{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.776936 0.179267 0.65139 ] [ 0.276936 0.320733 0.84861 ] [ 0.776936 0.179267 0.34861 ] [ 0.276936 0.320733 0.15139 ] [ 0.723064 0.679267 0.15139 ] [ 0.223064 0.820733 0.34861 ] [ 0.223064 0.820733 0.65139 ] [ 0.723064 0.679267 0.84861 ] [ 0.789757 0.746609 0 ] [ 0.289757 0.753391 0.5 ] [ 0.830293 0.125915 0.208192 ] [ 0.330293 0.374085 0.291808 ] [ 0.669707 0.625915 0.291808 ] [ 0.169707 0.874085 0.208192 ] [ 0.169707 0.874085 0.791808 ] [ 0.669707 0.625915 0.708192 ] [ 0.330293 0.374085 0.708192 ] [ 0.830293 0.125915 0.791808 ] [ 0.710243 0.246609 0.5 ] [ 0.210243 0.253391 0 ] ] } "species" { "source-value" [ "Mg" "Mg" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.74886915 "source-unit" "angstrom" } "b" { "source-value" 7.21005922 "source-unit" "angstrom" } "c" { "source-value" 7.46480907 "source-unit" "angstrom" } }