{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.332465 0.75 ] [ 0 0.667535 0.25 ] [ 0.5 0.832465 0.75 ] [ 0.5 0.167535 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.350246 0.25 ] [ 0 0.649754 0.75 ] [ 0.5 0.850246 0.25 ] [ 0.5 0.149754 0.75 ] [ 0 0.244876 0.049285 ] [ 0 0.755124 0.549285 ] [ 0.282497 0.035207 0.75 ] [ 0.717503 0.035207 0.75 ] [ 0.282497 0.964793 0.25 ] [ 0 0.755124 0.950715 ] [ 0.717503 0.964793 0.25 ] [ 0 0.244876 0.450715 ] [ 0.5 0.744876 0.049285 ] [ 0.5 0.255124 0.549285 ] [ 0.782497 0.535207 0.75 ] [ 0.217503 0.535207 0.75 ] [ 0.782497 0.464793 0.25 ] [ 0.5 0.255124 0.950715 ] [ 0.217503 0.464793 0.25 ] [ 0.5 0.744876 0.450715 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 5.73460847533 "source-unit" "angstrom" } "b" { "source-value" 8.2998996215 "source-unit" "angstrom" } "c" { "source-value" 6.35310908 "source-unit" "angstrom" } }