{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.188857 0.109416 ] [ 0.75 0.688857 0.390584 ] [ 0.25 0.811143 0.890584 ] [ 0.25 0.311143 0.609416 ] [ 0.75 0.318211 0.419093 ] [ 0.75 0.818211 0.080907 ] [ 0.25 0.681789 0.580907 ] [ 0.25 0.181789 0.919093 ] [ 0.25 0.452785 0.179061 ] [ 0.25 0.952785 0.320939 ] [ 0.75 0.547215 0.820939 ] [ 0.75 0.047215 0.679061 ] [ 0.75 0.116813 0.035045 ] [ 0.75 0.616813 0.464955 ] [ 0.25 0.883187 0.964955 ] [ 0.25 0.383187 0.535045 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "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" 4.25988649 "source-unit" "angstrom" } "b" { "source-value" 7.94516074 "source-unit" "angstrom" } "c" { "source-value" 10.64273282 "source-unit" "angstrom" } }