{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.301659 0.695463 0.207112 ] [ 0.75 0.826822 0.5 ] [ 0.25 0.173178 0.5 ] [ 0.198341 0.695463 0.792888 ] [ 0.698341 0.304537 0.792888 ] [ 0.801659 0.304537 0.207112 ] [ 0.75 0.710091 0 ] [ 0.25 0.289909 0 ] [ 0.898767 0.084375 0.380027 ] [ 0.601233 0.084375 0.619973 ] [ 0.101233 0.915625 0.619973 ] [ 0.398767 0.915625 0.380027 ] [ 0.547778 0.474367 0.298065 ] [ 0.452222 0.525633 0.701935 ] [ 0.952222 0.474367 0.701935 ] [ 0.047778 0.525633 0.298065 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "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" 5.73414156965 "source-unit" "angstrom" } "b" { "source-value" 5.52647447 "source-unit" "angstrom" } "c" { "source-value" 9.67615997145 "source-unit" "angstrom" } "beta" { "source-value" 95.0876594323 "source-unit" "degree" } }