{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.706621 0.52634 0.75 ] [ 0.206621 0.97366 0.25 ] [ 0.793379 0.02634 0.75 ] [ 0.293379 0.47366 0.25 ] [ 0.007685 0.250952 0.394383 ] [ 0.507685 0.249048 0.605617 ] [ 0.492315 0.750952 0.105617 ] [ 0.992315 0.749048 0.894383 ] [ 0.992315 0.749048 0.605617 ] [ 0.492315 0.750952 0.394383 ] [ 0.507685 0.249048 0.894383 ] [ 0.007685 0.250952 0.105617 ] [ 0.857192 0.058297 0.37353 ] [ 0.357192 0.441703 0.62647 ] [ 0.642808 0.558297 0.12647 ] [ 0.142808 0.941703 0.87353 ] [ 0.142808 0.941703 0.62647 ] [ 0.642808 0.558297 0.37353 ] [ 0.357192 0.441703 0.87353 ] [ 0.857192 0.058297 0.12647 ] [ 0.72796 0.113829 0.25 ] [ 0.22796 0.386171 0.75 ] [ 0.77204 0.613829 0.25 ] [ 0.27204 0.886171 0.75 ] [ 0.247004 0.172324 0.140465 ] [ 0.747004 0.327676 0.859535 ] [ 0.252996 0.672324 0.359535 ] [ 0.752996 0.827676 0.640465 ] [ 0.752996 0.827676 0.859535 ] [ 0.252996 0.672324 0.140465 ] [ 0.747004 0.327676 0.640465 ] [ 0.247004 0.172324 0.359535 ] [ 0.756374 0.910957 0.75 ] [ 0.256374 0.589043 0.25 ] [ 0.743626 0.410957 0.75 ] [ 0.243626 0.089043 0.25 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12547014 "source-unit" "angstrom" } "b" { "source-value" 8.50034981 "source-unit" "angstrom" } "c" { "source-value" 13.87382888 "source-unit" "angstrom" } }