{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.217585 0.866844 ] [ 0 0.782415 0.133156 ] [ 0 0.717585 0.633156 ] [ 0 0.282415 0.366844 ] [ 0.5 0.242773 0.623836 ] [ 0.5 0.757227 0.376164 ] [ 0.5 0.742773 0.876164 ] [ 0.5 0.257227 0.123836 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0.972985 0.730507 ] [ 0.5 0.027015 0.269493 ] [ 0.5 0.472985 0.769493 ] [ 0.5 0.527015 0.230507 ] [ 0 0.201624 0.597928 ] [ 0 0.798376 0.402072 ] [ 0 0.298376 0.097928 ] [ 0 0.701624 0.902072 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.84968994 "source-unit" "angstrom" } "b" { "source-value" 5.63337551 "source-unit" "angstrom" } "c" { "source-value" 11.05635562 "source-unit" "angstrom" } }