{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "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" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.5774 0 0 ] "si-unit" "m" "si-value" [ 1.05774e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.5435 9.41396 0 ] "si-unit" "m" "si-value" [ -5.543500000000001e-10 9.41396e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.064938 0.0467405 10.4512 ] "si-unit" "m" "si-value" [ 6.4938e-12 4.67405e-12 1.04512e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.236369 0.26893 0.312575 ] [ -0.468457 -0.0551533 2.71797 ] [ 0.155919 0.092588 5.15124 ] [ -0.018441 0.0929563 7.82273 ] [ -1.55477 1.97581 -0.267213 ] [ -1.04358 2.17509 2.21266 ] [ -1.40284 2.08288 5.10665 ] [ -1.53193 2.47262 7.67232 ] [ -2.52557 4.36371 -0.0687127 ] [ -2.63168 4.78588 2.11088 ] [ -2.8285 4.66387 4.81651 ] [ -2.43747 4.62598 7.37597 ] [ -4.03263 6.85233 0.0129409 ] [ -3.84994 6.83623 2.55746 ] [ -3.98778 6.95546 5.08975 ] [ -4.04437 7.15345 7.98474 ] [ 2.7925 -0.150709 -0.236912 ] [ 2.52744 0.0585484 2.75097 ] [ 2.97937 0.0253826 4.99024 ] [ 2.79178 -0.125765 7.78546 ] [ 1.17257 2.07204 0.331708 ] [ 1.3094 2.34381 2.76563 ] [ 1.18538 2.29758 5.23355 ] [ 1.59625 2.2364 7.51626 ] [ 0.209736 4.7052 -0.38166 ] [ 0.0212178 4.79108 2.50518 ] [ 0.14278 4.68614 5.40679 ] [ 0.0689267 4.99276 7.69231 ] [ -1.30113 6.84139 -0.125401 ] [ -1.32129 6.9098 2.46812 ] [ -1.40757 6.90228 4.65006 ] [ -1.51326 6.89042 7.78065 ] [ 5.65863 -0.119012 -0.254989 ] [ 5.10197 -0.169957 2.56638 ] [ 5.09243 0.203313 5.33098 ] [ 5.4779 0.0404503 7.67487 ] [ 4.26427 2.43752 0.163886 ] [ 3.82857 2.25448 2.19664 ] [ 4.05658 2.33431 4.68086 ] [ 4.02669 2.41042 7.33784 ] [ 2.70197 4.51023 -0.181109 ] [ 2.69021 4.95442 2.77602 ] [ 2.76302 4.59982 5.27878 ] [ 2.51118 4.74862 7.54636 ] [ 1.32887 6.836 -0.11303 ] [ 1.20887 6.93781 2.26344 ] [ 1.34794 6.78344 4.99463 ] [ 1.1866 6.82578 7.72723 ] [ 7.89632 -0.0170417 0.0255252 ] [ 7.53531 0.00656563 2.93328 ] [ 7.75351 0.543148 5.15254 ] [ 7.57049 -0.0404042 7.95999 ] [ 6.60423 2.27111 -0.0474532 ] [ 6.37919 2.09166 2.92245 ] [ 6.73055 2.30287 5.30103 ] [ 6.58072 2.36604 7.68857 ] [ 5.17021 4.6802 0.219605 ] [ 5.33653 4.41662 2.44533 ] [ 5.28123 4.72183 5.09151 ] [ 4.95328 4.74786 7.55719 ] [ 4.06766 6.86832 -0.154912 ] [ 3.74255 7.04003 2.54371 ] [ 3.95151 7.01529 5.08037 ] [ 3.49217 7.04854 7.79727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.36369e-11 2.6893e-11 3.12575e-11 ] [ -4.6845700000000004e-11 -5.5153300000000005e-12 2.71797e-10 ] [ 1.55919e-11 9.258800000000001e-12 5.15124e-10 ] [ -1.8440999999999998e-12 9.29563e-12 7.822730000000001e-10 ] [ -1.5547700000000002e-10 1.97581e-10 -2.67213e-11 ] [ -1.04358e-10 2.17509e-10 2.2126600000000002e-10 ] [ -1.4028400000000001e-10 2.08288e-10 5.10665e-10 ] [ -1.5319300000000002e-10 2.47262e-10 7.672320000000001e-10 ] [ -2.5255700000000003e-10 4.36371e-10 -6.87127e-12 ] [ -2.6316799999999996e-10 4.78588e-10 2.11088e-10 ] [ -2.8285e-10 4.663870000000001e-10 4.81651e-10 ] [ -2.43747e-10 4.62598e-10 7.37597e-10 ] [ -4.0326300000000004e-10 6.85233e-10 1.29409e-12 ] [ -3.84994e-10 6.83623e-10 2.55746e-10 ] [ -3.9877800000000003e-10 6.955460000000001e-10 