{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.25 0.777384 0.734359 ] [ 0.25 0.277384 0.765641 ] [ 0.75 0.722616 0.234359 ] [ 0.75 0.222616 0.265641 ] [ 0.25 0.564642 0.137533 ] [ 0.75 0.435358 0.862467 ] [ 0.25 0.064642 0.362467 ] [ 0.75 0.935358 0.637533 ] [ 0.75 0.327297 0.408942 ] [ 0.551744 0.669649 0.304299 ] [ 0.448256 0.830351 0.804299 ] [ 0.948256 0.169649 0.195701 ] [ 0.25 0.172703 0.908942 ] [ 0.051744 0.330351 0.695701 ] [ 0.75 0.827297 0.091058 ] [ 0.25 0.672703 0.591058 ] [ 0.25 0.895329 0.121109 ] [ 0.75 0.104671 0.878891 ] [ 0.948256 0.669649 0.304299 ] [ 0.75 0.604671 0.621109 ] [ 0.051744 0.830351 0.804299 ] [ 0.551744 0.169649 0.195701 ] [ 0.448256 0.330351 0.695701 ] [ 0.25 0.395329 0.378891 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "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" 6.07686495 "source-unit" "angstrom" } "b" { "source-value" 7.11094683 "source-unit" "angstrom" } "c" { "source-value" 8.25610867 "source-unit" "angstrom" } }