{ "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" [ [ 0.590791 0.190824 0.684387 ] [ 0.432542 0.803034 0.30473 ] [ 0.026375 0.474947 0.488331 ] [ 0.0191 0.029984 0.977674 ] [ 0.283328 0.289377 0.430905 ] [ 0.709799 0.706 0.571473 ] [ 0.059537 0.164371 0.842747 ] [ 0.956781 0.843557 0.160266 ] ] } "species" { "source-value" [ "Sc" "Sc" "H" "H" "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" 3.39741246653 "source-unit" "angstrom" } "b" { "source-value" 3.85572317487 "source-unit" "angstrom" } "c" { "source-value" 7.13007273885 "source-unit" "angstrom" } "alpha" { "source-value" 86.6115201015 "source-unit" "degree" } "beta" { "source-value" 81.6519426933 "source-unit" "degree" } "gamma" { "source-value" 80.9751066885 "source-unit" "degree" } }