{ "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 0 ] [ 0 0 0.5 ] [ 0.673881 0.350664 0.761634 ] [ 0.326119 0.649336 0.238366 ] [ 0.122785 0.680632 0.12103 ] [ 0.636644 0.767594 0.077574 ] [ 0.261014 0.790325 0.402722 ] [ 0.300397 0.334498 0.344259 ] [ 0.363356 0.232406 0.922426 ] [ 0.738986 0.209675 0.597278 ] [ 0.699603 0.665502 0.655741 ] [ 0.877215 0.319368 0.87897 ] [ 0.884111 0.054491 0.265009 ] [ 0.115889 0.945509 0.734991 ] ] } "species" { "source-value" [ "Mn" "Mn" "P" "P" "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" 5.15105366781 "source-unit" "angstrom" } "b" { "source-value" 5.18814134049 "source-unit" "angstrom" } "c" { "source-value" 7.22814556542 "source-unit" "angstrom" } "alpha" { "source-value" 109.280119968 "source-unit" "degree" } "beta" { "source-value" 106.984113132 "source-unit" "degree" } "gamma" { "source-value" 96.6411395813 "source-unit" "degree" } }