From 6885c894b0126f842676ba312ae574fb11d7e439 Mon Sep 17 00:00:00 2001
From: Max Rakitin <maxim.rakitin@gmail.com>
Date: Tue, 4 Apr 2023 14:26:56 -0400
Subject: [PATCH 1/2] Add simple cubic material

---
 src/made.js     |  3 ++-
 src/material.js | 41 +++++++++++++++++++++++++++++++++++++++++
 2 files changed, 43 insertions(+), 1 deletion(-)

diff --git a/src/made.js b/src/made.js
index 6d4c1fef..0d6270d5 100644
--- a/src/made.js
+++ b/src/made.js
@@ -5,7 +5,7 @@ import { AtomicConstraints } from "./constraints/constraints";
 import { Lattice, nonPeriodicLatticeScalingFactor } from "./lattice/lattice";
 import { ReciprocalLattice } from "./lattice/reciprocal/lattice_reciprocal";
 import { DEFAULT_LATTICE_UNITS, LATTICE_TYPE_CONFIGS } from "./lattice/types";
-import { defaultMaterialConfig, Material } from "./material";
+import { defaultMaterialConfig, Material, simpleBasisMaterialConfig } from "./material";
 import MadeMath from "./math";
 import parsers from "./parsers/parsers";
 import tools from "./tools/index";
@@ -19,6 +19,7 @@ export const Made = {
 
     Material,
     defaultMaterialConfig,
+    simpleBasisMaterialConfig,
     Lattice,
     nonPeriodicLatticeScalingFactor,
     ReciprocalLattice,
diff --git a/src/material.js b/src/material.js
index 4129ae07..af13c979 100644
--- a/src/material.js
+++ b/src/material.js
@@ -14,6 +14,47 @@ import { LATTICE_TYPE } from "./lattice/types";
 import parsers from "./parsers/parsers";
 import supercellTools from "./tools/supercell";
 
+export const simpleBasisMaterialConfig = {
+    name: "Silicon Cubic",
+    basis: {
+        elements: [
+            {
+                id: 1,
+                value: "Si",
+            },
+            {
+                id: 2,
+                value: "Si",
+            },
+        ],
+        coordinates: [
+            {
+                id: 1,
+                value: [0.0, 0.0, 0.0],
+            },
+            {
+                id: 2,
+                value: [0.25, 0.25, 0.25],
+            },
+        ],
+        units: ATOMIC_COORD_UNITS.crystal,
+    },
+    lattice: {
+        // Conventional cubic cell
+        type: LATTICE_TYPE.CUB,
+        a: 5.43,
+        b: 5.43,
+        c: 5.43,
+        alpha: 90,
+        beta: 90,
+        gamma: 90,
+        units: {
+            length: units.angstrom,
+            angle: units.degree,
+        },
+    },
+};
+
 export const defaultMaterialConfig = {
     name: "Silicon FCC",
     basis: {

From cdc0bcf3dfbb221b1b6b62ac6e25a48b0f974ff5 Mon Sep 17 00:00:00 2001
From: Max Rakitin <maxim.rakitin@gmail.com>
Date: Tue, 4 Apr 2023 21:38:21 -0400
Subject: [PATCH 2/2] Use MP-10 material for simple cubic

---
 src/material.js | 21 +++++++--------------
 1 file changed, 7 insertions(+), 14 deletions(-)

diff --git a/src/material.js b/src/material.js
index af13c979..e00296aa 100644
--- a/src/material.js
+++ b/src/material.js
@@ -15,26 +15,19 @@ import parsers from "./parsers/parsers";
 import supercellTools from "./tools/supercell";
 
 export const simpleBasisMaterialConfig = {
-    name: "Silicon Cubic",
+    name: "As Simple Cubic",
+    description: "https://materialsproject.org/materials/mp-10",
     basis: {
         elements: [
             {
                 id: 1,
-                value: "Si",
-            },
-            {
-                id: 2,
-                value: "Si",
+                value: "As",
             },
         ],
         coordinates: [
             {
                 id: 1,
-                value: [0.0, 0.0, 0.0],
-            },
-            {
-                id: 2,
-                value: [0.25, 0.25, 0.25],
+                value: [0.5, 0.5, 0.5],
             },
         ],
         units: ATOMIC_COORD_UNITS.crystal,
@@ -42,9 +35,9 @@ export const simpleBasisMaterialConfig = {
     lattice: {
         // Conventional cubic cell
         type: LATTICE_TYPE.CUB,
-        a: 5.43,
-        b: 5.43,
-        c: 5.43,
+        a: 2.7,
+        b: 2.7,
+        c: 2.7,
         alpha: 90,
         beta: 90,
         gamma: 90,