From 86ef2194a55ce78ba1a2b423ccc7eb27c774c9bc Mon Sep 17 00:00:00 2001
From: kkly1995 <37456935+kkly1995@users.noreply.github.com>
Date: Tue, 9 Aug 2022 13:36:52 -0500
Subject: [PATCH] Update README.md

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 data/README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/data/README.md b/data/README.md
index b337e41..fa4841a 100644
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-`full` refers to the data containing the complete energies, forces, and stresses. For our final simulations we actually trained on the difference between these complete quantities and the respective energies, forces, and stresses calculated using repulsive short-ranged pair potentials. These subtracted energies, forces, and stresses are given in `subtracted`, but the structures are otherwise identical. The word `ensemble` actually refers to the iteration number in our iterative data generation scheme. It is not actually a very good word to describe these iterations but the naming is preserved here, for consistency.
+`full` refers to the data containing the complete energies, forces, and stresses. For our final simulations we actually trained on the difference between these complete quantities and the respective energies, forces, and stresses calculated using repulsive short-ranged pair potentials. These subtracted energies, forces, and stresses are given in `subtracted`, but the structures are otherwise identical. The word `ensemble` actually refers to the iteration number in our iterative data generation scheme. It is not actually a very good word to describe these iterations but the naming is preserved here, for consistency. Energies are in eV, forces in eV/angstrom, and virials in eV. For convenience, there is also an extended xyz version of each dataset, readable by `ASE`.