{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.89347 0.25 0.75 ] [ 0.10653 0.25 0.25 ] [ 0.89347 0.75 0.75 ] [ 0.10653 0.75 0.25 ] [ 0.39347 0.75 0.75 ] [ 0.60653 0.75 0.25 ] [ 0.39347 0.25 0.75 ] [ 0.60653 0.25 0.25 ] [ 0 0.163199 0.5 ] [ 0 0.336801 0 ] [ 0 0.663199 0 ] [ 0 0.836801 0.5 ] [ 0.5 0.663199 0.5 ] [ 0.5 0.836801 0 ] [ 0.5 0.163199 0 ] [ 0.5 0.336801 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.839654 0.17623 0.107958 ] [ 0.160346 0.82377 0.892042 ] [ 0.839654 0.32377 0.392042 ] [ 0.160346 0.32377 0.607958 ] [ 0.166183 0 0.597733 ] [ 0.333817 0 0.097733 ] [ 0.666183 0 0.902267 ] [ 0.160346 0.17623 0.892042 ] [ 0.833817 0 0.402267 ] [ 0.839654 0.67623 0.392042 ] [ 0.160346 0.67623 0.607958 ] [ 0.839654 0.82377 0.107958 ] [ 0.339654 0.67623 0.107958 ] [ 0.660346 0.32377 0.892042 ] [ 0.339654 0.82377 0.392042 ] [ 0.660346 0.82377 0.607958 ] [ 0.666183 0.5 0.597733 ] [ 0.833817 0.5 0.097733 ] [ 0.166183 0.5 0.902267 ] [ 0.660346 0.67623 0.892042 ] [ 0.333817 0.5 0.402267 ] [ 0.339654 0.17623 0.392042 ] [ 0.660346 0.17623 0.607958 ] [ 0.339654 0.32377 0.107958 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.39077871 "source-unit" "angstrom" } "b" { "source-value" 9.21947655 "source-unit" "angstrom" } "c" { "source-value" 10.2932538 "source-unit" "angstrom" } }