{ "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" [ [ 0.015171 0.939387 0.75 ] [ 0.515171 0.560613 0.25 ] [ 0.484829 0.439387 0.75 ] [ 0.984829 0.060613 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.700983 0.29552 0.451992 ] [ 0.200983 0.20448 0.548008 ] [ 0.799017 0.79552 0.048008 ] [ 0.299017 0.70448 0.951992 ] [ 0.299017 0.70448 0.548008 ] [ 0.799017 0.79552 0.451992 ] [ 0.200983 0.20448 0.951992 ] [ 0.700983 0.29552 0.048008 ] [ 0.094343 0.473009 0.25 ] [ 0.594343 0.026991 0.75 ] [ 0.405657 0.973009 0.25 ] [ 0.905657 0.526991 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ti" "Ti" "Ti" "Ti" "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" 5.50560407 "source-unit" "angstrom" } "b" { "source-value" 5.73577544 "source-unit" "angstrom" } "c" { "source-value" 7.85485648 "source-unit" "angstrom" } }