{ "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" [ [ 0.488598 0.080172 0.913519 ] [ 0.351824 0.077301 0.527691 ] [ 0.899625 0.090389 0.487227 ] [ 0.60996 0.153233 0.358987 ] [ 0.43535 0.29664 0.773862 ] [ 0.136407 0.330365 0.58538 ] [ 0.894117 0.349115 0.659857 ] [ 0.271521 0.49549 0.941988 ] [ 0.572258 0.409257 0.615912 ] [ 0.874709 0.518726 0.891542 ] [ 0.513265 0.327818 0.158474 ] [ 0.2777 0.53669 0.55467 ] [ 0.7223 0.46331 0.44533 ] [ 0.486735 0.672182 0.841526 ] [ 0.125291 0.481274 0.108458 ] [ 0.427742 0.590743 0.384088 ] [ 0.728479 0.50451 0.058012 ] [ 0.105883 0.650885 0.340143 ] [ 0.863593 0.669635 0.41462 ] [ 0.56465 0.70336 0.226138 ] [ 0.39004 0.846767 0.641013 ] [ 0.100375 0.909611 0.512773 ] [ 0.648176 0.922699 0.472309 ] [ 0.511402 0.919828 0.086481 ] [ 0.152867 0.177496 0.845954 ] [ 0.734156 0.165794 0.783054 ] [ 0.289865 0.270348 0.320821 ] [ 0.835922 0.265045 0.234912 ] [ 0.164078 0.734955 0.765088 ] [ 0.710135 0.729652 0.679179 ] [ 0.265844 0.834206 0.216946 ] [ 0.847133 0.822504 0.154046 ] [ 0.529257 0.066454 0.721357 ] [ 0.134122 0.136554 0.645511 ] [ 0.736044 0.149177 0.591926 ] [ 0.360868 0.279036 0.938112 ] [ 0.055307 0.360664 0.87597 ] [ 0.643274 0.134355 0.150599 ] [ 0.675354 0.364987 0.833547 ] [ 0.331135 0.298497 0.526438 ] [ 0.886268 0.291563 0.440822 ] [ 0.495576 0.349069 0.363539 ] [ 0.258309 0.551073 0.758311 ] [ 0.793718 0.545805 0.682162 ] [ 0.206282 0.454195 0.317838 ] [ 0.741691 0.448927 0.241689 ] [ 0.504424 0.650931 0.636461 ] [ 0.113732 0.708437 0.559178 ] [ 0.668865 0.701503 0.473562 ] [ 0.324646 0.635013 0.166453 ] [ 0.356726 0.865645 0.849401 ] [ 0.944693 0.639336 0.12403 ] [ 0.639132 0.720964 0.061888 ] [ 0.263956 0.850823 0.408074 ] [ 0.865878 0.863446 0.354489 ] [ 0.470743 0.933546 0.278643 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.34101086 "source-unit" "angstrom" } "b" { "source-value" 10.35410983 "source-unit" "angstrom" } "c" { "source-value" 11.33847462 "source-unit" "angstrom" } "alpha" { "source-value" 108.59932858 "source-unit" "degree" } "beta" { "source-value" 113.44722696 "source-unit" "degree" } "gamma" { "source-value" 89.0742694 "source-unit" "degree" } }