{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.055205 0.06093 0.323862 ] [ 0.055205 0.43907 0.323862 ] [ 0.944795 0.56093 0.676138 ] [ 0.944795 0.93907 0.676138 ] [ 0.597856 0.25 0.546598 ] [ 0.488827 0.25 0.149088 ] [ 0.511173 0.75 0.850912 ] [ 0.402144 0.75 0.453402 ] [ 0.667092 0.75 0.178348 ] [ 0.332908 0.25 0.821652 ] [ 0.342537 0.398756 0.178448 ] [ 0.1668 0.102093 0.801088 ] [ 0.1668 0.397907 0.801088 ] [ 0.192318 0.75 0.76398 ] [ 0.8332 0.897907 0.198912 ] [ 0.8332 0.602093 0.198912 ] [ 0.807682 0.25 0.23602 ] [ 0.761772 0.398269 0.521274 ] [ 0.761772 0.101731 0.521274 ] [ 0.706412 0.75 0.545972 ] [ 0.460409 0.75 0.021705 ] [ 0.657463 0.898756 0.821552 ] [ 0.238228 0.898269 0.478726 ] [ 0.57516 0.25 0.71929 ] [ 0.42484 0.75 0.28071 ] [ 0.238228 0.601731 0.478726 ] [ 0.342537 0.101244 0.178448 ] [ 0.539591 0.25 0.978295 ] [ 0.293588 0.25 0.454028 ] [ 0.657463 0.601244 0.821552 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.77728989671 "source-unit" "angstrom" } "b" { "source-value" 8.65156938 "source-unit" "angstrom" } "c" { "source-value" 9.13637063929 "source-unit" "angstrom" } "beta" { "source-value" 100.132483269 "source-unit" "degree" } }