{ "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 ] [ 0.484746 0.75 0.774055 ] [ 0.984746 0.25 0.725945 ] [ 0.515254 0.25 0.225945 ] [ 0.015254 0.75 0.274055 ] [ 0.906375 0.75 0.594503 ] [ 0.406375 0.25 0.905497 ] [ 0.093625 0.25 0.405497 ] [ 0.593625 0.75 0.094503 ] [ 0.770181 0.75 0.44386 ] [ 0.270181 0.25 0.05614 ] [ 0.229819 0.25 0.55614 ] [ 0.729819 0.75 0.94386 ] [ 0.255183 0.75 0.594423 ] [ 0.755183 0.25 0.905577 ] [ 0.744817 0.25 0.405577 ] [ 0.244817 0.75 0.094423 ] [ 0.756793 0.963073 0.66902 ] [ 0.256793 0.036927 0.83098 ] [ 0.243207 0.463073 0.33098 ] [ 0.743207 0.536927 0.16902 ] [ 0.243207 0.036927 0.33098 ] [ 0.743207 0.963073 0.16902 ] [ 0.756793 0.536927 0.66902 ] [ 0.256793 0.463073 0.83098 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.36448475 "source-unit" "angstrom" } "b" { "source-value" 8.24701271 "source-unit" "angstrom" } "c" { "source-value" 13.82406462 "source-unit" "angstrom" } }