{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.284757 0.215543 0.922302 ] [ 0.146997 0.866799 0.196599 ] [ 0.525157 0.576364 0.609993 ] [ 0.483377 0.933583 0.386221 ] [ 0.282627 0.717681 0.920753 ] [ 0.714932 0.291247 0.067776 ] [ 0.152421 0.366221 0.193157 ] [ 0.522932 0.056068 0.608944 ] [ 0.493808 0.42683 0.393063 ] [ 0.888182 0.125351 0.801268 ] [ 0.721617 0.78625 0.064493 ] [ 0.984862 0.997464 0.002627 ] [ 0.140255 0.317805 0.774135 ] [ 0.533717 0.422069 0.876539 ] [ 0.198064 0.773921 0.358592 ] [ 0.717789 0.58693 0.460463 ] [ 0.977756 0.508331 0.005152 ] [ 0.141677 0.832671 0.772762 ] [ 0.286064 0.910952 0.538251 ] [ 0.754732 0.736316 0.656491 ] [ 0.442167 0.082876 0.127977 ] [ 0.548532 0.918155 0.887748 ] [ 0.200287 0.266497 0.356467 ] [ 0.717763 0.091477 0.459626 ] [ 0.866835 0.176123 0.221754 ] [ 0.27988 0.410738 0.537047 ] [ 0.799361 0.227981 0.641973 ] [ 0.445329 0.575169 0.126364 ] [ 0.871165 0.676288 0.223376 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86175361 "source-unit" "angstrom" } "b" { "source-value" 7.73274482 "source-unit" "angstrom" } "c" { "source-value" 15.42589301 "source-unit" "angstrom" } "alpha" { "source-value" 75.77083831 "source-unit" "degree" } "beta" { "source-value" 81.20405657 "source-unit" "degree" } "gamma" { "source-value" 73.48922269 "source-unit" "degree" } }