{ "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" [ [ 0.183479 0.999166 0.582796 ] [ 0.316521 0.999166 0.082796 ] [ 0.316521 0.500834 0.082796 ] [ 0.183479 0.500834 0.582796 ] [ 0.683479 0.499166 0.917204 ] [ 0.816521 0.499166 0.417204 ] [ 0.816521 0.000834 0.417204 ] [ 0.683479 0.000834 0.917204 ] [ 0.193971 0.25 0.829131 ] [ 0.306029 0.25 0.329131 ] [ 0.693971 0.75 0.670869 ] [ 0.806029 0.75 0.170869 ] [ 0.671035 0.25 0.654396 ] [ 0.828965 0.25 0.154396 ] [ 0.328965 0.75 0.345604 ] [ 0.171035 0.75 0.845604 ] [ 0.795233 0.070176 0.597399 ] [ 0.704767 0.070176 0.097399 ] [ 0.36501 0.25 0.633562 ] [ 0.792344 0.25 0.301007 ] [ 0.707656 0.25 0.801007 ] [ 0.13499 0.25 0.133562 ] [ 0.704767 0.429824 0.097399 ] [ 0.795233 0.429824 0.597399 ] [ 0.204767 0.570176 0.402601 ] [ 0.295233 0.570176 0.902601 ] [ 0.63499 0.75 0.366438 ] [ 0.86501 0.75 0.866438 ] [ 0.207656 0.75 0.698993 ] [ 0.292344 0.75 0.198993 ] [ 0.204767 0.929824 0.402601 ] [ 0.295233 0.929824 0.902601 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "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" 4.93924567 "source-unit" "angstrom" } "b" { "source-value" 6.67169938 "source-unit" "angstrom" } "c" { "source-value" 10.50478771 "source-unit" "angstrom" } }