{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.848862 ] [ 0 0 0.151138 ] [ 0 0 0.5 ] [ 0.5 0.5 0.651138 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.348862 ] [ 0.185003 0.814997 0 ] [ 0.314997 0.314997 0.5 ] [ 0.685003 0.685003 0.5 ] [ 0.814997 0.185003 0 ] [ 0.18579 0.81421 0.31514 ] [ 0.18579 0.81421 0.68486 ] [ 0.31421 0.31421 0.81514 ] [ 0.31421 0.31421 0.18486 ] [ 0.68579 0.68579 0.81514 ] [ 0.68579 0.68579 0.18486 ] [ 0.81421 0.18579 0.31514 ] [ 0.81421 0.18579 0.68486 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 4.8743491 "source-unit" "angstrom" } "c" { "source-value" 9.44580549 "source-unit" "angstrom" } }