{ "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 0.73829 0.831679 ] [ 0.75 0.76171 0.331679 ] [ 0.25 0.23829 0.668321 ] [ 0.75 0.26171 0.168321 ] [ 0.25 0.583518 0.096777 ] [ 0.25 0.558846 0.610602 ] [ 0.75 0.916482 0.596777 ] [ 0.75 0.441154 0.389398 ] [ 0.75 0.941154 0.110602 ] [ 0.25 0.058846 0.889398 ] [ 0.75 0.416482 0.903223 ] [ 0.25 0.083518 0.403223 ] [ 0.25 0.371165 0.031016 ] [ 0.25 0.295569 0.337447 ] [ 0.25 0.471973 0.783577 ] [ 0.75 0.905344 0.923324 ] [ 0.25 0.971973 0.716423 ] [ 0.25 0.594656 0.423324 ] [ 0.75 0.704431 0.662553 ] [ 0.75 0.528027 0.216423 ] [ 0.25 0.094656 0.076676 ] [ 0.75 0.204431 0.837447 ] [ 0.25 0.795569 0.162553 ] [ 0.25 0.871165 0.468984 ] [ 0.75 0.128835 0.531016 ] [ 0.75 0.028027 0.283577 ] [ 0.75 0.628835 0.968984 ] [ 0.75 0.405344 0.576676 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Se" "Se" "Se" "Se" "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" 3.7836428 "source-unit" "angstrom" } "b" { "source-value" 11.48988925 "source-unit" "angstrom" } "c" { "source-value" 13.68667981 "source-unit" "angstrom" } }