{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2n" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.788556 ] [ 0 0.5 0.174776 ] [ 0.5 0.5 0.288556 ] [ 0.5 0 0.674776 ] [ 0 0 0.426905 ] [ 0 0.5 0.594058 ] [ 0.5 0.5 0.926905 ] [ 0.5 0 0.094058 ] [ 0.818611 0.182104 0.587775 ] [ 0.681389 0.682104 0.087775 ] [ 0.318611 0.317896 0.087775 ] [ 0.181389 0.817896 0.587775 ] [ 0.769776 0.651679 0.414775 ] [ 0.771524 0.165438 0.255302 ] [ 0.728476 0.665438 0.755302 ] [ 0.730224 0.151679 0.914775 ] [ 0.269776 0.848321 0.914775 ] [ 0.271524 0.334562 0.755302 ] [ 0.228476 0.834562 0.255302 ] [ 0.230224 0.348321 0.414775 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.98819394 "source-unit" "angstrom" } "b" { "source-value" 5.22071871 "source-unit" "angstrom" } "c" { "source-value" 8.50842128 "source-unit" "angstrom" } }