{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0.318356 0.285938 0.41908 ] [ 0.985022 0.619272 0.752414 ] [ 0.651689 0.952605 0.085747 ] [ 0.714062 0.032417 0.41908 ] [ 0.380728 0.365751 0.752414 ] [ 0.047395 0.699084 0.085747 ] [ 0.032417 0.318356 0.58092 ] [ 0.699084 0.651689 0.914253 ] [ 0.365751 0.985022 0.247586 ] [ 0.285938 0.967583 0.58092 ] [ 0.952605 0.300916 0.914253 ] [ 0.619272 0.634249 0.247586 ] [ 0.681644 0.714062 0.58092 ] [ 0.348311 0.047395 0.914253 ] [ 0.014978 0.380728 0.247586 ] [ 0.967583 0.681644 0.41908 ] [ 0.634249 0.014978 0.752414 ] [ 0.300916 0.348311 0.085747 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Pt" "Pt" "Pt" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.31102398697 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }