{ "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" [ [ 0.5 0.367383 0.325353 ] [ 0.5 0.632617 0.674647 ] [ 0.5 0.867383 0.174647 ] [ 0.5 0.132617 0.825353 ] [ 0 0.658362 0.343224 ] [ 0 0.341638 0.656776 ] [ 0 0.158362 0.156776 ] [ 0 0.841638 0.843224 ] [ 0.750757 0 0.5 ] [ 0.249243 0.5 0 ] [ 0.249243 0 0.5 ] [ 0.750757 0.5 0 ] [ 0.5 0.097949 0.371286 ] [ 0.5 0.902051 0.628714 ] [ 0.5 0.597949 0.128714 ] [ 0.5 0.402051 0.871286 ] [ 0 0.139357 0.40906 ] [ 0 0.860643 0.590939 ] [ 0 0.639357 0.09094 ] [ 0 0.360643 0.909061 ] [ 0.750826 0.328702 0.170892 ] [ 0.750826 0.671298 0.829108 ] [ 0.249174 0.828702 0.329108 ] [ 0.249174 0.171298 0.670892 ] [ 0.750826 0.828702 0.329108 ] [ 0.750826 0.171298 0.670892 ] [ 0.249174 0.328702 0.170892 ] [ 0.249174 0.671298 0.829108 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "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" 6.7812661 "source-unit" "angstrom" } "b" { "source-value" 8.72224335 "source-unit" "angstrom" } "c" { "source-value" 9.32949446 "source-unit" "angstrom" } }