{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.754098 0.534779 ] [ 0.75 0.245902 0.465221 ] [ 0.75 0.254098 0.965221 ] [ 0.25 0.745902 0.034779 ] [ 0.25 0.987474 0.785047 ] [ 0.75 0.012526 0.214953 ] [ 0.75 0.487474 0.714953 ] [ 0.25 0.512526 0.285047 ] [ 0.25 0.243573 0.607622 ] [ 0.75 0.756427 0.392378 ] [ 0.75 0.743573 0.892378 ] [ 0.25 0.256427 0.107622 ] [ 0.25 0.496695 0.857076 ] [ 0.75 0.503305 0.142924 ] [ 0.75 0.996695 0.642924 ] [ 0.25 0.003305 0.357076 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86451571 "source-unit" "angstrom" } "b" { "source-value" 6.40569276 "source-unit" "angstrom" } "c" { "source-value" 16.617142 "source-unit" "angstrom" } }