{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05393e-09 0.0 0.0 ] "source-value" [ 10.5393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] "source-value" [ -5.43887 9.05087 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] "source-value" [ -0.143218 -0.114794 10.5272 ] } "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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] [ -4.4230174 -2.7779892 -0.7267604 ] [ -2.3427353 -3.6727064 0.697806 ] [ 3.5827917 -1.7734381 -0.9571595 ] [ -2.2918422 -0.4327744 2.26421 ] [ 0.8994723 2.6405474 1.5154304 ] [ -0.6109561 -12.057345 -1.4808843 ] [ -0.2487257 1.7536423 -4.2361224 ] [ 0.3503682 -2.6847015 2.0092338 ] [ 1.7241677 -3.0126215 2.6330719 ] [ 11.3210365 -3.2071649 0.1759023 ] [ -6.068654 -10.9375703 0.4866174 ] [ -1.0266315 0.294396 -0.3759272 ] [ 2.1954604 -4.2668788 0.275358 ] [ 3.5221689 3.933757 -0.4838719 ] [ -4.5198649 5.504179 -1.4318772 ] [ 5.3974348 5.0479949 1.7916817 ] [ 2.4077475 3.878339 -2.44892 ] [ 3.7791311 -3.7313882 0.5534473 ] [ 4.9377884 -4.1435126 1.2704881 ] [ 2.7535241 -1.2958999 -0.4511715 ] [ 1.9253386 2.1215037 -1.7645024 ] [ -6.843049 -1.2749931 1.1102003 ] [ -0.0443502 4.2480502 -3.6761985 ] [ -0.5340077 0.9313191 0.0604027 ] [ -1.7205227 7.0226668 5.8495909 ] [ 4.279555 7.8679022 -1.8187227 ] [ 6.2745579 0.4050414 2.7358646 ] [ -8.2386923 0.6623967 2.2501619 ] [ -6.7900842 -1.6317871 0.3781733 ] [ -0.6177537 5.9748472 -2.116019 ] [ 3.9683008 6.6967164 -0.3238484 ] [ -1.9175418 -7.39354 -4.7322401 ] [ -1.6845373 -2.4841341 4.623253 ] [ 0.0009157 -1.0594602 -0.1643297 ] [ 0.8400936 3.2082391 1.7314483 ] [ 1.7408015 -0.013643 -0.1189484 ] [ 2.6530725 -7.7752218 1.0976208 ] [ 5.0390067 4.9077528 0.0515432 ] [ -0.9396861 0.8666483 1.9265686 ] [ -3.1606598 -0.010409400000000004 -3.0119661 ] [ -2.6879613 6.6719177 1.4875391 ] [ 8.9640501 0.0769331 -3.0741351 ] [ -8.3712448 3.8389699 0.3087886 ] [ 10.0100304 -2.696036 -9.4563543 ] [ 4.5492862 0.4951421 10.4015692 ] [ -2.5445939 2.8041621 -0.7836623 ] [ 0.2755319 -0.0276669 -0.5398907 ] [ -1.3042083 2.0032762 -1.0916106 ] [ -0.9752994 -4.6932297 1.7547974 ] [ -3.9423917 -0.0566225 0.3588762 ] [ -1.2363406 -1.1388765 -0.9186923 ] [ 1.3734651 7.8253212 1.5025284 ] [ 4.5263577 -2.6099265 -1.3023986 ] [ -0.0984097 -0.5416176 0.2593767 ] [ -5.0826842 -5.5349156 2.7625578 ] [ -0.623382 -5.0173783 -0.5458136 ] [ -5.4068202 4.2003589 0.3003224 ] [ -5.9392517 -3.6231771 0.1578882 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.94125e-12 -1.32091e-11 -1.11737e-11 ] [ -1.84353e-11 4.30984e-13 2.1810200000000002e-10 ] [ -1.1482000000000001e-11 3.8029400000000006e-11 5.25782e-10 ] [ -2.44788e-11 1.40152e-12 7.75205e-10 ] [ -1.34009e-10 2.2554699999999999e-10 9.20874e-13 ] [ -1.26592e-10 1.82964e-10 2.63403e-10 ] [ -1.6022000000000002e-10 2.11686e-10 4.861060000000001e-10 ] [ -1.6679600000000003e-10 2.1917900000000003e-10 8.112510000000001e-10 ] [ -2.4686e-10 4.6549500000000006e-10 -3.9812500000000003e-13 ] [ -2.7623700000000005e-10 4.7379e-10 2.1480500000000001e-10 ] [ -2.48563e-10 4.61278e-10 5.50478e-10 ] [ -2.70397e-10 4.5148000000000003e-10 8.08626e-10 ] [ -3.98412e-10 6.86221e-10 -4.28531e-12 ] [ -3.96331e-10 6.85194e-10 2.77309e-10 ] [ -4.2696e-10 6.9471e-10 5.55519e-10 ] [ -4.05263e-10 6.79882e-10 8.03872e-10 ] [ 2.63278e-10 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7.90902 ] [ 6.65304 2.20705 0.62969 ] [ 6.29274 2.1576 3.08819 ] [ 6.49406 2.29964 5.35531 ] [ 6.70652 2.22379 8.00048 ] [ 5.25236 4.63023 0.1322 ] [ 5.22305 4.62625 2.83966 ] [ 5.1632 4.60289 5.34535 ] [ 5.21651 4.83651 7.70287 ] [ 3.80398 6.65708 0.438012 ] [ 3.65432 7.1927 2.95946 ] [ 3.66801 6.95499 5.4583 ] [ 3.73246 6.78356 8.0622 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.748702842229511e-17 "source-value" -233.97563 } }