{ "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 0.351295 0.422488 ] [ 0.25 0.648705 0.577512 ] [ 0.75 0.851295 0.077512 ] [ 0.25 0.148705 0.922488 ] [ 0.75 0.866334 0.387083 ] [ 0.25 0.133666 0.612917 ] [ 0.75 0.366334 0.112917 ] [ 0.25 0.633666 0.887083 ] [ 0.75 0.386473 0.74204 ] [ 0.25 0.613527 0.25796 ] [ 0.75 0.886473 0.75796 ] [ 0.25 0.113527 0.24204 ] [ 0.75 0.351679 0.602609 ] [ 0.25 0.648321 0.397391 ] [ 0.75 0.851679 0.897391 ] [ 0.25 0.148321 0.102609 ] [ 0.75 0.920934 0.62002 ] [ 0.25 0.079066 0.37998 ] [ 0.75 0.420934 0.87998 ] [ 0.25 0.579066 0.12002 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 2.98108134 "source-unit" "angstrom" } "b" { "source-value" 6.20003417 "source-unit" "angstrom" } "c" { "source-value" 13.29617444 "source-unit" "angstrom" } }