{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.319036 0.912303 ] [ 0.753313 0.038031 0.869546 ] [ 0.246687 0.038031 0.869546 ] [ 0.5 0.750682 0.819646 ] [ 0 0.250682 0.680354 ] [ 0.746687 0.538031 0.630454 ] [ 0.253313 0.538031 0.630454 ] [ 0 0.819036 0.587697 ] [ 0 0.180964 0.412303 ] [ 0.746687 0.461969 0.369546 ] [ 0.253313 0.461969 0.369546 ] [ 0 0.749318 0.319646 ] [ 0.5 0.249318 0.180354 ] [ 0.753313 0.961969 0.130454 ] [ 0.246687 0.961969 0.130454 ] [ 0.5 0.680964 0.087697 ] [ 0 0.741657 0.874468 ] [ 0.5 0.241657 0.625532 ] [ 0.5 0.758343 0.374468 ] [ 0 0.258343 0.125532 ] [ 0.749731 0.77024 0.968565 ] [ 0.250269 0.77024 0.968565 ] [ 0 0.54958 0.738828 ] [ 0.5 0.474599 0.736713 ] [ 0 0.974599 0.763287 ] [ 0.5 0.04958 0.761172 ] [ 0.750269 0.27024 0.531435 ] [ 0.249731 0.27024 0.531435 ] [ 0.249731 0.72976 0.468565 ] [ 0.750269 0.72976 0.468565 ] [ 0.5 0.95042 0.238828 ] [ 0 0.025401 0.236713 ] [ 0.5 0.525401 0.263287 ] [ 0 0.45042 0.261172 ] [ 0.749731 0.22976 0.031435 ] [ 0.250269 0.22976 0.031435 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" 6.31184861 "source-unit" "angstrom" } "b" { "source-value" 6.71207958 "source-unit" "angstrom" } "c" { "source-value" 9.21639249 "source-unit" "angstrom" } }