From b3bec0478d9faf0476c58072b617ee5710621dc9 Mon Sep 17 00:00:00 2001 From: "Adam M. Krajewski" <54290107+amkrajewski@users.noreply.github.com> Date: Thu, 25 Apr 2024 21:09:33 -0400 Subject: [PATCH] (PL) added the simple cubic `SC` prototype of elemental `Po` --- pysipfenn/misc/prototypeLibrary.yaml | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/pysipfenn/misc/prototypeLibrary.yaml b/pysipfenn/misc/prototypeLibrary.yaml index 0b29eff..fc3a185 100644 --- a/pysipfenn/misc/prototypeLibrary.yaml +++ b/pysipfenn/misc/prototypeLibrary.yaml @@ -76,3 +76,15 @@ Direct 0.00000 0.00000 0.00000 0.75000 0.25000 0.50000 +- name: SC + origin: http://crystallography.net/cod/1512532.html + POSCAR: | + Po1 + 1.0 + 3.345000 0.000000 0.000000 + 0.000000 3.345000 0.000000 + 0.000000 0.000000 3.345000 + Po + 1 + direct + 0.000000 0.000000 0.000000 \ No newline at end of file