{ "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" [ [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.966142 0.75 0.240289 ] [ 0.466142 0.25 0.259711 ] [ 0.533858 0.75 0.740289 ] [ 0.033858 0.25 0.759711 ] [ 0.744003 0.75 0.089696 ] [ 0.23211 0.998317 0.170413 ] [ 0.23211 0.501683 0.170413 ] [ 0.669801 0.25 0.102337 ] [ 0.169801 0.75 0.397663 ] [ 0.73211 0.498317 0.329587 ] [ 0.73211 0.001683 0.329587 ] [ 0.244003 0.25 0.410304 ] [ 0.755997 0.75 0.589696 ] [ 0.26789 0.998317 0.670413 ] [ 0.26789 0.501683 0.670413 ] [ 0.830199 0.25 0.602337 ] [ 0.330199 0.75 0.897663 ] [ 0.76789 0.498317 0.829587 ] [ 0.76789 0.001683 0.829587 ] [ 0.255997 0.25 0.910304 ] ] } "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" 4.638836 "source-unit" "angstrom" } "b" { "source-value" 5.8983368 "source-unit" "angstrom" } "c" { "source-value" 10.18370464 "source-unit" "angstrom" } }