{ "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" [ [ 0.25 0.75767 0.085156 ] [ 0.75 0.24233 0.914844 ] [ 0.25 0.25767 0.414844 ] [ 0.75 0.74233 0.585156 ] [ 0.25 0.919597 0.737711 ] [ 0.75 0.080403 0.262289 ] [ 0.25 0.419597 0.762289 ] [ 0.75 0.580403 0.237711 ] [ 0.015405 0.414762 0.67634 ] [ 0.515405 0.585238 0.32366 ] [ 0.484595 0.914762 0.82366 ] [ 0.984595 0.085238 0.17634 ] [ 0.75 0.59521 0.069175 ] [ 0.25 0.40479 0.930825 ] [ 0.75 0.09521 0.430825 ] [ 0.25 0.90479 0.569175 ] [ 0.984595 0.585238 0.32366 ] [ 0.484595 0.414762 0.67634 ] [ 0.515405 0.085238 0.17634 ] [ 0.015405 0.914762 0.82366 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "B" "B" "B" "B" "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" 5.08363134 "source-unit" "angstrom" } "b" { "source-value" 5.80358898 "source-unit" "angstrom" } "c" { "source-value" 8.1422935 "source-unit" "angstrom" } }