{ "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 0.944641 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0 0.055359 ] [ 0.75 0.5 0.444641 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.5 0.555359 ] [ 0.25 0.75 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.51222 0 0.752029 ] [ 0.98778 0 0.752029 ] [ 0.25 0.282927 0.005183 ] [ 0.25 0.717073 0.005183 ] [ 0.75 0.717073 0.994817 ] [ 0.75 0.282927 0.994817 ] [ 0.01222 0 0.247971 ] [ 0.48778 0 0.247971 ] [ 0.01222 0.5 0.252029 ] [ 0.48778 0.5 0.252029 ] [ 0.75 0.782927 0.505183 ] [ 0.75 0.217073 0.505183 ] [ 0.25 0.217073 0.494817 ] [ 0.25 0.782927 0.494817 ] [ 0.51222 0.5 0.747971 ] [ 0.98778 0.5 0.747971 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "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" 5.96871329 "source-unit" "angstrom" } "b" { "source-value" 6.32693395 "source-unit" "angstrom" } "c" { "source-value" 8.2631067 "source-unit" "angstrom" } }