{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.699454 0.939078 0.5 ] [ 0.560922 0.800546 0 ] [ 0.5 0.5 0.710782 ] [ 0.5 0.5 0.289218 ] [ 0.939078 0.300546 0.5 ] [ 0.800546 0.439078 0 ] [ 0.199454 0.560922 0 ] [ 0.060922 0.699454 0.5 ] [ 0 0 0.210782 ] [ 0 0 0.789218 ] [ 0.300546 0.060922 0.5 ] [ 0.439078 0.199454 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 6.07859034 "source-unit" "angstrom" } "c" { "source-value" 6.21345503 "source-unit" "angstrom" } }