{ "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" [ [ 0.5 0.75 0.103913 ] [ 0 0.75 0.396087 ] [ 0 0.25 0.603913 ] [ 0.5 0.25 0.896087 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.264584 0.25 0.468295 ] [ 0.5 0.467966 0.246681 ] [ 0.5 0.032034 0.246681 ] [ 0.735416 0.25 0.468295 ] [ 0.764584 0.25 0.031705 ] [ 0 0.032034 0.253319 ] [ 0 0.467966 0.253319 ] [ 0.235416 0.25 0.031705 ] [ 0.764584 0.75 0.968295 ] [ 0 0.967966 0.746681 ] [ 0 0.532034 0.746681 ] [ 0.235416 0.75 0.968295 ] [ 0.264584 0.75 0.531705 ] [ 0.5 0.532034 0.753319 ] [ 0.5 0.967966 0.753319 ] [ 0.735416 0.75 0.531705 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" "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" 6.22612346 "source-unit" "angstrom" } "b" { "source-value" 6.23017177 "source-unit" "angstrom" } "c" { "source-value" 9.07652677 "source-unit" "angstrom" } }