{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.5 0 0 ] [ 0.25 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0 0 0.5 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.997652 0.74902 ] [ 0.753114 0.25 0.986899 ] [ 0.5 0.002348 0.24902 ] [ 0.246886 0.25 0.986899 ] [ 0.753114 0.75 0.013101 ] [ 0.5 0.997652 0.75098 ] [ 0.246886 0.75 0.013101 ] [ 0 0.002348 0.25098 ] [ 0.5 0.497652 0.24902 ] [ 0.253114 0.75 0.486899 ] [ 0 0.502348 0.74902 ] [ 0.746886 0.75 0.486899 ] [ 0.253114 0.25 0.513101 ] [ 0 0.497652 0.25098 ] [ 0.746886 0.25 0.513101 ] [ 0.5 0.502348 0.75098 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.89036034 "source-unit" "angstrom" } "b" { "source-value" 6.33398143 "source-unit" "angstrom" } "c" { "source-value" 8.55876213 "source-unit" "angstrom" } }