{ "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" [ [ 0.75 0.222284 0.297906 ] [ 0.25 0.777716 0.702094 ] [ 0.75 0.722284 0.202094 ] [ 0.25 0.277716 0.797906 ] [ 0.25 0.248656 0.059855 ] [ 0.75 0.751344 0.940145 ] [ 0.25 0.748656 0.440145 ] [ 0.75 0.251344 0.559855 ] [ 0.25 0.408099 0.190379 ] [ 0.75 0.591901 0.809621 ] [ 0.25 0.908099 0.309621 ] [ 0.75 0.091901 0.690379 ] [ 0.75 0.105745 0.132636 ] [ 0.25 0.894255 0.867364 ] [ 0.75 0.605745 0.367364 ] [ 0.25 0.394255 0.632636 ] [ 0.75 0.133721 0.964169 ] [ 0.25 0.866279 0.035831 ] [ 0.75 0.633721 0.535831 ] [ 0.25 0.366279 0.464169 ] [ 0.25 0.995152 0.557245 ] [ 0.75 0.004848 0.442755 ] [ 0.25 0.495152 0.942755 ] [ 0.75 0.504848 0.057245 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sm" "Sm" "Sm" "Sm" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72132924 "source-unit" "angstrom" } "b" { "source-value" 6.23498871 "source-unit" "angstrom" } "c" { "source-value" 15.72907104 "source-unit" "angstrom" } }