{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.14001 0.094301 ] [ 0.75 0.85999 0.905699 ] [ 0.75 0.35999 0.594301 ] [ 0.25 0.64001 0.405699 ] [ 0.75 0.069069 0.391646 ] [ 0.75 0.569069 0.108354 ] [ 0.25 0.430931 0.891646 ] [ 0.25 0.930931 0.608354 ] [ 0.75 0.419483 0.198187 ] [ 0.25 0.580517 0.801813 ] [ 0.25 0.080517 0.698187 ] [ 0.75 0.919483 0.301813 ] [ 0.75 0.682577 0.044979 ] [ 0.25 0.317423 0.955021 ] [ 0.25 0.817423 0.544979 ] [ 0.75 0.182577 0.455021 ] [ 0.25 0.421691 0.527225 ] [ 0.75 0.078309 0.027225 ] [ 0.25 0.921691 0.972775 ] [ 0.75 0.578309 0.472775 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39913635 "source-unit" "angstrom" } "b" { "source-value" 7.81253746 "source-unit" "angstrom" } "c" { "source-value" 12.44219722 "source-unit" "angstrom" } }