{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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0.2990185 ] [ 2.8315667 -0.5249165 2.3926506 ] [ 0.5648173 -0.3507408 -0.8566094 ] [ 1.1419519 -0.3677886 1.1340477 ] [ 0.1360679 0.0964817 -0.7742022 ] [ 0.3374523 -0.0094838 1.1051165 ] [ 1.1821869 -0.7372835 -1.4480627 ] [ 1.4413258 3.287884 0.8202129 ] [ 0.3718044 -0.6231295 0.3500451 ] [ -0.0004 0.3675298 0.7080247 ] [ 1.4146728 2.9897888 -0.65924 ] [ -0.5191475 0.6027543 -0.5924976 ] [ 2.0192955 1.1213718 0.0928603 ] [ 2.3242259 -0.141347 0.2357333 ] [ 0.718669 0.5483993 0.2588562 ] [ 0.2902575 -1.4809878 -0.1044345 ] [ 1.8554129 -1.540719 -2.6124804 ] [ -0.3564248 -0.879169 3.7854333 ] [ -0.7625895 -0.3235946 -1.0521152 ] [ -3.6577238 -0.2655335 0.0003701 ] [ -0.6245944 3.0191182 -1.1350704 ] [ -1.7268065 0.0080077 1.486575 ] [ -0.5240507 0.3272715 -0.6258154 ] [ 0.754277 -0.891531 0.0326864 ] [ -0.4088217 -0.2878891 0.4180796 ] [ 0.3695779 -0.1501531 -8.6013597 ] [ 0.0965999 -0.4433533 8.8150425 ] [ 1.0483148 0.49274 -0.7849191 ] [ 0.5873108 0.4402408 0.5320449 ] [ -1.3205153 1.0021886 -3.0893574 ] [ 0.1705742 0.0146379 2.4059757 ] [ -0.8124775 0.0632977 0.6183059 ] [ 0.3673994 -0.1080043 -0.0029957 ] [ 0.7557669 -0.0681221 0.5282355 ] [ 1.7534172 -1.8149872 -0.2554152 ] [ 3.5232024 0.3291845 0.3583763 ] [ 1.9138497 0.3713426 -3.479331 ] [ 0.2957773 1.2126809 2.8190302 ] [ 0.3659625 1.2915452 -0.5542214 ] [ -0.2296334 2.2237411 0.7600666 ] [ 0.1653398 0.2008538 0.9535089 ] [ 0.2242748 0.0845198 -0.0058998 ] [ -0.5181799 0.0239592 0.6563718 ] [ -1.4839207 -1.1613389 -2.3378192 ] [ -0.5057271 -0.5151177 0.6210942 ] [ -0.3704556 1.5369577 0.6900223 ] [ -0.1297522 -0.4823752 -0.5687035 ] [ -0.1775581 -0.0892835 -1.0119828 ] [ -1.474079 -0.0325201 -2.958154 ] [ -3.2177108 0.0591634 2.6914377 ] [ -0.8365034 0.5575091 -0.367475 ] [ -2.6934609 -3.2165174 0.5734022 ] [ 0.0510824 -0.7982958 0.0658405 ] [ 0.3093178 -1.3029748 -0.4616104 ] [ -2.0750468 -3.2977643 -1.1118166 ] [ -0.6183844 -0.0980661 -0.7158217 ] [ -0.608817 -0.7263065 -0.8821465 ] [ -0.2456746 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4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.284559324760883e-17 "source-value" -205.00607 } }