{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.010366 0.158483 ] [ 0 0.010366 0.841517 ] [ 0 0.99942 0.5 ] [ 0 0.502195 0.332292 ] [ 0 0.480341 0 ] [ 0 0.502195 0.667708 ] [ 0.5 0.510366 0.158483 ] [ 0.5 0.510366 0.841517 ] [ 0.5 0.49942 0.5 ] [ 0.5 0.002195 0.332292 ] [ 0.5 0.980341 0 ] [ 0.5 0.002195 0.667708 ] [ 0 0.191195 0 ] [ 0.304871 0.99499 0.164667 ] [ 0.304871 0.99499 0.835333 ] [ 0.302839 0.003977 0.5 ] [ 0.695129 0.99499 0.164667 ] [ 0.695129 0.99499 0.835333 ] [ 0.697161 0.003977 0.5 ] [ 0.5 0.691195 0 ] [ 0.804871 0.49499 0.164667 ] [ 0.804871 0.49499 0.835333 ] [ 0.802839 0.503977 0.5 ] [ 0.195129 0.49499 0.164667 ] [ 0.195129 0.49499 0.835333 ] [ 0.197161 0.503977 0.5 ] [ 0 0.19391 0.665411 ] [ 0 0.19391 0.334589 ] [ 0 0.790961 0 ] [ 0 0.818612 0.675359 ] [ 0 0.818612 0.324641 ] [ 0.5 0.69391 0.665411 ] [ 0.5 0.69391 0.334589 ] [ 0.5 0.290961 0 ] [ 0.5 0.318612 0.675359 ] [ 0.5 0.318612 0.324641 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "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" 6.26917061 "source-unit" "angstrom" } "b" { "source-value" 7.0645067 "source-unit" "angstrom" } "c" { "source-value" 9.11144258 "source-unit" "angstrom" } }