{ "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" [ [ 0.5 0 0.5 ] [ 0.596954 0.707122 0.698172 ] [ 0.695141 0.396012 0.893224 ] [ 0.90089 0.805418 0.305741 ] [ 0.09911 0.194582 0.694259 ] [ 0 0.5 0.5 ] [ 0.196848 0.896685 0.899701 ] [ 0.304859 0.603988 0.106776 ] [ 0.403046 0.292878 0.301828 ] [ 0.803152 0.103315 0.100299 ] [ 0.978569 0.543055 0.803502 ] [ 0.208158 0.845599 0.607977 ] [ 0.376244 0.366105 0.596977 ] [ 0.81971 0.046154 0.806148 ] [ 0.623756 0.633895 0.403023 ] [ 0.58073 0.749592 0.001329 ] [ 0.791842 0.154401 0.392023 ] [ 0.021431 0.456945 0.196498 ] [ 0.18029 0.953846 0.193852 ] [ 0.41927 0.250408 0.998671 ] ] } "species" { "source-value" [ "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.96631754 "source-unit" "angstrom" } "b" { "source-value" 6.24901175 "source-unit" "angstrom" } "c" { "source-value" 7.92710916 "source-unit" "angstrom" } "alpha" { "source-value" 101.12953488 "source-unit" "degree" } "beta" { "source-value" 111.81943882 "source-unit" "degree" } "gamma" { "source-value" 90.05710768 "source-unit" "degree" } }