{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.09569 0.343932 ] [ 0 0.153519 0.572696 ] [ 0 0.167057 0.180246 ] [ 0.5 0.332943 0.680246 ] [ 0.5 0.346481 0.072696 ] [ 0 0.40431 0.843932 ] [ 0 0.59569 0.156068 ] [ 0.5 0.653519 0.927304 ] [ 0.5 0.667057 0.319754 ] [ 0 0.832943 0.819754 ] [ 0 0.846481 0.427304 ] [ 0.5 0.90431 0.656068 ] [ 0.5 0.115304 0.897968 ] [ 0 0.384696 0.397968 ] [ 0 0.615304 0.602032 ] [ 0.5 0.884696 0.102032 ] [ 0.5 0.106163 0.116299 ] [ 0 0.169844 0.378107 ] [ 0.5 0.330156 0.878107 ] [ 0 0.393837 0.616299 ] [ 0 0.606163 0.383701 ] [ 0.5 0.669844 0.121893 ] [ 0 0.830156 0.621893 ] [ 0.5 0.893837 0.883701 ] [ 0.5 0.117522 0.645441 ] [ 0 0.382478 0.145441 ] [ 0 0.617522 0.854559 ] [ 0.5 0.882478 0.354559 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.55471689 "source-unit" "angstrom" } "b" { "source-value" 9.0214292 "source-unit" "angstrom" } "c" { "source-value" 9.98299786 "source-unit" "angstrom" } }