{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.19282 0.25 ] [ 0 0.80718 0.75 ] [ 0.5 0.69282 0.25 ] [ 0.5 0.30718 0.75 ] [ 0 0.14904 0.557957 ] [ 0 0.14904 0.942043 ] [ 0 0.85096 0.057957 ] [ 0 0.85096 0.442043 ] [ 0.5 0.64904 0.557957 ] [ 0.5 0.64904 0.942043 ] [ 0.5 0.35096 0.057957 ] [ 0.5 0.35096 0.442043 ] [ 0.5 0.814178 0.441025 ] [ 0.5 0.814178 0.058975 ] [ 0.5 0.185822 0.941025 ] [ 0.5 0.185822 0.558975 ] [ 0 0.314178 0.441025 ] [ 0 0.314178 0.058975 ] [ 0 0.685822 0.941025 ] [ 0 0.685822 0.558975 ] [ 0 0.04646 0.117345 ] [ 0 0.04646 0.382655 ] [ 0 0.23158 0.75 ] [ 0 0.76842 0.25 ] [ 0 0.95354 0.617345 ] [ 0 0.95354 0.882655 ] [ 0.5 0.54646 0.117345 ] [ 0.5 0.54646 0.382655 ] [ 0.5 0.73158 0.75 ] [ 0.5 0.26842 0.25 ] [ 0.5 0.45354 0.617345 ] [ 0.5 0.45354 0.882655 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.85174409 "source-unit" "angstrom" } "b" { "source-value" 10.04142018 "source-unit" "angstrom" } "c" { "source-value" 10.16165571 "source-unit" "angstrom" } }