{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_122" } "basis-atom-coordinates" { "source-value" [ [ 0 0.748018 0 ] [ 0.251982 0 0.25 ] [ 0.748018 0 0.75 ] [ 0.750845 0 0.25 ] [ 0 0.249155 0 ] [ 0 0.750845 0.5 ] [ 0 0.251982 0.5 ] [ 0.249155 0 0.75 ] [ 0.5 0.751886 0.5 ] [ 0.248114 0.5 0.75 ] [ 0.5 0.248114 0 ] [ 0.751886 0.5 0.25 ] [ 0.748089 0.015062 0.497685 ] [ 0.984938 0.748089 0.747685 ] [ 0.984938 0.251911 0.752315 ] [ 0.251911 0.984938 0.997685 ] [ 0.251911 0.015062 0.502315 ] [ 0.253202 0.51103 0.018331 ] [ 0.51103 0.746798 0.768331 ] [ 0.51103 0.253202 0.731669 ] [ 0.48897 0.253202 0.268331 ] [ 0.48897 0.746798 0.231669 ] [ 0.746798 0.48897 0.518331 ] [ 0.748089 0.984938 0.002315 ] [ 0.746798 0.51103 0.981669 ] [ 0.015062 0.748089 0.252315 ] [ 0.015062 0.251911 0.247685 ] [ 0.253202 0.48897 0.481669 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.74841199 "source-unit" "angstrom" } "c" { "source-value" 7.9273268 "source-unit" "angstrom" } }