{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.787318 0.867983 0.073809 ] [ 0.188714 0.119678 0.161168 ] [ 0.688714 0.619678 0.338832 ] [ 0.287318 0.367983 0.426191 ] [ 0.712682 0.867983 0.573809 ] [ 0.311286 0.119678 0.661168 ] [ 0.811286 0.619678 0.838832 ] [ 0.212682 0.367983 0.926191 ] [ 0.189759 0.618311 0.166593 ] [ 0.689759 0.118311 0.333407 ] [ 0.310241 0.618311 0.666593 ] [ 0.810241 0.118311 0.833407 ] [ 0.690864 0.367963 0.088287 ] [ 0.190864 0.867963 0.411713 ] [ 0.809136 0.367963 0.588287 ] [ 0.309136 0.867963 0.911713 ] [ 0.196869 0.868219 0.051612 ] [ 0.370475 0.366073 0.088471 ] [ 0.78861 0.584093 0.162266 ] [ 0.794095 0.149497 0.158519 ] [ 0.294095 0.649497 0.341481 ] [ 0.28861 0.084093 0.337734 ] [ 0.870475 0.866073 0.411529 ] [ 0.696869 0.368219 0.448388 ] [ 0.303131 0.868219 0.551612 ] [ 0.129525 0.366073 0.588471 ] [ 0.71139 0.584093 0.662266 ] [ 0.705905 0.149497 0.658519 ] [ 0.205905 0.649497 0.841481 ] [ 0.21139 0.084093 0.837734 ] [ 0.629525 0.866073 0.911529 ] [ 0.803131 0.368219 0.948388 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.15956091 "source-unit" "angstrom" } "b" { "source-value" 6.28792312 "source-unit" "angstrom" } "c" { "source-value" 11.0058985 "source-unit" "angstrom" } }