{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.861832 0.281996 ] [ 0.5 0.138168 0.718004 ] [ 0 0.361832 0.218004 ] [ 0 0.638168 0.781996 ] [ 0.5 0.551116 0.349444 ] [ 0.5 0.448884 0.650556 ] [ 0 0.051116 0.150556 ] [ 0 0.948884 0.849444 ] [ 0.5 0.822023 0.57425 ] [ 0.5 0.177977 0.42575 ] [ 0 0.322023 0.92575 ] [ 0 0.677977 0.07425 ] [ 0.5 0.891573 0.040025 ] [ 0.5 0.108427 0.959975 ] [ 0 0.391573 0.459975 ] [ 0 0.608427 0.540025 ] [ 0 0.965903 0.400721 ] [ 0 0.034097 0.599279 ] [ 0.5 0.465903 0.099279 ] [ 0.5 0.534097 0.900721 ] [ 0 0.255449 0.633733 ] [ 0 0.744551 0.366267 ] [ 0.5 0.755449 0.866267 ] [ 0.5 0.244551 0.133733 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37973429 "source-unit" "angstrom" } "b" { "source-value" 10.51417029 "source-unit" "angstrom" } "c" { "source-value" 11.23510583 "source-unit" "angstrom" } }