{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.370696 0.619508 ] [ 0.5 0.629304 0.380492 ] [ 0 0.870696 0.880492 ] [ 0 0.129304 0.119508 ] [ 0.5 0.540294 0.845739 ] [ 0.5 0.459706 0.154261 ] [ 0 0.040294 0.654261 ] [ 0 0.959706 0.345739 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99804397 "source-unit" "angstrom" } "b" { "source-value" 4.80397616 "source-unit" "angstrom" } "c" { "source-value" 10.67771285 "source-unit" "angstrom" } }