{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.25 0.104659 ] [ 0 0.75 0.895341 ] [ 0.5 0.75 0.104659 ] [ 0.5 0.25 0.895341 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.147965 0.892369 0.789667 ] [ 0 0.25 0.751919 ] [ 0.352035 0.892369 0.210333 ] [ 0.147965 0.107631 0.210333 ] [ 0.352035 0.107631 0.789667 ] [ 0.647965 0.892369 0.210333 ] [ 0.852035 0.892369 0.789667 ] [ 0.647965 0.107631 0.789667 ] [ 0 0.75 0.248081 ] [ 0.852035 0.107631 0.210333 ] [ 0.647965 0.392369 0.789667 ] [ 0.5 0.75 0.751919 ] [ 0.852035 0.392369 0.210333 ] [ 0.647965 0.607631 0.210333 ] [ 0.852035 0.607631 0.789667 ] [ 0.147965 0.392369 0.210333 ] [ 0.352035 0.392369 0.789667 ] [ 0.147965 0.607631 0.789667 ] [ 0.5 0.25 0.248081 ] [ 0.352035 0.607631 0.210333 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 8.93467671 "source-unit" "angstrom" } "b" { "source-value" 8.96466276 "source-unit" "angstrom" } "c" { "source-value" 4.62318628 "source-unit" "angstrom" } }