{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.860524 0.25 ] [ 0 0.139476 0.75 ] [ 0.5 0.360524 0.25 ] [ 0.5 0.639476 0.75 ] [ 0.5 0.069298 0.25 ] [ 0.5 0.930702 0.75 ] [ 0 0.569298 0.25 ] [ 0 0.430702 0.75 ] [ 0.5 0.187122 0.996785 ] [ 0.5 0.812878 0.003215 ] [ 0.5 0.812878 0.496785 ] [ 0.5 0.187122 0.503215 ] [ 0 0.06857 0.25 ] [ 0 0.93143 0.75 ] [ 0 0.687122 0.996785 ] [ 0 0.312878 0.003215 ] [ 0 0.312878 0.496785 ] [ 0 0.687122 0.503215 ] [ 0.5 0.56857 0.25 ] [ 0.5 0.43143 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.51516331184 "source-unit" "angstrom" } "b" { "source-value" 10.5131049783 "source-unit" "angstrom" } "c" { "source-value" 4.33061701 "source-unit" "angstrom" } }