{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.123316 0.117197 0.923725 ] [ 0.123316 0.117197 0.576275 ] [ 0.624735 0.130574 0.944809 ] [ 0.624735 0.130574 0.555191 ] [ 0.124735 0.369426 0.055191 ] [ 0.124735 0.369426 0.444809 ] [ 0.623316 0.382803 0.076275 ] [ 0.623316 0.382803 0.423725 ] [ 0.376684 0.617197 0.923725 ] [ 0.376684 0.617197 0.576275 ] [ 0.875265 0.630574 0.555191 ] [ 0.875265 0.630574 0.944809 ] [ 0.375265 0.869426 0.055191 ] [ 0.375265 0.869426 0.444809 ] [ 0.876684 0.882803 0.076275 ] [ 0.876684 0.882803 0.423725 ] [ 0.364928 0.108814 0.25 ] [ 0.864928 0.391186 0.75 ] [ 0.135072 0.608814 0.25 ] [ 0.635072 0.891186 0.75 ] [ 0.150059 0.01708 0.116925 ] [ 0.150059 0.01708 0.383075 ] [ 0.596693 0.016656 0.123966 ] [ 0.596693 0.016656 0.376034 ] [ 0.086967 0.231747 0.75 ] [ 0.645998 0.233899 0.75 ] [ 0.372019 0.244136 0.007588 ] [ 0.372019 0.244136 0.492412 ] [ 0.872019 0.255864 0.507588 ] [ 0.872019 0.255864 0.992412 ] [ 0.145998 0.266101 0.25 ] [ 0.586967 0.268253 0.25 ] [ 0.096693 0.483344 0.623966 ] [ 0.096693 0.483344 0.876034 ] [ 0.650059 0.48292 0.616925 ] [ 0.650059 0.48292 0.883075 ] [ 0.349941 0.51708 0.116925 ] [ 0.349941 0.51708 0.383075 ] [ 0.903307 0.516656 0.123966 ] [ 0.903307 0.516656 0.376034 ] [ 0.413033 0.731747 0.75 ] [ 0.854002 0.733899 0.75 ] [ 0.127981 0.744136 0.007588 ] [ 0.127981 0.744136 0.492412 ] [ 0.627981 0.755864 0.507588 ] [ 0.627981 0.755864 0.992412 ] [ 0.354002 0.766101 0.25 ] [ 0.913033 0.768253 0.25 ] [ 0.403307 0.983344 0.623966 ] [ 0.403307 0.983344 0.876034 ] [ 0.849941 0.98292 0.616925 ] [ 0.849941 0.98292 0.883075 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.65480211 "source-unit" "angstrom" } "b" { "source-value" 9.62650857 "source-unit" "angstrom" } "c" { "source-value" 9.87156909 "source-unit" "angstrom" } }