{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1cn" } "basis-atom-coordinates" { "source-value" [ [ 0.985412 0.276683 0.901574 ] [ 0.985412 0.776683 0.598426 ] [ 0.485412 0.223317 0.401574 ] [ 0.485412 0.723317 0.098426 ] [ 0.773679 0.097839 0.634143 ] [ 0.773679 0.597839 0.865857 ] [ 0.273679 0.902161 0.365857 ] [ 0.273679 0.402161 0.134143 ] [ 0.74091 0.538649 0.368507 ] [ 0.74091 0.038649 0.131493 ] [ 0.24091 0.461351 0.631493 ] [ 0.24091 0.961351 0.868507 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 4.53874659 "source-unit" "angstrom" } "b" { "source-value" 5.17161793 "source-unit" "angstrom" } "c" { "source-value" 5.67656321 "source-unit" "angstrom" } }