{"uid":"cap_CL0rqq3qQB8UC56Bgep-W","slug":"halowerk-molecule-pairwise-distance-lennard-jones-potential-calculator-216ecd8d","name":"Halowerk Molecule Pairwise Distance & Lennard-Jones Potential Calculator","description":"Computes all pair distances and a single-parameter Lennard-Jones 12-6 potential using caller-supplied epsilon and sigma. It does not perform quantum chemistry, infer element-specific force fields, relax geometry, model bonds or predict experimental molecular behavior.","url":"https://quantum.halowerk.com/v1/molecule-sim","method":"POST","headers":{},"bodySchema":{"type":"object","properties":{"atoms":{"type":"array","items":{"type":"object","required":["element","x","y","z"],"properties":{"x":{"type":"number","maximum":1000000,"minimum":-1000000},"y":{"type":"number","maximum":1000000,"minimum":-1000000},"z":{"type":"number","maximum":1000000,"minimum":-1000000},"element":{"type":"string","maxLength":3,"minLength":1}},"additionalProperties":false},"maxItems":200,"minItems":2},"sigma":{"type":"number","maximum":1000000000,"minimum":1e-9,"description":"Pair distance scale in the same coordinate units."},"epsilon":{"type":"number","maximum":1000000000,"minimum":0,"description":"Pair potential energy scale in caller-selected units."}}},"responseSchema":null,"example":null,"exampleRequest":null,"tags":["x402"],"displayCostAmount":"0.004","displayCostAsset":"USDC","priceDynamic":false,"priceHint":null,"priceStatus":"priced","priceSource":"probe","requiresHandshake":false,"reviewCount":0,"rating":{"score":"0.00","successRate":"0.00","reviews":0,"stars":null,"state":"unrated"},"availabilityStatus":"unknown","priceObserved":null,"sessionDeposit":null,"pricing":{"kind":"static","summary":"$0.004/call","primary":{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.004","per":"call","confidence":"exact"},"accepted":[{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.004","per":"call","confidence":"exact"}]},"paymentMethods":[{"uid":"pm_cMe5qd6CriTl5kdo3z-2g","protocol":"x402","methodType":"crypto","chain":"base","mode":"charge","costAmount":"0.004","costPer":"request","priority":0,"asset":"0x833589fCD6eDb6E08f4c7C32D4f71b54bdA02913","unit":"request","depositMicros":null,"planRef":null}],"brandName":null,"brandSlug":null,"brandBaseUrl":null,"brandDocsUrl":null,"whatItDoes":"Computes all pairwise interatomic distances and a single-parameter Lennard-Jones 12-6 potential energy for a caller-supplied set of atoms with explicit 3D coordinates, epsilon, and sigma.","exampleAgentPrompt":"Calculate all pairwise distances and the Lennard-Jones 12-6 potential for a 3-atom system: carbon at (0,0,0), oxygen at (1.2,0,0), and hydrogen at (0,1.1,0), using epsilon=0.25 and sigma=3.4.","exampleUseCases":[{"title":"Argon dimer potential energy scan","prompt":"I have two argon atoms — one at (0,0,0) and one at (3.8,0,0) — and I want the Lennard-Jones 12-6 potential between them using epsilon=0.997 and sigma=3.401. Can you run that for me?"},{"title":"Water molecule interatomic distances","prompt":"Give me all pairwise distances and the LJ potential for a water molecule: oxygen at (0,0,0), hydrogen at (0.757,0.586,0), and hydrogen at (-0.757,0.586,0), with epsilon=0.15 and sigma=3.15."},{"title":"Custom force field energy for small cluster","prompt":"I've got a 5-atom cluster with coordinates I'll give you — can you compute all pair distances and the Lennard-Jones energy using my epsilon of 1.2 and sigma of 2.8?"}],"resultDescription":"Returns all pairwise interatomic distances between the supplied atoms and the aggregate Lennard-Jones 12-6 potential energy computed using the caller-supplied epsilon and sigma values. Results are in the same coordinate units provided by the caller.","failureModes":["Fewer than 2 atoms supplied — request rejected","More than 200 atoms supplied — request rejected","Sigma value at or below zero — request rejected","Epsilon value below zero — request rejected","Atom coordinate exceeds ±1,000,000 — request rejected","Missing required fields (element, x, y, z) — validation error","Payment not provided or insufficient — 402 payment required"],"whenToPreferThis":"Choose this endpoint when you need fast, classical pairwise distance computation and a simple single-parameter Lennard-Jones 12-6 potential energy calculation for a known 3D atomic configuration. It is ideal when you already have explicit coordinates and want to evaluate pair interactions without quantum chemistry, geometry optimization, bond modeling, or element-specific parameterization. Do not use it if you need real quantum mechanical energy calculations, ab initio methods, element-specific force fields, geometry relaxation, or predictions of experimental molecular properties.","instructions":null,"reviewSummary":null,"reviewSummaryHighlights":null,"reviewSummaryConcerns":null,"reviewSummaryGeneratedAt":null,"activationCount":0,"lastUsedAt":null,"lastSuccessfullyRanAt":null,"lastHealthCheckAt":"2026-09-14T06:36:12.434Z","isFirstParty":false}