{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.330326 0.154826 0 ] [ 0.830326 0.845174 0.5 ] [ 0.320565 0.677513 0.251707 ] [ 0.820565 0.322487 0.248293 ] [ 0.320565 0.677513 0.748293 ] [ 0.820565 0.322487 0.751707 ] [ 0.330838 0.175576 0.5 ] [ 0.830838 0.824424 0 ] [ 0.981642 0.187655 0.5 ] [ 0.481642 0.812345 0 ] [ 0.449991 0.336086 0.733104 ] [ 0.949991 0.663914 0.766896 ] [ 0.941182 0.143082 0 ] [ 0.441182 0.856918 0.5 ] [ 0.449991 0.336086 0.266896 ] [ 0.949991 0.663914 0.233104 ] ] } "species" { "source-value" [ "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "S" "S" "S" "S" "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" 6.18421745 "source-unit" "angstrom" } "b" { "source-value" 6.41333229 "source-unit" "angstrom" } "c" { "source-value" 7.50745631 "source-unit" "angstrom" } }