{ "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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-1.3765847 0.2486205 ] [ 6.021378 0.0540101 1.552922 ] [ 0.5956803 -0.2743226 -1.3014689 ] [ 2.6316496 -0.6754727 2.194441 ] [ -0.3237198 -0.336753 -1.7855383 ] [ 0.6465032 0.1404676 2.3205405 ] [ 1.1988853 -0.1255504 -2.4641265 ] [ 1.9649962 7.0232458 1.0423568 ] [ 0.0648206 -0.7122511 0.4801863 ] [ 0.4146775 0.3000901 -0.9741715 ] [ 3.3940327 4.925576 -2.1067682 ] [ -1.3776767 0.7584059 -0.6560844 ] [ 2.7192179 1.5361484 0.1227021 ] [ 3.5059441 -0.1987347 1.3086639 ] [ 1.1204366 0.4980512 -0.1743343 ] [ -0.0303418 -2.0919179 0.0879808 ] [ 2.9099979 -2.5831985 -3.3212861 ] [ -1.1875808 -0.3593143 4.2906658 ] [ -0.8241042 -0.6341943 -0.4596434 ] [ -6.401803 -0.8030675 -0.0782158 ] [ -0.6444315 3.8430917 -0.8856814 ] [ -3.0160786 0.2204381 1.468991 ] [ -0.1068238 0.3912642 -0.5467901 ] [ 0.7209148 -1.2822411 0.3518512 ] [ 0.0286792 -0.1148309 0.3887649 ] [ -0.153301 0.2834637 -20.4639697 ] [ 0.7145975 -1.3575245 19.9981867 ] [ 2.3092452 -0.4356876 -0.5233277 ] [ 1.3551766 1.2913079 0.319272 ] [ -0.5001648 0.8967267 -3.6260868 ] [ -0.4032085 0.3932108 3.5965146 ] [ -0.7222395 0.2778458 0.2886208 ] [ 0.6312381 -0.1967874 0.5436875 ] [ 1.5247032 -0.191864 -0.0843754 ] [ 2.939887 -1.8150887 -0.2697862 ] [ 5.4847192 -0.1755703 0.7242257 ] [ 2.0532486 1.6143204 -4.6898285 ] [ 1.4909314 0.9637033 3.6766071 ] [ 0.2287263 1.8953773 -0.0044172 ] [ -0.0580893 4.3103308 1.5765306 ] [ 1.0686994 0.090774 0.8806746 ] [ -0.3861459 -0.6890504 -0.6960862 ] [ -0.391301 0.880049 -0.8055184 ] [ -2.3391268 -1.9249329 -2.6306695 ] [ -0.9774474 -0.472198 2.0270471 ] [ -0.0548167 1.5744249 0.8389477 ] [ -0.6502005 -0.3456147 -0.5076363 ] [ -0.1662949 -0.2933586 -0.681802 ] [ -2.4404255 -0.257494 -6.0570696 ] [ -4.9784446 -0.0904205 5.8065876 ] [ -1.5082263 0.1817585 0.1093656 ] [ -3.6125742 -5.1177751 1.7054019 ] [ -1.1025861 -0.8674568 0.9318684 ] [ -0.289618 -2.0972404 -1.0134732 ] [ -4.3590089 -6.1940126 -0.2666588 ] [ -0.6742022 -0.0650298 -0.6384927 ] [ -1.0581893 -1.0930072 -1.6761408 ] [ -0.6094007 -1.8461205 1.7447861 ] [ -0.8359264 -0.3248354 0.0245602 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 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