{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0 0.5 0 ] [ 0.75 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.991978 0 0.747221 ] [ 0.75 0.237246 0.984738 ] [ 0.508022 0 0.747221 ] [ 0.75 0.762754 0.984738 ] [ 0.25 0.237246 0.015262 ] [ 0.491978 0 0.252779 ] [ 0.25 0.762754 0.015262 ] [ 0.008022 0 0.252779 ] [ 0.491978 0.5 0.247221 ] [ 0.25 0.737246 0.484738 ] [ 0.008022 0.5 0.247221 ] [ 0.25 0.262754 0.484738 ] [ 0.75 0.737246 0.515262 ] [ 0.991978 0.5 0.752779 ] [ 0.75 0.262754 0.515262 ] [ 0.508022 0.5 0.752779 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.04395951 "source-unit" "angstrom" } "b" { "source-value" 6.16521345 "source-unit" "angstrom" } "c" { "source-value" 8.81598108 "source-unit" "angstrom" } }