{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.7968 0.216128 ] [ 0.75 0.2032 0.783872 ] [ 0.75 0.2968 0.283872 ] [ 0.25 0.7032 0.716128 ] [ 0.25 0.435203 0.875286 ] [ 0.75 0.564797 0.124714 ] [ 0.75 0.935203 0.624714 ] [ 0.25 0.064797 0.375286 ] [ 0.25 0.373828 0.54597 ] [ 0.75 0.626172 0.45403 ] [ 0.75 0.873828 0.95403 ] [ 0.25 0.126172 0.04597 ] [ 0.25 0.679111 0.972604 ] [ 0.75 0.320889 0.027396 ] [ 0.75 0.179111 0.527396 ] [ 0.25 0.820889 0.472604 ] [ 0.25 0.000254 0.806773 ] [ 0.75 0.999746 0.193227 ] [ 0.75 0.500254 0.693227 ] [ 0.25 0.499746 0.306773 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.58213047 "source-unit" "angstrom" } "b" { "source-value" 9.87512793 "source-unit" "angstrom" } "c" { "source-value" 10.20383903 "source-unit" "angstrom" } }