{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.551595 0.75 ] [ 0 0.448405 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.051595 0.75 ] [ 0.5 0.948405 0.25 ] [ 0 0.194683 0.25 ] [ 0.307893 0 0 ] [ 0.307893 0 0.5 ] [ 0.692107 0 0 ] [ 0.692107 0 0.5 ] [ 0 0.805317 0.75 ] [ 0.5 0.694683 0.25 ] [ 0.807893 0.5 0 ] [ 0.807893 0.5 0.5 ] [ 0.192107 0.5 0 ] [ 0.192107 0.5 0.5 ] [ 0.5 0.305317 0.75 ] [ 0 0.196782 0.75 ] [ 0 0.803218 0.25 ] [ 0.5 0.696782 0.75 ] [ 0.5 0.303218 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.40617113 "source-unit" "angstrom" } "b" { "source-value" 7.01552442 "source-unit" "angstrom" } "c" { "source-value" 5.99958161 "source-unit" "angstrom" } }