{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.09221 0.75 0 ] [ 0.488532 0.75 0.831383 ] [ 0.291228 0.456438 0.627486 ] [ 0.708772 0.956438 0.627486 ] [ 0.708772 0.543562 0.627486 ] [ 0.291228 0.043562 0.627486 ] [ 0.011468 0.75 0.331383 ] [ 0.488532 0.75 0.168617 ] [ 0.208772 0.456438 0.872514 ] [ 0.791228 0.956438 0.872514 ] [ 0.791228 0.543562 0.872514 ] [ 0.208772 0.043562 0.872514 ] [ 0.011468 0.75 0.668617 ] [ 0.40779 0.75 0.5 ] [ 0.59221 0.25 0.5 ] [ 0.988532 0.25 0.331383 ] [ 0.791228 0.956438 0.127486 ] [ 0.208772 0.456438 0.127486 ] [ 0.208772 0.043562 0.127486 ] [ 0.791228 0.543562 0.127486 ] [ 0.511468 0.25 0.831383 ] [ 0.988532 0.25 0.668617 ] [ 0.708772 0.956438 0.372514 ] [ 0.291228 0.456438 0.372514 ] [ 0.291228 0.043562 0.372514 ] [ 0.708772 0.543562 0.372514 ] [ 0.511468 0.25 0.168617 ] [ 0.90779 0.25 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.12567338 "source-unit" "angstrom" } "b" { "source-value" 7.56437307 "source-unit" "angstrom" } "c" { "source-value" 10.45129052 "source-unit" "angstrom" } }