{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.187767 ] [ 0 0.75 0.812233 ] [ 0.5 0.75 0.687767 ] [ 0.5 0.25 0.312233 ] [ 0 0.75 0.401882 ] [ 0 0.25 0.598118 ] [ 0.5 0.75 0.098118 ] [ 0.5 0.25 0.901882 ] [ 0.781222 0.914748 0.587347 ] [ 0.781222 0.414748 0.412653 ] [ 0.75 0.452254 0.75 ] [ 0.75 0.952254 0.25 ] [ 0.718778 0.414748 0.087347 ] [ 0.718778 0.914748 0.912653 ] [ 0.281222 0.085252 0.087347 ] [ 0.281222 0.585252 0.912653 ] [ 0.25 0.547746 0.25 ] [ 0.25 0.047746 0.75 ] [ 0.218778 0.085252 0.412653 ] [ 0.218778 0.585252 0.587347 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "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" 5.04817337 "source-unit" "angstrom" } "b" { "source-value" 5.38545336 "source-unit" "angstrom" } "c" { "source-value" 9.00696558 "source-unit" "angstrom" } }