{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.241726 0.73684 0.702006 ] [ 0.241726 0.26316 0.702006 ] [ 0.767194 0 0.5 ] [ 0.241726 0.73684 0.297994 ] [ 0.241726 0.26316 0.297994 ] [ 0.758274 0.76316 0.202006 ] [ 0.758274 0.23684 0.202006 ] [ 0.232806 0.5 0 ] [ 0.758274 0.76316 0.797994 ] [ 0.758274 0.23684 0.797994 ] [ 0.808937 0.5 0.5 ] [ 0.191063 0 0 ] [ 0.990487 0.5 0.780528 ] [ 0.516734 0.750405 0.5 ] [ 0.516734 0.249595 0.5 ] [ 0.990487 0.5 0.219472 ] [ 0.009513 0 0.280528 ] [ 0.483266 0.749595 0 ] [ 0.483266 0.250405 0 ] [ 0.009513 0 0.719472 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.78065601 "source-unit" "angstrom" } "b" { "source-value" 7.84183714 "source-unit" "angstrom" } "c" { "source-value" 9.22690876 "source-unit" "angstrom" } }