{ "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 0.134196 0.067797 ] [ 0.25 0.865804 0.932203 ] [ 0.75 0.634196 0.432203 ] [ 0.25 0.365804 0.567797 ] [ 0.25 0.663681 0.722415 ] [ 0.75 0.336319 0.277585 ] [ 0.25 0.163681 0.777585 ] [ 0.75 0.836319 0.222415 ] [ 0.25 0.507673 0.104206 ] [ 0.75 0.492327 0.895794 ] [ 0.25 0.007673 0.395794 ] [ 0.75 0.992327 0.604206 ] [ 0.25 0.758984 0.541778 ] [ 0.75 0.241016 0.458222 ] [ 0.25 0.258984 0.958222 ] [ 0.75 0.741016 0.041778 ] [ 0.25 0.628113 0.295348 ] [ 0.75 0.371887 0.704652 ] [ 0.25 0.128113 0.204652 ] [ 0.75 0.871887 0.795348 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.78360079 "source-unit" "angstrom" } "b" { "source-value" 6.92643603 "source-unit" "angstrom" } "c" { "source-value" 14.43527448 "source-unit" "angstrom" } }