{ "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" [ [ 0.75 0.890777 0.776195 ] [ 0.75 0.864851 0.440117 ] [ 0.25 0.635149 0.940117 ] [ 0.25 0.609223 0.276195 ] [ 0.75 0.390777 0.723805 ] [ 0.75 0.364851 0.059883 ] [ 0.25 0.135149 0.559883 ] [ 0.25 0.109223 0.223805 ] [ 0.75 0.823316 0.117066 ] [ 0.25 0.676684 0.617066 ] [ 0.75 0.323316 0.382934 ] [ 0.25 0.176684 0.882934 ] [ 0.75 0.009431 0.604016 ] [ 0.75 0.99004 0.157528 ] [ 0.25 0.76115 0.113601 ] [ 0.25 0.759706 0.766643 ] [ 0.75 0.778461 0.956808 ] [ 0.25 0.721539 0.456808 ] [ 0.75 0.740294 0.266643 ] [ 0.75 0.73885 0.613601 ] [ 0.25 0.50996 0.657528 ] [ 0.25 0.490569 0.104016 ] [ 0.75 0.509431 0.895984 ] [ 0.75 0.49004 0.342472 ] [ 0.25 0.26115 0.386399 ] [ 0.25 0.259706 0.733357 ] [ 0.75 0.278461 0.543192 ] [ 0.25 0.221539 0.043192 ] [ 0.75 0.240294 0.233357 ] [ 0.75 0.23885 0.886399 ] [ 0.25 0.00996 0.842472 ] [ 0.25 0.990569 0.395984 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Ge" "Ge" "Ge" "Ge" "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" 3.660237 "source-unit" "angstrom" } "b" { "source-value" 10.23691308 "source-unit" "angstrom" } "c" { "source-value" 11.03297934 "source-unit" "angstrom" } }