{ "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" [ [ 0.348415 0.332548 0.160005 ] [ 0.642689 0.692678 0.332061 ] [ 0.357311 0.307322 0.667939 ] [ 0.651585 0.667452 0.839995 ] [ 0 1 0.5 ] [ 0 0 0 ] [ 0.358071 0.982054 0.330181 ] [ 0.106092 0.099095 0.703717 ] [ 0.432032 0.439169 0.371472 ] [ 0.765963 0.767396 0.037608 ] [ 0.893908 0.900905 0.296283 ] [ 0.234037 0.232604 0.962392 ] [ 0.567968 0.560831 0.628528 ] [ 0.641929 0.017946 0.669819 ] [ 0.305751 0.690645 0.002001 ] [ 0.694249 0.309355 0.997999 ] [ 0.032749 0.613382 0.677622 ] [ 0.967251 0.386618 0.322378 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.43110415 "source-unit" "angstrom" } "b" { "source-value" 5.46740115 "source-unit" "angstrom" } "c" { "source-value" 6.99032388 "source-unit" "angstrom" } "alpha" { "source-value" 73.41360575 "source-unit" "degree" } "beta" { "source-value" 72.98369925 "source-unit" "degree" } "gamma" { "source-value" 73.99042455 "source-unit" "degree" } }