{ "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" [ [ 0.466927 0.483596 0.992838 ] [ 0.507495 0.826366 0.670159 ] [ 0.5388 0.180201 0.330443 ] [ 0.98708 0.348833 0.67279 ] [ 0.98387 0.652119 0.332953 ] [ 0.01494 0.010294 0.999303 ] [ 0.81882 0.3762 0.448651 ] [ 0.696976 0.204342 0.093754 ] [ 0.684328 0.535557 0.774512 ] [ 0.696649 0.870448 0.437432 ] [ 0.310659 0.459173 0.230671 ] [ 0.300876 0.793387 0.896682 ] [ 0.191275 0.292586 0.890022 ] [ 0.803267 0.038597 0.759911 ] [ 0.803085 0.712755 0.089085 ] [ 0.30498 0.134163 0.56611 ] [ 0.203438 0.633164 0.570979 ] [ 0.186533 0.948218 0.243704 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "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" 4.72883323 "source-unit" "angstrom" } "b" { "source-value" 5.59231225 "source-unit" "angstrom" } "c" { "source-value" 7.72880668 "source-unit" "angstrom" } "alpha" { "source-value" 84.65771924 "source-unit" "degree" } "beta" { "source-value" 87.0915233 "source-unit" "degree" } "gamma" { "source-value" 86.41115719 "source-unit" "degree" } }