{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.096542 0.828913 ] [ 0.75 0.403458 0.328913 ] [ 0.25 0.596542 0.671087 ] [ 0.75 0.903458 0.171087 ] [ 0.25 0.338892 0.051541 ] [ 0.75 0.161108 0.551541 ] [ 0.25 0.838892 0.448459 ] [ 0.75 0.661108 0.948459 ] [ 0.75 0.013684 0.391838 ] [ 0.25 0.986316 0.608162 ] [ 0.75 0.513684 0.108162 ] [ 0.25 0.189742 0.211779 ] [ 0.75 0.310258 0.711779 ] [ 0.25 0.689742 0.288221 ] [ 0.75 0.810258 0.788221 ] [ 0.25 0.34251 0.496663 ] [ 0.75 0.15749 0.996663 ] [ 0.25 0.84251 0.003337 ] [ 0.75 0.65749 0.503337 ] [ 0.25 0.486316 0.891838 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Cr" "Cr" "Cr" "Cr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98428167 "source-unit" "angstrom" } "b" { "source-value" 8.17356248 "source-unit" "angstrom" } "c" { "source-value" 13.79698206 "source-unit" "angstrom" } }