{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.545291 0 0.572436 ] [ 0.045291 0.5 0.427564 ] [ 0.617187 0 0.990252 ] [ 0.117187 0.5 0.009748 ] [ 0.177472 0 0.240632 ] [ 0.677472 0.5 0.759368 ] [ 0.174506 0.139742 0.776929 ] [ 0.674506 0.360258 0.223071 ] [ 0.674506 0.639742 0.223071 ] [ 0.174506 0.860258 0.776929 ] [ 0.239858 0 0.427399 ] [ 0.861347 0 0.209338 ] [ 0.299195 0 0.779284 ] [ 0.314631 0.222223 0.150999 ] [ 0.814631 0.277777 0.849001 ] [ 0.799195 0.5 0.220716 ] [ 0.739858 0.5 0.572601 ] [ 0.361347 0.5 0.790662 ] [ 0.814631 0.722223 0.849001 ] [ 0.314631 0.777777 0.150999 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "P" "P" "H" "H" "H" "H" "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" 4.82178175 "source-unit" "angstrom" } "b" { "source-value" 5.62697548 "source-unit" "angstrom" } "c" { "source-value" 7.99349111 "source-unit" "angstrom" } }