{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.251539 0.741009 0.698006 ] [ 0.251539 0.258991 0.698006 ] [ 0.80428 0 0.5 ] [ 0.251539 0.741009 0.301994 ] [ 0.251539 0.258991 0.301994 ] [ 0.748461 0.758991 0.198006 ] [ 0.748461 0.241009 0.198006 ] [ 0.19572 0.5 0 ] [ 0.748461 0.758991 0.801994 ] [ 0.748461 0.241009 0.801994 ] [ 0.767105 0.5 0.5 ] [ 0.232895 0 0 ] [ 0.970239 0.5 0.748984 ] [ 0.574427 0.754454 0.5 ] [ 0.574427 0.245546 0.5 ] [ 0.970239 0.5 0.251016 ] [ 0.029761 0 0.248984 ] [ 0.425573 0.745546 0 ] [ 0.425573 0.254454 0 ] [ 0.029761 0 0.751016 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 4.54131269 "source-unit" "angstrom" } "b" { "source-value" 6.61667287 "source-unit" "angstrom" } "c" { "source-value" 6.75729873 "source-unit" "angstrom" } }