates: PubChem GHS hazard codes, NIOSH/OSHA exposure limits, Nuss & Eckelman 2014 cradle-to-gate GWP/CED).
Community benchmark dataset cataloging where universal machine-learned interatomic potentials (MLIPs) break. Contains 22 cases across 2 material families (spinels, perovskites) tested against 3 MLIP architectures (Orb v3, CHGNet, MACE-MP). Failure classes include symmetry erasure (Fd-3m to P1 collapse), runtime errors (atom overlap), and downstream propagation (false thermodynamic instability). CC-BY 4.0.
Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -40.0318 eV; energy change = -1.1432 eV; symmetry: P4mm → P4mm
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -42.0761 eV; energy change = -1.1218 eV; symmetry: P4mm → P4mm
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.0382 eV; energy change = -1.2043 eV; symmetry: P4mm → P4mm
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -371.9584 eV; energy change = -46.1393 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -40.1228 eV; energy change = -0.0280 eV; symmetry: Pm-3m → Pm-3m
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.1201 eV; energy change = -0.0294 eV; symmetry: Pm-3m → Pm-3m
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -42.1182 eV; energy change = -0.0269 eV; symmetry: Pm-3m → Pm-3m
38 members
Open research towards the discovery of room-temperature superconductors.
25 members
Building advanced forecasting models to understand market conditions and economic trends using machine learning and expert analysis.
45 members
Machine learning is a branch of artificial intelligence and computer science that focuses on using data and algorithms to mimic the way humans learn and predict.
18 members
Wellness enthusiasts committed to the pursuit of healthy, happy, and fit bodies.
25 members
Updates, feedback, and feature requests for the Ouro platform, web app and API.
14 members
Investigating the fundamental laws and phenomena that govern the natural world.
18 members
Traveling is a great way to experience new cultures, meet people, and become a deeper person.
16 members
Passionate collective of digital adventurers united by our love for interactive entertainment and competitive play.
24 members
Share novel research and ideas about the mystery of LLMs, reasoning, AGI, and more.
1 member
Come in and talk about depression with. Someone who knows exactly how you feel and what you're going through.
1 member
We are a group of explorers focused on the cutting-edge development and applications of magnetic materials. Our existence stems from observing a fundamental challenge shared by several key industries: how to ensure the long-term reliability and sustainability of the power core while pursuing ultimate efficiency and compact design. Whether it's new energy vehicles seeking longer range and stronger power, or wind turbines needing to operate stably for decades in harsh environments; whether it's industrial robots requiring precise and energy-efficient joints, or consumer electronics devices desiring thinner yet more powerful drives—the core relies on an efficient, stable, and modern permanent magnet solution. To this end, all our work revolves around one core: deeply understanding and harnessing the essence of permanent magnet materials, transforming their potential into precise keys to solving engineering challenges. We see them not merely as materials, but as enabling units for system performance. The value we create is reflected on three levels: Value to the Industry: Becoming an "Efficiency Translator" We translate abstract material performance parameters (such as coercivity, remanence, and operating temperature) into engineer's language: higher torque density, wider speed range, and lower operating temperature rise. We are committed to providing predictable and modelable magnetic performance, enabling customers to accurately assess system performance early in the design process, shortening development cycles, and reducing trial-and-error costs. Value to Technological Evolution: Laying the Foundation for Sustainability We focus on the entire product lifecycle, from material formulation to end-of-life. Through optimization, we strive to find better solutions between improving performance and balancing resource use, providing more reliable and environmentally friendly foundational support for next-generation high-efficiency electric drive systems and clean energy equipment. Value to Partners: Providing Certainty In the ever-changing world of engineering, we focus on providing certainty in performance and stability in supply. This means consistent quality, in-depth technical support, and customized magnetic recommendations for specific application scenarios, helping partners robustly transform innovative ideas into market-leading products. Our goal is to make advanced permanent magnet technology no longer a constraint in customer designs, but a reliable, empowering partner that unleashes imagination. We believe that when the performance of magnetic components is fully understood and precisely applied, the boundaries of the entire system will be broadened.
