{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.248618 ] [ 0 0.75 0.751382 ] [ 0.5 0.75 0.251382 ] [ 0.5 0.25 0.748618 ] [ 0 0.75 0.062309 ] [ 0 0.25 0.937691 ] [ 0.5 0.75 0.562309 ] [ 0.5 0.25 0.437691 ] [ 0 0.75 0.387059 ] [ 0 0.25 0.612941 ] [ 0.5 0.25 0.112941 ] [ 0.5 0.75 0.887059 ] [ 0.812791 0.535781 0.328246 ] [ 0.812791 0.035781 0.671754 ] [ 0.736176 0.414035 0.052314 ] [ 0.736176 0.914035 0.947686 ] [ 0.763824 0.914035 0.447686 ] [ 0.763824 0.414035 0.552314 ] [ 0.687209 0.035781 0.171754 ] [ 0.687209 0.535781 0.828246 ] [ 0.312791 0.464219 0.171754 ] [ 0.312791 0.964219 0.828246 ] [ 0.236176 0.085965 0.552314 ] [ 0.236176 0.585965 0.447686 ] [ 0.263824 0.085965 0.052314 ] [ 0.263824 0.585965 0.947686 ] [ 0.187209 0.964219 0.328246 ] [ 0.187209 0.464219 0.671754 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "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" 4.29468055 "source-unit" "angstrom" } "b" { "source-value" 4.76229812 "source-unit" "angstrom" } "c" { "source-value" 14.62785191 "source-unit" "angstrom" } }