{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.408869 0.568852 0.299702 ] [ 0.908869 0.431148 0.799702 ] [ 0.408869 0.568852 0.700298 ] [ 0.027701 0.917714 0 ] [ 0.033859 0.094209 0.5 ] [ 0.533859 0.905791 0 ] [ 0.527701 0.082286 0.5 ] [ 0.908869 0.431148 0.200298 ] [ 0.3414 0.310983 0 ] [ 0.8414 0.689017 0.5 ] [ 0.237661 0.182356 0.803349 ] [ 0.623896 0.309698 0 ] [ 0.737661 0.817644 0.303349 ] [ 0.737363 0.420467 0.5 ] [ 0.237661 0.182356 0.196651 ] [ 0.237363 0.579533 0 ] [ 0.737661 0.817644 0.696651 ] [ 0.123896 0.690302 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "C" "C" "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" 4.88616585 "source-unit" "angstrom" } "b" { "source-value" 5.08038058 "source-unit" "angstrom" } "c" { "source-value" 5.90513788 "source-unit" "angstrom" } }