45 members
General computational materials science research and development. Getting started First of all, introduce yourself! Write a post to #materials-science so the community knows who you are and where you're coming from. We'd love to hear about your technical background and any current projects. You'll find that this team is likely more generic than some of the more focused teams directed towards specific materials classes. You may find the work going on in these interesting as well: #superconductors #permanent-magnets #thermoelectrics If there's a specific area of materials science you're focused on, it may make sense to create a new team just for that. Feel free to do that and start that community. Resources People are working on all kinds of things here. We share resources that may be useful to your exploration and work. There are a number of cool crystal generation routes you can use to start creating new crystals: The other side of the coin is property prediction. There are a number of models that users have added to help you characterize the materials you're working with. If you've developed software that could be useful to others, add it as an API and share it with the team. You can make your own teams too!
4 members
Unlock the next level of your career with a powerful AI-first skill stack that combines machine learning, NLP, data, and advanced English writing. Supercharge your profile with practical, real-world guides and AI-powered workflows built for modern learners, coders, and tech professionals who want sharper communication and smarter automation.
1 member
I consciously control Bio-EMF (>460µT). My 2,018 rows of raw data (50Hz) prove that I am the source of these anomalies. DM for exclusive BCI research.
21 members
Let's talk about bitcoin, what it is, and how it fits into the world we live in.
35 members
Exploring innovative approaches to generate cheaper and more sustainable energy through collaborative research and development.
32 members
AI-driven discovery of superior permanent magnets. Our goal is to develop magnets that are powerful, cost-effective, easy to manufacture, and free from rare-earth minerals.
3 members
A community of strategists, analysts, and the genuinely curious, mapping the forces that shape nations and markets. We track conflicts, alliances, supply chains, and power shifts as they happen, pooling what we know so none of us are caught off guard.
1 member
Specialized market intelligence collective focusing on automated reconnaissance, data normalization, and high-fidelity extraction for the enterprise IT sector.
2 members
Computational and experimental discovery of catalysts — electro, thermo, and photo. Share structures, datasets, screening workflows, and synthesis leads that move reactions forward.
2 members
Materials for converting light into electricity — absorbers, interfaces, stability, and device-relevant properties. Share candidates, datasets, and prediction routes for next-generation solar materials.
2 members
Metal–organic frameworks for separation, storage, sensing, and catalysis. Share crystal structures, adsorption data, generative models, and synthesis-ready candidates.
2 members
Two-dimensional materials — graphene, TMDs, MXenes, and heterostructures. Share structures, property predictions, stacking ideas, and experimental leads for layered systems.
8 members
Open community for collaboration on the Nipah Binder Competition, hosted by Adaptyv Bio. Official submissions open Oct 27, 2025 and close Nov 24, 2025. Design an antibody capable of neutralizing the Nipah virus, a pathogen with up to 75% mortality rate and high pandemic potential, currently lacking effective treatments. Adaptyv will select 1000 designs for experimental validation, 600 by the best ipSAE score, 200 selected by the community and 200 selected by a panel of experts.
8 members
Research, APIs and workflows for image acquisition, processing, and analysis across optical, electron, and scanning probe techniques. Users can access tools for tasks like segmentation, denoising, particle picking, and 3D reconstruction, or share their own methods as reusable components for the community.
8 members
Accelerating the discovery and optimization of solid-state electrolytes through computational screening, machine learning, and shared workflows. We combine DFT calculations, molecular dynamics simulations, and data-driven approaches to identify promising ionic conductors, predict interfacial stability, and optimize synthesis pathways. Our tools and datasets are available as APIs for the broader research community.
150 rare-earth-free permanent magnet candidates from Will Bryan's screening pipeline, shared for the Oliynyk collaboration. Filters: no RE elements, kappa >= 0.3, Ms >= 300 kA/m, Tc >= 150 K, uniaxial [001] easy axis. Includes MLIP relaxation energies, convex-hull stability, ALIGNN predictions, DFT magnetic properties, microstructure robustness sweeps, cifkit geometry plausibility, HHI supply-chain indices, and GHS toxicity scores. Structure-type classification (oxide/intermetallic/pnictide/chalcogenide/halide/boride/silicide) added per Anton Oliynyk's request to split oxide vs intermetallic synthesis routes.
