{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.021235 0.75 0.275714 ] [ 0.478765 0.75 0.775714 ] [ 0.978765 0.25 0.724286 ] [ 0.521235 0.25 0.224286 ] [ 0.57575 0.75 0.088785 ] [ 0.92425 0.75 0.588785 ] [ 0.42425 0.25 0.911215 ] [ 0.07575 0.25 0.411215 ] [ 0.771721 0.542082 0.662835 ] [ 0.228279 0.457918 0.337165 ] [ 0.728279 0.542082 0.162835 ] [ 0.771721 0.957918 0.662835 ] [ 0.271721 0.042082 0.837165 ] [ 0.754388 0.25 0.902357 ] [ 0.271721 0.457918 0.837165 ] [ 0.228279 0.042082 0.337165 ] [ 0.245612 0.75 0.097643 ] [ 0.745612 0.25 0.402357 ] [ 0.70527 0.75 0.946802 ] [ 0.254388 0.75 0.597643 ] [ 0.79473 0.75 0.446802 ] [ 0.20527 0.25 0.553198 ] [ 0.29473 0.25 0.053198 ] [ 0.728279 0.957918 0.162835 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "In" "In" "In" "In" "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" 4.91256945 "source-unit" "angstrom" } "b" { "source-value" 6.15251891 "source-unit" "angstrom" } "c" { "source-value" 10.64097129 "source-unit" "angstrom" } }