{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.88438 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0 0.11562 ] [ 0.25 0.5 0.38438 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.75 0.5 0.61562 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.483718 0 0.746621 ] [ 0.016282 0 0.746621 ] [ 0.75 0.737409 0.012191 ] [ 0.75 0.262591 0.012191 ] [ 0.25 0.737409 0.987809 ] [ 0.25 0.262591 0.987809 ] [ 0.983718 0 0.253379 ] [ 0.516282 0 0.253379 ] [ 0.983718 0.5 0.246621 ] [ 0.516282 0.5 0.246621 ] [ 0.25 0.237409 0.512191 ] [ 0.25 0.762591 0.512191 ] [ 0.75 0.237409 0.487809 ] [ 0.75 0.762591 0.487809 ] [ 0.483718 0.5 0.753379 ] [ 0.016282 0.5 0.753379 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mg" "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.41190159792 "source-unit" "angstrom" } "b" { "source-value" 7.48860674864 "source-unit" "angstrom" } "c" { "source-value" 10.4833620609 "source-unit" "angstrom" } }