{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.662688 0.054729 ] [ 0.75 0.337312 0.945271 ] [ 0.25 0.162688 0.445271 ] [ 0.75 0.837312 0.554729 ] [ 0.25 0.959274 0.823778 ] [ 0.75 0.040726 0.176222 ] [ 0.25 0.459274 0.676222 ] [ 0.75 0.540726 0.323778 ] [ 0.75 0.98008 0.399817 ] [ 0.25 0.01992 0.600183 ] [ 0.75 0.48008 0.100183 ] [ 0.25 0.51992 0.899817 ] [ 0.75 0.325416 0.503597 ] [ 0.25 0.674584 0.496403 ] [ 0.75 0.825416 0.996403 ] [ 0.25 0.174584 0.003597 ] [ 0.75 0.722622 0.707153 ] [ 0.25 0.277378 0.292847 ] [ 0.75 0.222622 0.792847 ] [ 0.25 0.777378 0.207153 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "In" "In" "In" "In" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01734256 "source-unit" "angstrom" } "b" { "source-value" 9.58492142 "source-unit" "angstrom" } "c" { "source-value" 15.50029307 "source-unit" "angstrom" } }