{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.020494 0.948983 0.75 ] [ 0.479506 0.448983 0.75 ] [ 0.520494 0.551017 0.25 ] [ 0.979506 0.051017 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.789271 0.787049 0.083102 ] [ 0.289271 0.712951 0.583102 ] [ 0.289271 0.712951 0.916898 ] [ 0.789271 0.787049 0.416898 ] [ 0.851766 0.583585 0.75 ] [ 0.148234 0.416415 0.25 ] [ 0.210729 0.212951 0.583102 ] [ 0.351766 0.916415 0.25 ] [ 0.648234 0.083585 0.75 ] [ 0.710729 0.287049 0.083102 ] [ 0.710729 0.287049 0.416898 ] [ 0.210729 0.212951 0.916898 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Pr" "Pr" "Pr" "Pr" "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" 6.32768266 "source-unit" "angstrom" } "b" { "source-value" 6.51171193 "source-unit" "angstrom" } "c" { "source-value" 8.50297588 "source-unit" "angstrom" } }