{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.005986 0.75 0.722785 ] [ 0.994014 0.25 0.277215 ] [ 0.494014 0.75 0.222785 ] [ 0.505986 0.25 0.777215 ] [ 0.061762 0.25 0.595413 ] [ 0.438238 0.25 0.095413 ] [ 0.938238 0.75 0.404587 ] [ 0.561762 0.75 0.904587 ] [ 0.77973 0.530139 0.328108 ] [ 0.22027 0.469861 0.671892 ] [ 0.72027 0.530139 0.828108 ] [ 0.77973 0.969861 0.328108 ] [ 0.27973 0.030139 0.171892 ] [ 0.782186 0.25 0.095853 ] [ 0.27973 0.469861 0.171892 ] [ 0.22027 0.030139 0.671892 ] [ 0.217814 0.75 0.904147 ] [ 0.717814 0.25 0.595853 ] [ 0.793224 0.75 0.552662 ] [ 0.282186 0.75 0.404147 ] [ 0.706776 0.75 0.052662 ] [ 0.293224 0.25 0.947338 ] [ 0.206776 0.25 0.447338 ] [ 0.72027 0.969861 0.828108 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "As" "As" "As" "As" "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" 4.96329721 "source-unit" "angstrom" } "b" { "source-value" 6.04573546 "source-unit" "angstrom" } "c" { "source-value" 10.60438651 "source-unit" "angstrom" } }