{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.468433 0.673045 ] [ 0.25 0.031567 0.173045 ] [ 0.75 0.968433 0.826955 ] [ 0.25 0.531567 0.326955 ] [ 0.25 0.257797 0.870811 ] [ 0.25 0.757797 0.629189 ] [ 0.75 0.742203 0.129189 ] [ 0.75 0.242203 0.370811 ] [ 0.25 0.64341 0.941385 ] [ 0.25 0.14341 0.558615 ] [ 0.75 0.85659 0.441385 ] [ 0.75 0.35659 0.058615 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.56548211 "source-unit" "angstrom" } "b" { "source-value" 5.83803155 "source-unit" "angstrom" } "c" { "source-value" 6.89251912 "source-unit" "angstrom" } }