{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.154721 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.845279 0.75 ] [ 0.5 0.654721 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.345279 0.75 ] [ 0 0.169988 0.75 ] [ 0 0.830012 0.25 ] [ 0.5 0.669988 0.75 ] [ 0.5 0.330012 0.25 ] [ 0.243584 0.994693 0.75 ] [ 0.243584 0.005307 0.25 ] [ 0 0.270855 0.013269 ] [ 0 0.270855 0.486731 ] [ 0 0.729145 0.986731 ] [ 0 0.729145 0.513269 ] [ 0.756416 0.994693 0.75 ] [ 0.756416 0.005307 0.25 ] [ 0.743584 0.494693 0.75 ] [ 0.743584 0.505307 0.25 ] [ 0.5 0.770855 0.013269 ] [ 0.5 0.770855 0.486731 ] [ 0.5 0.229145 0.986731 ] [ 0.5 0.229145 0.513269 ] [ 0.256416 0.494693 0.75 ] [ 0.256416 0.505307 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.7547673 "source-unit" "angstrom" } "b" { "source-value" 8.69421494 "source-unit" "angstrom" } "c" { "source-value" 6.56963659 "source-unit" "angstrom" } }