{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.696846 0.768491 ] [ 0 0.303154 0.268491 ] [ 0.5 0.696846 0.231509 ] [ 0 0.303154 0.731509 ] [ 0 0.778336 0.5 ] [ 0.5 0.221664 0 ] [ 0.5 0.264671 0.5 ] [ 0 0.735329 0 ] [ 0.5 0.282237 0.732439 ] [ 0.5 0.282237 0.267561 ] [ 0 0.717763 0.767561 ] [ 0 0.717763 0.232439 ] [ 0.746949 0.062457 0.5 ] [ 0.253051 0.062457 0.5 ] [ 0.731502 0.506323 0.5 ] [ 0.268498 0.506323 0.5 ] [ 0.246949 0.937543 0 ] [ 0.753051 0.937543 0 ] [ 0.768498 0.493677 0 ] [ 0.231502 0.493677 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Mo" "Mo" "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" 5.81094659 "source-unit" "angstrom" } "b" { "source-value" 6.13299019 "source-unit" "angstrom" } "c" { "source-value" 8.33586347 "source-unit" "angstrom" } }