{ "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 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.969366 0.078157 0.25 ] [ 0.469366 0.421843 0.75 ] [ 0.530634 0.578157 0.25 ] [ 0.030634 0.921843 0.75 ] [ 0.642733 0.066099 0.75 ] [ 0.186914 0.186804 0.925733 ] [ 0.186914 0.186804 0.574267 ] [ 0.686914 0.313196 0.074267 ] [ 0.686914 0.313196 0.425733 ] [ 0.142733 0.433901 0.25 ] [ 0.857267 0.566099 0.75 ] [ 0.313086 0.686804 0.925733 ] [ 0.313086 0.686804 0.574267 ] [ 0.813086 0.813196 0.074267 ] [ 0.813086 0.813196 0.425733 ] [ 0.357267 0.933901 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 5.12361679 "source-unit" "angstrom" } "b" { "source-value" 5.45321992 "source-unit" "angstrom" } "c" { "source-value" 7.7245877 "source-unit" "angstrom" } }