{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.058238 ] [ 0 0.25 0.941762 ] [ 0.5 0.75 0.558238 ] [ 0.5 0.25 0.441762 ] [ 0 0.75 0.32225 ] [ 0 0.25 0.67775 ] [ 0.5 0.75 0.82225 ] [ 0.5 0.25 0.17775 ] [ 0.780688 0.594014 0.197323 ] [ 0.780688 0.094014 0.802677 ] [ 0.743211 0.098469 0.064687 ] [ 0.743211 0.598469 0.935313 ] [ 0.756789 0.098469 0.564687 ] [ 0.756789 0.598469 0.435313 ] [ 0.719312 0.094014 0.302677 ] [ 0.719312 0.594014 0.697323 ] [ 0.280688 0.905986 0.697323 ] [ 0.280688 0.405986 0.302677 ] [ 0.243211 0.901531 0.435313 ] [ 0.243211 0.401531 0.564687 ] [ 0.256789 0.401531 0.064687 ] [ 0.256789 0.901531 0.935313 ] [ 0.219312 0.905986 0.197323 ] [ 0.219312 0.405986 0.802677 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 4.62702401 "source-unit" "angstrom" } "b" { "source-value" 5.11081138 "source-unit" "angstrom" } "c" { "source-value" 11.35929567 "source-unit" "angstrom" } }