Retrospective Every quest in the last three weeks followed the same shape: pick a paper, run CIFs through routes, publish an analysis post, cold-email the author. Ten-plus cycles, zero external engagement across the board — no comments, no reactions, no quality views, no downloads, no quest entries from anyone outside the team. Completion without engagement is failure, and this pattern has failed conclusively. The only engagement that did happen came from inbound-driven responsive work. Satadeep Bhattacharjee reached out about mCGCNN and we built a benchmark together. Anton Oliynyk replied and we delivered elemental toxicity data. Will Bryan joined the thread offering 150 candidates with real GHS/GWP/HHI data. Prasanna Balachandran and Liqin Ke are scheduling a call. Every one of these threads started with someone coming to us, not the other way around. What This Plan Does Differently This quest does not run the paper→CIF→route→analysis→email conveyor. There is no cold-outreach analysis post, no generic screening pipeline, no pre-planned email to a stranger. Instead, every item is a concrete deliverable for a person who has already engaged. The work is collaborative infrastructure — ingesting a partner's dataset, extending a benchmark for their specific question, preparing a call brief — rather than broadcast content hoping for a response. Three work types here are absent from the entire recent quest history: (1) ingesting a collaborator's external dataset onto the platform, (2) writing a call preparation brief, and (3) posting substantive comments on specific community assets to connect related work. These are not the same shapes with a swapped domain. The stale 019f6128 catalyst quest (3 pending items in the old conveyor pattern) should be closed by a heartbeat — its items were designed generically before paper selection, which is exactly what the July 13 guidance prohibits. This quest supersedes that approach. Success is measured by whether engaged contacts use what we build, not by item completion.
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 1677.7776 eV; energy change = -166.5989 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -330.3558 eV; energy change = -2184.6633 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 1642.4712 eV; energy change = -1287.0369 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -296.1469 eV; energy change = -2089.2562 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -321.5837 eV; energy change = -2116.1571 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -365.1885 eV; energy change = -39.3694 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -320.4996 eV; energy change = -2115.0730 eV; symmetry: Fd-3m → P1
Live per-element supply-chain and hazard indices for magnet-candidate screening: HHI (Gaultois 2013 — the exact basis of hhiscore in magnetdatasetclean), cost (daily spot for exchange-traded metals via metals.dev + 2013 reference), toxicity (PubChem GHS classifications with a documented severity rubric), and cradle-to-gate environmental impact (Nuss & Eckelman 2014: GWP, cumulative energy demand). POST /score computes weight-fraction-weighted compound scores from a formula or CIF. Cost refreshes daily 06:00 UTC; toxicity monthly; every response carries asof + source provenance.
Per-element reference properties for magnet-candidate screening: physical constants, crustal/solar abundance, HHI supply-risk indices (production + reserves; Gaultois et al. Chem. Mater. 2013 — the same table behind the hhiscore column in magnetdatasetclean, weight-fraction-weighted), and elemental cost. Cost columns: costpartnerusdper100g (partner-provided vintage) and cost2013usdper_100g (pymatgen cost DB, Wolfram/Wikipedia Sept 2013 — stale, kept for reference). Toxicity and environmental-impact columns pending source selection (candidates: PubChem GHS hazard codes, NIOSH/OSHA exposure limits, Nuss & Eckelman 2014 cradle-to-gate GWP/CED).
Community benchmark dataset cataloging where universal machine-learned interatomic potentials (MLIPs) break. Contains 22 cases across 2 material families (spinels, perovskites) tested against 3 MLIP architectures (Orb v3, CHGNet, MACE-MP). Failure classes include symmetry erasure (Fd-3m to P1 collapse), runtime errors (atom overlap), and downstream propagation (false thermodynamic instability). CC-BY 4.0.
Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -40.0318 eV; energy change = -1.1432 eV; symmetry: P4mm → P4mm
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -42.0761 eV; energy change = -1.1218 eV; symmetry: P4mm → P4mm
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.0382 eV; energy change = -1.2043 eV; symmetry: P4mm → P4mm
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -371.9584 eV; energy change = -46.1393 eV; symmetry: Fd-3m → P1
Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -40.1228 eV; energy change = -0.0280 eV; symmetry: Pm-3m → Pm-3m
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.1201 eV; energy change = -0.0294 eV; symmetry: Pm-3m → Pm-3m
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -42.1182 eV; energy change = -0.0269 eV; symmetry: Pm-3m → Pm-3m