{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.895577 0.963795 0.25 ] [ 0.895577 0.036205 0.75 ] [ 0.926894 0.5 0 ] [ 0.307533 0 0.5 ] [ 0.926894 0.5 0.5 ] [ 0.307533 0 0 ] [ 0.39997 0.517061 0.863744 ] [ 0.39997 0.482939 0.136256 ] [ 0.39997 0.482939 0.363744 ] [ 0.39997 0.517061 0.636256 ] [ 0.787814 0 0.5 ] [ 0.787814 0 0 ] [ 0.708182 0.501863 0.612581 ] [ 0.297241 0.799917 0.880386 ] [ 0.230394 0.324777 0.93127 ] [ 0.708182 0.498137 0.387419 ] [ 0.297241 0.200083 0.380386 ] [ 0.351185 0.425542 0.75 ] [ 0.230394 0.324777 0.56873 ] [ 0.351185 0.574458 0.25 ] [ 0.230394 0.675223 0.06873 ] [ 0.297241 0.799917 0.619614 ] [ 0.708182 0.498137 0.112581 ] [ 0.297241 0.200083 0.119614 ] [ 0.708182 0.501863 0.887419 ] [ 0.230394 0.675223 0.43127 ] ] } "species" { "source-value" [ "Cs" "Cs" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "Cl" "Cl" "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" 5.40999114 "source-unit" "angstrom" } "b" { "source-value" 5.65171796 "source-unit" "angstrom" } "c" { "source-value" 15.19317358 "source-unit" "angstrom" } }