{ "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" [ [ 0.002343 0.004317 0.498254 ] [ 0.001079 0.995245 0.001432 ] [ 0.038301 0.459291 0.370987 ] [ 0.271721 0.388287 0.398538 ] [ 0.808997 0.730087 0.292142 ] [ 0.719521 0.614686 0.405351 ] [ 0.60902 0.283861 0.39982 ] [ 0.553041 0.039409 0.36876 ] [ 0.25619 0.789823 0.29408 ] [ 0.390597 0.723781 0.406963 ] [ 0.881399 0.294087 0.790544 ] [ 0.732196 0.390749 0.889389 ] [ 0.041934 0.555595 0.878214 ] [ 0.279989 0.613892 0.893592 ] [ 0.401538 0.032065 0.934003 ] [ 0.388861 0.273532 0.893378 ] [ 0.612467 0.964977 0.833344 ] [ 0.612869 0.725251 0.891984 ] [ 0.89975 0.699806 0.705435 ] [ 0.729474 0.60266 0.610231 ] [ 0.049899 0.441043 0.623356 ] [ 0.279073 0.356634 0.624173 ] [ 0.392247 0.722718 0.61605 ] [ 0.303245 0.901575 0.707036 ] [ 0.599019 0.024464 0.639028 ] [ 0.625981 0.271819 0.613201 ] [ 0.051054 0.563419 0.130998 ] [ 0.285446 0.616856 0.10512 ] [ 0.730533 0.394468 0.108335 ] [ 0.88988 0.307538 0.210075 ] [ 0.61618 0.96684 0.156957 ] [ 0.623468 0.724398 0.110382 ] [ 0.318608 0.115612 0.20623 ] [ 0.394968 0.275704 0.105843 ] [ 0.506728 0.51257 0.450117 ] [ 0.508759 0.498106 0.933775 ] [ 0.51485 0.503637 0.579707 ] [ 0.50876 0.499141 0.063876 ] [ 0.132362 0.330711 0.370059 ] [ 0.852406 0.674569 0.369624 ] [ 0.669501 0.144069 0.367852 ] [ 0.314482 0.853547 0.367077 ] [ 0.876479 0.331487 0.873399 ] [ 0.139578 0.681008 0.873741 ] [ 0.328276 0.122209 0.875916 ] [ 0.702895 0.853455 0.86861 ] [ 0.880567 0.664717 0.622783 ] [ 0.134598 0.306988 0.636205 ] [ 0.334648 0.877 0.625385 ] [ 0.70798 0.137483 0.638547 ] [ 0.154321 0.683996 0.135966 ] [ 0.877127 0.334513 0.126386 ] [ 0.7144 0.847503 0.143483 ] [ 0.336948 0.124646 0.122524 ] ] } "species" { "source-value" [ "Sr" "Sr" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.40791603833 "source-unit" "angstrom" } "b" { "source-value" 6.13050050261 "source-unit" "angstrom" } "c" { "source-value" 11.5511731925 "source-unit" "angstrom" } "alpha" { "source-value" 90.3397809917 "source-unit" "degree" } "beta" { "source-value" 92.0679883009 "source-unit" "degree" } "gamma" { "source-value" 89.9987083054 "source-unit" "degree" } }