{ "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" [ [ 0.752608 0.323 0.302355 ] [ 0.252608 0.677 0.197645 ] [ 0.252608 0.677 0.802355 ] [ 0.752608 0.323 0.697645 ] [ 0.173812 0.027207 0.5 ] [ 0.673812 0.972793 0 ] [ 0.27041 0.83152 0.5 ] [ 0.77041 0.16848 0 ] [ 0.113213 0.410842 0.237834 ] [ 0.613213 0.589158 0.262166 ] [ 0.613213 0.589158 0.737834 ] [ 0.113213 0.410842 0.762166 ] [ 0.996202 0.058212 0.636153 ] [ 0.496202 0.941788 0.863847 ] [ 0.496202 0.941788 0.136153 ] [ 0.996202 0.058212 0.363847 ] [ 0.906873 0.83399 0 ] [ 0.406873 0.16601 0.5 ] [ 0.336158 0.583686 0 ] [ 0.836158 0.416314 0.5 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "S" "S" "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" 4.77061153 "source-unit" "angstrom" } "b" { "source-value" 7.12248296 "source-unit" "angstrom" } "c" { "source-value" 9.06278579 "source-unit" "angstrom" } }