{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.310215 0 0.5 ] [ 0 0.183953 0.75 ] [ 0 0.816047 0.25 ] [ 0.689785 0 0 ] [ 0.810215 0.5 0.5 ] [ 0.5 0.683953 0.75 ] [ 0.5 0.316047 0.25 ] [ 0.189785 0.5 0 ] [ 0 0.182655 0.25 ] [ 0 0.817345 0.75 ] [ 0.5 0.682655 0.25 ] [ 0.5 0.317345 0.75 ] [ 0.327922 0 0 ] [ 0.672078 0 0.5 ] [ 0.827922 0.5 0 ] [ 0.172078 0.5 0.5 ] [ 0.196671 0.998724 0.214743 ] [ 0.196671 0.001276 0.785257 ] [ 0.970174 0.331248 0.00076 ] [ 0.970174 0.668752 0.99924 ] [ 0.029826 0.668752 0.50076 ] [ 0.029826 0.331248 0.49924 ] [ 0.803329 0.001276 0.714743 ] [ 0.803329 0.998724 0.285257 ] [ 0.696671 0.498724 0.214743 ] [ 0.696671 0.501276 0.785257 ] [ 0.470174 0.831248 0.00076 ] [ 0.470174 0.168752 0.99924 ] [ 0.529826 0.168752 0.50076 ] [ 0.529826 0.831248 0.49924 ] [ 0.303329 0.501276 0.714743 ] [ 0.303329 0.498724 0.285257 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "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" 7.21194792 "source-unit" "angstrom" } "b" { "source-value" 7.69357098 "source-unit" "angstrom" } "c" { "source-value" 6.30294027 "source-unit" "angstrom" } }