{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.154224 0.574037 0.276231 ] [ 0.718081 0.85246 0.431615 ] [ 0.433826 0.726011 0.859932 ] [ 0.563122 0.270587 0.148815 ] [ 0.278484 0.141917 0.556251 ] [ 0.852298 0.43569 0.723417 ] [ 0.37515 0.922203 0.223597 ] [ 0.501613 0.499424 0.500863 ] [ 0.076072 0.772155 0.624097 ] [ 0.776386 0.622128 0.075755 ] [ 0.222292 0.377017 0.920545 ] [ 0.921967 0.226012 0.3805 ] [ 0.626483 0.080358 0.778384 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "N" "N" "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" 5.46561549 "source-unit" "angstrom" } "b" { "source-value" 5.46964116 "source-unit" "angstrom" } "c" { "source-value" 5.47295985 "source-unit" "angstrom" } "alpha" { "source-value" 99.79910218 "source-unit" "degree" } "beta" { "source-value" 99.84097267 "source-unit" "degree" } "gamma" { "source-value" 99.69275968 "source-unit" "degree" } }