{ "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" [ [ 0.776298 0.263137 0.271043 ] [ 0.010982 0.018192 0.262886 ] [ 0.223702 0.736863 0.728957 ] [ 0.989018 0.981808 0.737114 ] [ 0.442022 0.193874 0.916374 ] [ 0.557978 0.806126 0.083626 ] [ 0.499014 0.51339 0.269185 ] [ 0.253581 0.746185 0.25963 ] [ 0.500986 0.48661 0.730815 ] [ 0.746419 0.253815 0.74037 ] [ 0.935869 0.686976 0.346004 ] [ 0.064131 0.313024 0.653996 ] [ 0.439122 0.187682 0.346412 ] [ 0.560878 0.812318 0.653588 ] [ 0.805831 0.555489 0.581398 ] [ 0.306069 0.056425 0.580896 ] [ 0.194169 0.444511 0.418602 ] [ 0.693931 0.943575 0.419104 ] [ 0.761837 0.51197 0.064264 ] [ 0.238163 0.48803 0.935736 ] [ 0.264825 0.014269 0.064428 ] [ 0.735175 0.985731 0.935572 ] [ 0.816355 0.069124 0.078303 ] [ 0.771396 0.83544 0.318545 ] [ 0.159647 0.911122 0.430344 ] [ 0.064857 0.312932 0.455014 ] [ 0.935143 0.687068 0.544986 ] [ 0.840353 0.088878 0.569656 ] [ 0.913607 0.474691 0.676316 ] [ 0.228604 0.16456 0.681455 ] [ 0.411712 0.977947 0.681478 ] [ 0.783421 0.03433 0.83931 ] [ 0.289838 0.539101 0.840641 ] [ 0.097293 0.345521 0.875389 ] [ 0.590866 0.843627 0.876021 ] [ 0.183645 0.930876 0.921697 ] [ 0.327055 0.574182 0.078304 ] [ 0.902707 0.654479 0.124611 ] [ 0.409134 0.156373 0.123979 ] [ 0.216579 0.96567 0.16069 ] [ 0.710162 0.460899 0.159359 ] [ 0.086393 0.525309 0.323684 ] [ 0.276293 0.339022 0.323679 ] [ 0.588288 0.022053 0.318522 ] [ 0.660652 0.40924 0.428871 ] [ 0.562145 0.813945 0.453408 ] [ 0.437855 0.186055 0.546592 ] [ 0.339348 0.59076 0.571129 ] [ 0.723707 0.660978 0.676321 ] [ 0.672945 0.425818 0.921696 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "C" "C" "C" "C" "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" 8.43855891 "source-unit" "angstrom" } "b" { "source-value" 8.44879777 "source-unit" "angstrom" } "c" { "source-value" 10.11685453 "source-unit" "angstrom" } "alpha" { "source-value" 107.56285769 "source-unit" "degree" } "beta" { "source-value" 107.47965135 "source-unit" "degree" } "gamma" { "source-value" 103.89344244 "source-unit" "degree" } }