{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.990224 0.264258 0.14515 ] [ 0.99164 0.746513 0.837263 ] [ 0.496847 0.244469 0.645033 ] [ 0.509747 0.742534 0.363381 ] [ 0.767708 0.079905 0.887833 ] [ 0.768009 0.583083 0.114119 ] [ 0.726354 0.571167 0.609259 ] [ 0.737219 0.077629 0.388849 ] [ 0.268771 0.917959 0.611494 ] [ 0.268679 0.420336 0.388603 ] [ 0.232811 0.425049 0.887686 ] [ 0.24199 0.927098 0.121327 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.48349343 "source-unit" "angstrom" } "b" { "source-value" 4.97511299 "source-unit" "angstrom" } "c" { "source-value" 5.52049825 "source-unit" "angstrom" } "alpha" { "source-value" 89.96256142 "source-unit" "degree" } "beta" { "source-value" 88.57626853 "source-unit" "degree" } "gamma" { "source-value" 89.92250631 "source-unit" "degree" } }