{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.202608 ] [ 0 0.5 0.797392 ] [ 0.5 0 0.702608 ] [ 0.5 0 0.297392 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.741794 0.855994 ] [ 0.5 0.258206 0.144006 ] [ 0.5 0.741794 0.144006 ] [ 0.5 0.258206 0.855994 ] [ 0.5 0 0.5 ] [ 0 0.241794 0.355994 ] [ 0 0.758206 0.644006 ] [ 0 0.241794 0.644006 ] [ 0 0.758206 0.355994 ] ] } "species" { "source-value" [ "Ba" "Ba" "Pr" "Pr" "Pr" "Pr" "Ni" "Ni" "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" 3.87899934508 "source-unit" "angstrom" } "b" { "source-value" 6.02595396008 "source-unit" "angstrom" } "c" { "source-value" 11.8900835954 "source-unit" "angstrom" } }