{ "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" [ [ 0.257062 0.895349 0.085538 ] [ 0.742938 0.104651 0.914462 ] [ 0.764569 0.701976 0.259362 ] [ 0.235431 0.298024 0.740638 ] [ 0.74986 0.597402 0.592309 ] [ 0.25014 0.402598 0.407691 ] [ 0.228847 0.825733 0.763976 ] [ 0.771153 0.174267 0.236024 ] [ 0.785285 0.49565 0.820773 ] [ 0.214715 0.50435 0.179227 ] [ 0.198784 0.754699 0.480999 ] [ 0.801216 0.245301 0.519001 ] [ 0.698048 0.753384 0.97293 ] [ 0.301952 0.246616 0.02707 ] [ 0.295082 0.000926 0.319507 ] [ 0.704918 0.999074 0.680493 ] [ 0.703128 0.577584 0.926497 ] [ 0.296872 0.422416 0.073503 ] [ 0.953387 0.853178 0.952461 ] [ 0.046613 0.146822 0.047539 ] [ 0.550217 0.48391 0.737808 ] [ 0.449783 0.51609 0.262192 ] [ 0.4401 0.650859 0.475564 ] [ 0.5599 0.349141 0.524436 ] [ 0.244891 0.927575 0.431782 ] [ 0.755109 0.072425 0.568218 ] [ 0.098211 0.772228 0.595687 ] [ 0.901789 0.227772 0.404313 ] [ 0.89473 0.325633 0.842896 ] [ 0.10527 0.674367 0.157104 ] [ 0.621599 0.753071 0.091755 ] [ 0.378401 0.246929 0.908245 ] [ 0.018582 0.353938 0.582771 ] [ 0.981418 0.646062 0.417229 ] [ 0.520354 0.140881 0.081845 ] [ 0.479646 0.859119 0.918155 ] [ 0.48498 0.084504 0.738809 ] [ 0.51502 0.915496 0.261191 ] [ 0.609148 0.816796 0.677744 ] [ 0.390852 0.183204 0.322256 ] [ 0.95636 0.02825 0.755347 ] [ 0.04364 0.97175 0.244653 ] [ 0.993907 0.408928 0.236354 ] [ 0.006093 0.591072 0.763646 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 5.47479361589 "source-unit" "angstrom" } "b" { "source-value" 8.61160269491 "source-unit" "angstrom" } "c" { "source-value" 13.0801073531 "source-unit" "angstrom" } "alpha" { "source-value" 90.4647566977 "source-unit" "degree" } "beta" { "source-value" 92.3904999909 "source-unit" "degree" } "gamma" { "source-value" 92.5104334761 "source-unit" "degree" } }