{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.96311 0 0 ] [ 0.03689 0.5 0.5 ] [ 0.758583 0 0.5 ] [ 0.241417 0.5 0 ] [ 0.760705 0.736738 0.5 ] [ 0.760705 0.263262 0.5 ] [ 0.743533 0.5 0 ] [ 0.751985 0 0.24474 ] [ 0.751985 0 0.75526 ] [ 0.248015 0.5 0.74474 ] [ 0.248015 0.5 0.25526 ] [ 0.256467 0 0.5 ] [ 0.239295 0.763262 0 ] [ 0.239295 0.236738 0 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "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" 3.79036423 "source-unit" "angstrom" } "b" { "source-value" 6.83347749 "source-unit" "angstrom" } "c" { "source-value" 7.08973265 "source-unit" "angstrom" } }