{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.848735 0.572024 ] [ 0.25 0.151265 0.427976 ] [ 0.25 0.651265 0.072024 ] [ 0.75 0.348735 0.927976 ] [ 0.75 0.489639 0.298368 ] [ 0.75 0.989639 0.201632 ] [ 0.25 0.510361 0.701632 ] [ 0.25 0.010361 0.798368 ] [ 0.75 0.730808 0.89955 ] [ 0.25 0.269192 0.10045 ] [ 0.75 0.230808 0.60045 ] [ 0.25 0.769192 0.39955 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.64635557 "source-unit" "angstrom" } "b" { "source-value" 7.67557607 "source-unit" "angstrom" } "c" { "source-value" 8.35652517 "source-unit" "angstrom" } }