{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.980572 0.558223 0.888453 ] [ 0.980572 0.558223 0.611547 ] [ 0.519428 0.058223 0.888453 ] [ 0.519428 0.058223 0.611547 ] [ 0.480572 0.941777 0.388453 ] [ 0.480572 0.941777 0.111547 ] [ 0.019428 0.441777 0.388453 ] [ 0.019428 0.441777 0.111547 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.952405 0.929611 0.25 ] [ 0.547595 0.429611 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.452405 0.570389 0.75 ] [ 0.047595 0.070389 0.75 ] [ 0.886983 0.94046 0.859846 ] [ 0.886983 0.94046 0.640154 ] [ 0.881948 0.575462 0.25 ] [ 0.806115 0.697472 0.469687 ] [ 0.806115 0.697472 0.030313 ] [ 0.693885 0.197472 0.469687 ] [ 0.693885 0.197472 0.030313 ] [ 0.618052 0.075462 0.25 ] [ 0.613017 0.44046 0.859846 ] [ 0.613017 0.44046 0.640154 ] [ 0.386983 0.55954 0.359846 ] [ 0.386983 0.55954 0.140154 ] [ 0.381948 0.924538 0.75 ] [ 0.306115 0.802528 0.969687 ] [ 0.306115 0.802528 0.530313 ] [ 0.193885 0.302528 0.530313 ] [ 0.193885 0.302528 0.969687 ] [ 0.118052 0.424538 0.75 ] [ 0.113017 0.05954 0.359846 ] [ 0.113017 0.05954 0.140154 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "In" "In" "In" "In" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.89627383 "source-unit" "angstrom" } "b" { "source-value" 5.91809792 "source-unit" "angstrom" } "c" { "source-value" 15.16024076 "source-unit" "angstrom" } }