{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmm2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.010259 ] [ 0.5 0.5 0.888415 ] [ 0 0 0.788779 ] [ 0 0 0.594903 ] [ 0.5 0.5 0.691798 ] [ 0.5 0.5 0.498504 ] [ 0.5 0.5 0.304737 ] [ 0 0 0.402005 ] [ 0 0 0.207338 ] [ 0.5 0.5 0.110053 ] [ 0 0.5 0.746967 ] [ 0.5 0 0.639219 ] [ 0 0.5 0.547721 ] [ 0.5 0 0.453421 ] [ 0 0.5 0.346624 ] [ 0.5 0 0.264093 ] [ 0 0.5 0.150253 ] [ 0.5 0 0.167207 ] [ 0.5 0 0.069854 ] [ 0 0.5 0.053718 ] [ 0.5 0 0.949562 ] [ 0.5 0 0.830381 ] [ 0 0.5 0.844098 ] [ 0.5 0 0.734049 ] [ 0 0.5 0.64802 ] [ 0.5 0 0.545833 ] [ 0 0.5 0.446699 ] [ 0.5 0 0.359849 ] [ 0 0.5 0.247806 ] ] } "species" { "source-value" [ "Nd" "Nd" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67712488 "source-unit" "angstrom" } "b" { "source-value" 3.68529331 "source-unit" "angstrom" } "c" { "source-value" 26.74377721 "source-unit" "angstrom" } }