{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_322" } "basis-atom-coordinates" { "source-value" [ [ 0 0.22053 0 ] [ 0 0.77947 0.5 ] [ 0.22053 0 0.25 ] [ 0.77947 0 0.75 ] [ 0.234531 0.5 0.25 ] [ 0.5 0.234531 0 ] [ 0.5 0.765469 0.5 ] [ 0.765469 0.5 0.75 ] [ 0.255433 0.255433 0.625 ] [ 0.255433 0.744567 0.875 ] [ 0.744567 0.255433 0.375 ] [ 0.744567 0.744567 0.125 ] [ 0.984139 0.260102 0.261388 ] [ 0.984139 0.739898 0.238612 ] [ 0.260102 0.984139 0.988612 ] [ 0.260102 0.015861 0.511388 ] [ 0.259825 0.495653 0.500685 ] [ 0.259825 0.504347 0.999315 ] [ 0.504347 0.259825 0.250685 ] [ 0.504347 0.740175 0.249315 ] [ 0.495653 0.259825 0.749315 ] [ 0.495653 0.740175 0.750685 ] [ 0.740175 0.495653 0.499315 ] [ 0.740175 0.504347 0.000685 ] [ 0.739898 0.015861 0.488612 ] [ 0.739898 0.984139 0.011388 ] [ 0.015861 0.260102 0.738612 ] [ 0.015861 0.739898 0.761388 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.69597275 "source-unit" "angstrom" } "c" { "source-value" 8.04460867 "source-unit" "angstrom" } }