{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.5 0 0 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.25 0.227258 0.003315 ] [ 0.988172 0.5 0.73771 ] [ 0.75 0.272742 0.503315 ] [ 0.511828 0.5 0.73771 ] [ 0.988172 0 0.76229 ] [ 0.75 0.227258 0.996685 ] [ 0.511828 0 0.76229 ] [ 0.25 0.272742 0.496685 ] [ 0.75 0.727258 0.503315 ] [ 0.488172 0 0.23771 ] [ 0.25 0.772742 0.003315 ] [ 0.011828 0 0.23771 ] [ 0.488172 0.5 0.26229 ] [ 0.25 0.727258 0.496685 ] [ 0.011828 0.5 0.26229 ] [ 0.75 0.772742 0.996685 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.78803339 "source-unit" "angstrom" } "b" { "source-value" 5.81485314 "source-unit" "angstrom" } "c" { "source-value" 8.23817068 "source-unit" "angstrom" } }