{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.133325 ] [ 0 0.75 0.866675 ] [ 0.5 0.75 0.633325 ] [ 0.5 0.25 0.366675 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.5 0.968794 0.230639 ] [ 0.5 0.531206 0.230639 ] [ 0.721332 0.75 0.998353 ] [ 0.278668 0.75 0.998353 ] [ 0.721332 0.25 0.001647 ] [ 0.278668 0.25 0.001647 ] [ 0.5 0.468794 0.769361 ] [ 0.5 0.031206 0.769361 ] [ 0 0.468794 0.730639 ] [ 0 0.031206 0.730639 ] [ 0.221332 0.25 0.498353 ] [ 0.778668 0.25 0.498353 ] [ 0.221332 0.75 0.501647 ] [ 0.778668 0.75 0.501647 ] [ 0 0.968794 0.269361 ] [ 0 0.531206 0.269361 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 5.74000669 "source-unit" "angstrom" } "b" { "source-value" 5.85344672 "source-unit" "angstrom" } "c" { "source-value" 8.65092825 "source-unit" "angstrom" } }