{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.074904 0.089086 ] [ 0.75 0.574904 0.410914 ] [ 0.25 0.425096 0.589086 ] [ 0.75 0.925096 0.910914 ] [ 0.75 0.97715 0.0576 ] [ 0.25 0.401118 0.104121 ] [ 0.75 0.901118 0.395879 ] [ 0.25 0.47715 0.4424 ] [ 0.75 0.52285 0.5576 ] [ 0.25 0.098882 0.604121 ] [ 0.75 0.598882 0.895879 ] [ 0.25 0.02285 0.9424 ] [ 0.25 0.927859 0.207542 ] [ 0.75 0.427859 0.292458 ] [ 0.25 0.572141 0.707542 ] [ 0.75 0.072141 0.792458 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "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" 3.61187097 "source-unit" "angstrom" } "b" { "source-value" 4.87343157 "source-unit" "angstrom" } "c" { "source-value" 13.62777054 "source-unit" "angstrom" } }