{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.710702 0.236173 0.216854 ] [ 0.746483 0.219996 0.78086 ] [ 0.749425 0.782539 0.222172 ] [ 0.240647 0.238691 0.223416 ] [ 0.759353 0.761309 0.776584 ] [ 0.250575 0.217461 0.777828 ] [ 0.253517 0.780004 0.21914 ] [ 0.289298 0.763827 0.783146 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Ni" "Ni" "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" 5.75584023 "source-unit" "angstrom" } "b" { "source-value" 5.85715068 "source-unit" "angstrom" } "c" { "source-value" 5.86030293 "source-unit" "angstrom" } "alpha" { "source-value" 119.5503759 "source-unit" "degree" } "beta" { "source-value" 90.14285113 "source-unit" "degree" } "gamma" { "source-value" 119.21988541 "source-unit" "degree" } }