{ "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 0 0 ] [ 0.5 0 0.5 ] [ 0.403905 0.800258 0.156984 ] [ 0.853679 0.753397 0.656333 ] [ 0.146321 0.246603 0.343667 ] [ 0.596095 0.199742 0.843016 ] [ 0.372786 0.745095 0.065463 ] [ 0.793239 0.671134 0.565048 ] [ 0.206761 0.328866 0.434952 ] [ 0.627214 0.254905 0.934537 ] [ 0.16192 0.38017 0.054643 ] [ 0.150156 0.783239 0.549814 ] [ 0.849844 0.216761 0.450186 ] [ 0.83808 0.61983 0.945357 ] [ 0.898333 0.959118 0.327065 ] [ 0.463609 0.570818 0.186383 ] [ 0.872096 0.211188 0.82281 ] [ 0.351572 0.914806 0.823653 ] [ 0.579337 0.746044 0.675537 ] [ 0.924272 0.536689 0.689253 ] [ 0.075728 0.463311 0.310747 ] [ 0.420663 0.253956 0.324463 ] [ 0.648428 0.085194 0.176347 ] [ 0.127904 0.788812 0.17719 ] [ 0.536391 0.429182 0.813617 ] [ 0.101667 0.040882 0.672935 ] ] } "species" { "source-value" [ "Mg" "Mg" "C" "C" "C" "C" "S" "S" "S" "S" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.60890937 "source-unit" "angstrom" } "b" { "source-value" 4.69012194 "source-unit" "angstrom" } "c" { "source-value" 20.34447469 "source-unit" "angstrom" } "alpha" { "source-value" 90.12276515 "source-unit" "degree" } "beta" { "source-value" 96.18108217 "source-unit" "degree" } "gamma" { "source-value" 115.41682597 "source-unit" "degree" } }