{ "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 0.221764 0 ] [ 0 0.778236 0.5 ] [ 0.221764 0 0.25 ] [ 0.778236 0 0.75 ] [ 0.256586 0.256586 0.625 ] [ 0.256586 0.743414 0.875 ] [ 0.743414 0.256586 0.375 ] [ 0.743414 0.743414 0.125 ] [ 0.218064 0.5 0.25 ] [ 0.5 0.218064 0 ] [ 0.5 0.781936 0.5 ] [ 0.781936 0.5 0.75 ] [ 0.026281 0.265241 0.25281 ] [ 0.026281 0.734759 0.24719 ] [ 0.265241 0.026281 0.99719 ] [ 0.265241 0.973719 0.50281 ] [ 0.267933 0.480855 0.019601 ] [ 0.267933 0.519145 0.480399 ] [ 0.480855 0.267933 0.230399 ] [ 0.480855 0.732067 0.269601 ] [ 0.519145 0.267933 0.769601 ] [ 0.519145 0.732067 0.730399 ] [ 0.732067 0.519145 0.519601 ] [ 0.732067 0.480855 0.980399 ] [ 0.734759 0.026281 0.00281 ] [ 0.734759 0.973719 0.49719 ] [ 0.973719 0.265241 0.74719 ] [ 0.973719 0.734759 0.75281 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" "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" 6.28526514 "source-unit" "angstrom" } "c" { "source-value" 8.6418642 "source-unit" "angstrom" } }