{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.037609 0.25 0.781661 ] [ 0.462391 0.25 0.281661 ] [ 0.537609 0.75 0.718339 ] [ 0.962391 0.75 0.218339 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.092498 0.75 0.908922 ] [ 0.407502 0.75 0.408922 ] [ 0.592498 0.25 0.591078 ] [ 0.907502 0.25 0.091078 ] [ 0.256909 0.75 0.058523 ] [ 0.241551 0.534981 0.851423 ] [ 0.241551 0.965019 0.851423 ] [ 0.257218 0.25 0.592204 ] [ 0.242782 0.25 0.092204 ] [ 0.258449 0.965019 0.351423 ] [ 0.258449 0.534981 0.351423 ] [ 0.243091 0.75 0.558523 ] [ 0.756909 0.25 0.441477 ] [ 0.741551 0.034981 0.648577 ] [ 0.741551 0.465019 0.648577 ] [ 0.757218 0.75 0.907796 ] [ 0.742782 0.75 0.407796 ] [ 0.758449 0.465019 0.148577 ] [ 0.758449 0.034981 0.148577 ] [ 0.743091 0.25 0.941477 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "O" "O" "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" 4.79483318 "source-unit" "angstrom" } "b" { "source-value" 6.29146496 "source-unit" "angstrom" } "c" { "source-value" 10.19406784 "source-unit" "angstrom" } }