{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.466194 0.69262 0.241347 ] [ 0.466194 0.69262 0.758653 ] [ 0.533806 0.19262 0.258653 ] [ 0.533806 0.19262 0.741347 ] [ 0.967603 0.951864 0 ] [ 0.033999 0.454111 0 ] [ 0.032397 0.451864 0.5 ] [ 0.966001 0.954111 0.5 ] [ 0.967061 0.759658 0.750209 ] [ 0.032939 0.259658 0.749791 ] [ 0.475229 0.443866 0.5 ] [ 0.032939 0.259658 0.250209 ] [ 0.409041 0.956456 0.5 ] [ 0.967061 0.759658 0.249791 ] [ 0.590959 0.456456 0 ] [ 0.524771 0.943866 0 ] [ 0.394266 0.467808 0 ] [ 0.36903 0.316918 0.5 ] [ 0.328438 0.940244 0 ] [ 0.025036 0.193499 0.133096 ] [ 0.038021 0.701416 0.861768 ] [ 0.889298 0.898207 0.754396 ] [ 0.974964 0.693499 0.366904 ] [ 0.605734 0.967808 0.5 ] [ 0.693023 0.451905 0.886246 ] [ 0.110702 0.398207 0.745604 ] [ 0.961979 0.201416 0.638232 ] [ 0.63097 0.816918 0 ] [ 0.110702 0.398207 0.254396 ] [ 0.961979 0.201416 0.361768 ] [ 0.624134 0.074323 0 ] [ 0.889298 0.898207 0.245604 ] [ 0.693023 0.451905 0.113754 ] [ 0.974964 0.693499 0.633096 ] [ 0.375866 0.574323 0.5 ] [ 0.306977 0.951905 0.386246 ] [ 0.038021 0.701416 0.138232 ] [ 0.025036 0.193499 0.866904 ] [ 0.306977 0.951905 0.613754 ] [ 0.671562 0.440244 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Nd" "Nd" "Nd" "Nd" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "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" 6.55326219 "source-unit" "angstrom" } "b" { "source-value" 8.6871614 "source-unit" "angstrom" } "c" { "source-value" 9.83339399 "source-unit" "angstrom" } }