{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.196344 0.00782 ] [ 0 0.249863 0.33283 ] [ 0 0.30501 0.659874 ] [ 0.5 0.69499 0.159874 ] [ 0.5 0.803656 0.50782 ] [ 0.5 0.750137 0.83283 ] [ 0.5 0.43395 0.268049 ] [ 0.5 0.494073 0.594982 ] [ 0 0.56605 0.768049 ] [ 0 0.505927 0.094982 ] [ 0 0.978839 0.56678 ] [ 0 0.944769 0.903267 ] [ 0.5 0.021161 0.06678 ] [ 0.5 0.055231 0.403267 ] [ 0.5 0.421896 0.93616 ] [ 0 0.578104 0.43616 ] [ 0 0.922329 0.230552 ] [ 0.5 0.077671 0.730552 ] ] } "species" { "source-value" [ "V" "V" "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" 3.08547198 "source-unit" "angstrom" } "b" { "source-value" 4.67008581 "source-unit" "angstrom" } "c" { "source-value" 13.95015889 "source-unit" "angstrom" } }