{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.156504 0 ] [ 0 0.156504 0.5 ] [ 0.740207 0.858342 0.25 ] [ 0.259793 0.858342 0.75 ] [ 0.740207 0.141658 0.25 ] [ 0.259793 0.141658 0.75 ] [ 0 0.843496 0 ] [ 0 0.843496 0.5 ] [ 0.5 0.656504 0 ] [ 0.5 0.656504 0.5 ] [ 0.240207 0.358342 0.25 ] [ 0.759793 0.358342 0.75 ] [ 0.240207 0.641658 0.25 ] [ 0.759793 0.641658 0.75 ] [ 0.5 0.343496 0 ] [ 0.5 0.343496 0.5 ] [ 0.654267 0 0.75 ] [ 0.345733 0 0.25 ] [ 0.154267 0.5 0.75 ] [ 0.845733 0.5 0.25 ] [ 0.98189 0.291315 0.25 ] [ 0.01811 0.291315 0.75 ] [ 0.201952 0 0.511036 ] [ 0.201952 0 0.988964 ] [ 0.798048 0 0.011036 ] [ 0.798048 0 0.488964 ] [ 0.98189 0.708685 0.25 ] [ 0.01811 0.708685 0.75 ] [ 0.48189 0.791315 0.25 ] [ 0.51811 0.791315 0.75 ] [ 0.701952 0.5 0.511036 ] [ 0.701952 0.5 0.988964 ] [ 0.298048 0.5 0.011036 ] [ 0.298048 0.5 0.488964 ] [ 0.48189 0.208685 0.25 ] [ 0.51811 0.208685 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Zr" "Zr" "Zr" "Zr" "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" 7.48010332 "source-unit" "angstrom" } "b" { "source-value" 8.29231776 "source-unit" "angstrom" } "c" { "source-value" 6.46217665 "source-unit" "angstrom" } }