{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.854108 0.25 ] [ 0.25 0.145892 0.75 ] [ 0.25 0.419969 0.25 ] [ 0.75 0.580031 0.75 ] [ 0.75 0.381876 0.019671 ] [ 0.75 0.381876 0.480329 ] [ 0.25 0.618124 0.519671 ] [ 0.25 0.618124 0.980329 ] [ 0.986542 0.453955 0.880397 ] [ 0.513458 0.453955 0.619603 ] [ 0.486542 0.546045 0.119603 ] [ 0.013458 0.546045 0.380397 ] [ 0.013458 0.546045 0.119603 ] [ 0.486542 0.546045 0.380397 ] [ 0.513458 0.453955 0.880397 ] [ 0.986542 0.453955 0.619603 ] [ 0.75 0.873215 0.75 ] [ 0.25 0.126785 0.25 ] [ 0.25 0.901628 0.558485 ] [ 0.75 0.098372 0.058485 ] [ 0.75 0.098372 0.441515 ] [ 0.25 0.901628 0.941515 ] ] } "species" { "source-value" [ "Sr" "Sr" "V" "V" "V" "V" "V" "V" "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" 5.37190319 "source-unit" "angstrom" } "b" { "source-value" 5.66416824 "source-unit" "angstrom" } "c" { "source-value" 10.5859429 "source-unit" "angstrom" } }