{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.341165 0.002619 0.46631 ] [ 0.497381 0.841165 0.71631 ] [ 0.502618 0.158835 0.21631 ] [ 0.841165 0.497381 0.28369 ] [ 0.158835 0.502618 0.78369 ] [ 0.658835 0.997382 0.96631 ] [ 0.002619 0.341165 0.53369 ] [ 0.997382 0.658835 0.03369 ] [ 0.327346 0.327346 0 ] [ 0.172654 0.827346 0.25 ] [ 0.827346 0.172654 0.75 ] [ 0.672654 0.672654 0.5 ] [ 0.151385 0.006997 0.876077 ] [ 0.493003 0.651385 0.126077 ] [ 0.506997 0.348615 0.626077 ] [ 0.651385 0.493003 0.873923 ] [ 0.348615 0.506997 0.373923 ] [ 0.848615 0.993003 0.376077 ] [ 0.006997 0.151385 0.123923 ] [ 0.993003 0.848615 0.623923 ] [ 0.202693 0.132117 0.684229 ] [ 0.367883 0.702693 0.934229 ] [ 0.632117 0.297307 0.434229 ] [ 0.702693 0.367883 0.065771 ] [ 0.297307 0.632117 0.565771 ] [ 0.797307 0.867883 0.184229 ] [ 0.132117 0.202693 0.315771 ] [ 0.867883 0.797307 0.815771 ] [ 0.29087 0.953106 0.064654 ] [ 0.546894 0.79087 0.314654 ] [ 0.453106 0.20913 0.814654 ] [ 0.79087 0.546894 0.685346 ] [ 0.20913 0.453106 0.185346 ] [ 0.70913 0.046894 0.564654 ] [ 0.953106 0.29087 0.935346 ] [ 0.046894 0.70913 0.435346 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03980918 "source-unit" "angstrom" } "c" { "source-value" 12.93214241 "source-unit" "angstrom" } }