{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.880793 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0 0.119207 ] [ 0.75 0.5 0.380793 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.25 0.5 0.619207 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.015279 0.5 0.245186 ] [ 0.984721 0 0.745186 ] [ 0.75 0.762299 0.510493 ] [ 0.25 0.737701 0.010493 ] [ 0.75 0.262299 0.989507 ] [ 0.25 0.237701 0.489507 ] [ 0.015279 0 0.254814 ] [ 0.984721 0.5 0.754814 ] [ 0.515279 0 0.745186 ] [ 0.484721 0.5 0.245186 ] [ 0.25 0.262299 0.010493 ] [ 0.75 0.237701 0.510493 ] [ 0.25 0.762299 0.489507 ] [ 0.75 0.737701 0.989507 ] [ 0.515279 0.5 0.754814 ] [ 0.484721 0 0.254814 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.51321947 "source-unit" "angstrom" } "b" { "source-value" 7.53043929 "source-unit" "angstrom" } "c" { "source-value" 10.4341048 "source-unit" "angstrom" } }