{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.593695 0.755907 0.449142 ] [ 0.406305 0.244093 0.550858 ] [ 0.549918 0.097654 0.192345 ] [ 0.450082 0.902346 0.807655 ] [ 0.854021 0.456503 0.401073 ] [ 0.145979 0.543497 0.598927 ] [ 0.847121 0.28259 0.465937 ] [ 0.152879 0.71741 0.534063 ] [ 0 0 0 ] [ 0.198389 0.35568 0.227798 ] [ 0.801611 0.64432 0.772202 ] [ 0.988338 0.866944 0.232641 ] [ 0.011662 0.133056 0.767359 ] [ 0.109263 0.834593 0.343632 ] [ 0.890737 0.165407 0.656368 ] [ 0.056593 0.328693 0.100017 ] [ 0.943407 0.671307 0.899983 ] [ 0.302414 0.379396 0.31789 ] [ 0.697586 0.620604 0.68211 ] [ 0.112501 0.924169 0.147436 ] [ 0.887499 0.075831 0.852564 ] [ 0.798628 0.845852 0.233771 ] [ 0.201372 0.154148 0.766229 ] [ 0.306917 0.908171 0.354428 ] [ 0.693083 0.091829 0.645572 ] [ 0.993402 0.742792 0.417785 ] [ 0.006598 0.257208 0.582215 ] [ 0.763309 0.321272 0.407617 ] [ 0.236691 0.678728 0.592383 ] [ 0.532725 0.269332 0.98373 ] [ 0.467275 0.730668 0.01627 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "H" "H" "H" "H" "Pt" "C" "C" "C" "C" "C" "C" "S" "S" "N" "N" "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" 6.72359519 "source-unit" "angstrom" } "b" { "source-value" 7.15440452 "source-unit" "angstrom" } "c" { "source-value" 11.22089518 "source-unit" "angstrom" } "alpha" { "source-value" 101.08723796 "source-unit" "degree" } "beta" { "source-value" 90.177993 "source-unit" "degree" } "gamma" { "source-value" 108.66122056 "source-unit" "degree" } }