{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.526467 0.25 0.148273 ] [ 0.026467 0.75 0.351727 ] [ 0.973533 0.25 0.648273 ] [ 0.473533 0.75 0.851727 ] [ 0.538917 0.75 0.180803 ] [ 0.038917 0.25 0.319197 ] [ 0.961083 0.75 0.680803 ] [ 0.461083 0.25 0.819197 ] [ 0.237452 0.75 0.150838 ] [ 0.669873 0.945053 0.11243 ] [ 0.669873 0.554947 0.11243 ] [ 0.101172 0.25 0.155814 ] [ 0.601172 0.75 0.344186 ] [ 0.169873 0.054947 0.38757 ] [ 0.169873 0.445053 0.38757 ] [ 0.737452 0.25 0.349162 ] [ 0.262548 0.75 0.650838 ] [ 0.830127 0.945053 0.612429 ] [ 0.830127 0.554947 0.612429 ] [ 0.398828 0.25 0.655814 ] [ 0.898828 0.75 0.844186 ] [ 0.330127 0.445053 0.887571 ] [ 0.330127 0.054947 0.887571 ] [ 0.762548 0.25 0.849162 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.06629734 "source-unit" "angstrom" } "b" { "source-value" 6.41680669 "source-unit" "angstrom" } "c" { "source-value" 9.41443699 "source-unit" "angstrom" } }