{ "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 0.074416 0.25 ] [ 0 0.925584 0.75 ] [ 0.5 0.574416 0.25 ] [ 0.5 0.425584 0.75 ] [ 0 0.79616 0.25 ] [ 0 0.20384 0.75 ] [ 0.5 0.29616 0.25 ] [ 0.5 0.70384 0.75 ] [ 0.5 0.875445 0.25 ] [ 0.5 0.124555 0.75 ] [ 0.5 0.974979 0.25 ] [ 0.5 0.025021 0.75 ] [ 0.5 0.820864 0.75 ] [ 0.5 0.179136 0.25 ] [ 0 0.375445 0.25 ] [ 0 0.624555 0.75 ] [ 0 0.474979 0.25 ] [ 0 0.525021 0.75 ] [ 0 0.320864 0.75 ] [ 0 0.679136 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.0121667849 "source-unit" "angstrom" } "b" { "source-value" 17.4904028252 "source-unit" "angstrom" } "c" { "source-value" 2.97918061 "source-unit" "angstrom" } }