{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.253787 0.770127 ] [ 0 0.825784 0.775454 ] [ 0 0.022553 0.265124 ] [ 0 0.565993 0.280703 ] [ 0.5 0.065993 0.719297 ] [ 0.5 0.325784 0.224546 ] [ 0.5 0.522553 0.734876 ] [ 0.5 0.753788 0.229873 ] [ 0.246539 0.495965 0.003791 ] [ 0.249846 0.7428 0.504894 ] [ 0.250154 0.2428 0.495106 ] [ 0.253461 0.995965 0.996209 ] [ 0.746539 0.995965 0.996209 ] [ 0.749846 0.2428 0.495106 ] [ 0.750154 0.7428 0.504894 ] [ 0.753461 0.495965 0.003791 ] [ 0 0.208123 0.57039 ] [ 0 0.787232 0.581628 ] [ 0 0.035063 0.067317 ] [ 0 0.473705 0.087627 ] [ 0.167163 0.438994 0.839876 ] [ 0.176083 0.198748 0.324082 ] [ 0.162983 0.77143 0.335881 ] [ 0.169248 0.026557 0.822569 ] [ 0.189802 0.492149 0.475352 ] [ 0.190516 0.744513 0.969509 ] [ 0.309484 0.244513 0.030491 ] [ 0.310198 0.992149 0.524648 ] [ 0.330752 0.526557 0.177431 ] [ 0.337017 0.27143 0.664119 ] [ 0.323917 0.698748 0.675918 ] [ 0.332837 0.938994 0.160124 ] [ 0.5 0.287232 0.418372 ] [ 0.5 0.535063 0.932683 ] [ 0.5 0.973705 0.912373 ] [ 0.5 0.708123 0.42961 ] [ 0.667163 0.938994 0.160124 ] [ 0.676083 0.698748 0.675918 ] [ 0.662983 0.27143 0.664119 ] [ 0.669248 0.526557 0.177431 ] [ 0.689802 0.992149 0.524648 ] [ 0.690516 0.244513 0.030491 ] [ 0.809484 0.744513 0.969509 ] [ 0.810198 0.492149 0.475352 ] [ 0.830752 0.026557 0.822569 ] [ 0.837017 0.77143 0.335881 ] [ 0.823917 0.198748 0.324082 ] [ 0.832837 0.438994 0.839876 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.49990713 "source-unit" "angstrom" } "b" { "source-value" 7.619701 "source-unit" "angstrom" } "c" { "source-value" 10.343649 "source-unit" "angstrom" } }