5.089750000000001e-10 ] [ -4.04437e-10 7.153450000000001e-10 7.984740000000001e-10 ] [ 2.7925e-10 -1.5070900000000002e-11 -2.3691200000000002e-11 ] [ 2.52744e-10 5.85484e-12 2.7509700000000004e-10 ] [ 2.97937e-10 2.53826e-12 4.99024e-10 ] [ 2.7917800000000005e-10 -1.2576499999999999e-11 7.78546e-10 ] [ 1.17257e-10 2.07204e-10 3.31708e-11 ] [ 1.3094e-10 2.34381e-10 2.76563e-10 ] [ 1.1853800000000002e-10 2.29758e-10 5.23355e-10 ] [ 1.59625e-10 2.2364000000000002e-10 7.51626e-10 ] [ 2.09736e-11 4.705199999999999e-10 -3.8166e-11 ] [ 2.12178e-12 4.79108e-10 2.50518e-10 ] [ 1.4278e-11 4.68614e-10 5.40679e-10 ] [ 6.89267e-12 4.99276e-10 7.69231e-10 ] [ -1.30113e-10 6.84139e-10 -1.2540100000000002e-11 ] [ -1.32129e-10 6.9098e-10 2.46812e-10 ] [ -1.4075700000000001e-10 6.902280000000001e-10 4.65006e-10 ] [ -1.51326e-10 6.89042e-10 7.780649999999999e-10 ] [ 5.65863e-10 -1.1901200000000002e-11 -2.5498900000000004e-11 ] [ 5.10197e-10 -1.69957e-11 2.5663800000000004e-10 ] [ 5.09243e-10 2.03313e-11 5.33098e-10 ] [ 5.4779e-10 4.04503e-12 7.674870000000001e-10 ] [ 4.2642699999999997e-10 2.4375200000000003e-10 1.63886e-11 ] [ 3.8285700000000004e-10 2.2544800000000002e-10 2.19664e-10 ] [ 4.0565800000000006e-10 2.33431e-10 4.680860000000001e-10 ] [ 4.0266900000000006e-10 2.41042e-10 7.337840000000001e-10 ] [ 2.7019700000000003e-10 4.5102300000000004e-10 -1.81109e-11 ] [ 2.6902100000000003e-10 4.95442e-10 2.77602e-10 ] [ 2.7630200000000003e-10 4.5998200000000007e-10 5.27878e-10 ] [ 2.51118e-10 4.74862e-10 7.546360000000001e-10 ] [ 1.32887e-10 6.836000000000001e-10 -1.1303e-11 ] [ 1.2088699999999998e-10 6.93781e-10 2.2634400000000003e-10 ] [ 1.34794e-10 6.78344e-10 4.99463e-10 ] [ 1.1866e-10 6.82578e-10 7.72723e-10 ] [ 7.89632e-10 -1.70417e-12 2.55252e-12 ] [ 7.53531e-10 6.565630000000001e-13 2.93328e-10 ] [ 7.75351e-10 5.4314799999999996e-11 5.15254e-10 ] [ 7.570490000000001e-10 -4.040420000000001e-12 7.95999e-10 ] [ 6.60423e-10 2.2711100000000004e-10 -4.74532e-12 ] [ 6.379190000000001e-10 2.09166e-10 2.92245e-10 ] [ 6.73055e-10 2.3028700000000001e-10 5.30103e-10 ] [ 6.580720000000001e-10 2.36604e-10 7.68857e-10 ] [ 5.17021e-10 4.6802e-10 2.19605e-11 ] [ 5.33653e-10 4.41662e-10 2.44533e-10 ] [ 5.28123e-10 4.72183e-10 5.091510000000001e-10 ] [ 4.953280000000001e-10 4.74786e-10 7.55719e-10 ] [ 4.06766e-10 6.86832e-10 -1.54912e-11 ] [ 3.74255e-10 7.04003e-10 2.54371e-10 ] [ 3.95151e-10 7.01529e-10 5.08037e-10 ] [ 3.4921700000000004e-10 7.04854e-10 7.79727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5384704 -4.3297443 -0.9200817 ] [ 0.2605089 -0.438201 -0.1539305 ] [ 0.1582433 -1.6274927 0.0277414 ] [ 0.5203542 -0.2468854 -0.2650084 ] [ 1.0597357 1.0312088 0.2696375 ] [ -1.0031163 1.0575171 1.18099 ] [ 2.6804279 2.8384451 -0.0788721 ] [ 0.6271972 -1.0078434 0.2861486 ] [ 0.4485384 -0.1758405 -1.6892007 ] [ -0.3311322 -0.3436265 2.0712058 ] [ 1.1303828 -0.1109199 1.0768322 ] [ -0.9710698 0.0752141 0.5645575 ] [ 0.7289351 0.2506059 -0.1746311 ] [ -0.5259316 0.6311603 -0.2228836 ] [ -0.0225739 0.6977718 0.4539826 ] [ -0.1892549 -0.215786 -0.8137715 ] [ 0.031451 -0.0469956 1.0630667 ] [ -0.7082494 -0.7150377 -1.3811628 ] [ -2.1429501 -1.018943 0.2488431 ] [ -0.147073 0.1957703 -0.2523341 ] [ 2.0274689 3.9537878 -1.4780938 ] [ 0.9430699 0.9744805 0.1282172 ] [ -0.6433547 0.816039 -0.4600246 ] [ -0.0885245 -0.4707034 1.4808474 ] [ -0.8663316 -0.5856658 1.4236428 ] [ 0.3986278 -0.9519758 -0.1995134 ] [ -0.7407845 -0.306672 -2.2189893 ] [ -1.3216966 -1.8569213 0.2109633 ] [ -0.5652176 0.447638 -0.5358756 ] [ 0.748209 0.4150922 -1.6275113 ] [ 0.0390246 -0.0907851 3.1864078 ] [ -0.352 0.8179221 -0.4592025 ] [ -1.939561 -0.6190053 1.243196 ] [ 0.1468341 0.1955965 -1.1418637 ] [ 1.6387938 -1.0102112 -0.611764 ] [ -2.6645634 -0.3795259 0.2226106 ] [ -0.2601549 -0.7455681 -3.9261852 ] [ -0.9401631 -0.6780556 3.1870052 ] [ -0.539937 0.9339597 1.6265015 ] [ 0.0668072 -0.0786971 1.1448747 ] [ -0.3948032 0.6173918 0.1048452 ] [ -0.3363813 -1.635714 -1.0904126 ] [ -0.0528542 -0.3512135 -2.190931 ] [ 0.1485886 -1.0445043 2.0657888 ] [ 0.361312 -0.1116513 -0.4897899 ] [ 0.2383177 0.6558921 1.6329825 ] [ -0.265341 0.3213081 0.6617116 ] [ 0.9980722 2.5256105 -0.5546023 ] [ -0.0322858 -0.7823503 0.0527405 ] [ 0.521514 -1.0286953 -1.7294982 ] [ 0.2270783 -5.9856267 1.085347 ] [ 3.1877666 0.3593968 -0.9378169 ] [ -0.3716648 0.30047 -0.0333692 ] [ 0.2155831 0.6071677 -1.7283956 ] [ -2.6542624 4.1977915 -0.6117759 ] [ -0.4667185 1.2481087 1.490742 ] [ 0.5214886 0.7709277 -1.9518549 ] [ 0.3400266 -0.1167951 1.1777229 ] [ 0.01514 0.6046653 -0.3744027 ] [ 1.3039448 -0.2383045 0.9104913 ] [ -1.4280366 0.3413832 0.1403596 ] [ 1.0702202 0.2299204 -0.7436872 ] [ 0.0127696 0.1376969 0.7562115 ] [ 1.688026 1.0960177 -0.1287785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4649013066728243e-09 -6.937015091502061e-09 -1.4741333889659193e-09 ] [ 4.173812690903251e-10 -7.020753974111808e-10 -2.466238483280544e-10 ] [ 2.5353371565824066e-10 -2.607530754462668e-09 4.444662250826112e-11 ] [ 8.336993337750873e-10 -3.9555401589685635e-10 -4.245902627956147e-10 ] [ 1.6978837627671228e-09 1.652178630523223e-09 4.3200689859095995e-10 ] [ -1.6071694838033993e-09 1.694329173716216e-09 1.892154567398592e-09 ] [ 4.2945189151200404e-09 4.5476903786443185e-09 -1.263670346533997e-10 ] [ 1.0048806904712218e-09 -1.614743132907583e-09 4.5846059699465087e-10 ] [ 7.186377380110387e-10 -2.817275380897824e-10 -2.7063978693789945e-09 ] [ -5.305322692340697e-10 -5.505503445873312e-10 3.3184375096253606e-09 ] [ 1.8110728947144424e-09 -1.7771327056147393e-10 1.7252753753646297e-09 ] [ -1.5558253307249319e-09 1.205062725745133e-10 9.045208275972961e-10 ] [ 1.1678827753005101e-09 4.0151491401454274e-10 -2.797898656845869e-10 ] [ -8.426353136599374e-10 1.0112302766371142e-09 -3.5709889307973885e-10 ] [ -3.6167374820277124e-11 1.1179536646135335e-09 7.273603079699982e-10 ] [ -3.032197761518419e-10 -3.457272842959488e-10 -1.3038056719733473e-09 ] [ 5.0390056900780804e-11 -7.529525160046848e-11 1.7032206130910075e-09 ] [ -1.1347406303756275e-09 -1.1456166859306043e-09 -2.2128667476786663e-09 ] [ -3.4333845497610223e-09 -1.6325266525278144e-09 3.986905970673965e-10 ] [ -2.356369221509184e-10 3.1365859770700225e-10 -4.042837956506093e-10 ] [ 3.2483632709790936e-09 6.334666376764267e-09 -2.368167329709431e-09 ] [ 1.510964545560194e-09 1.5612898745254945e-09 2.0542660022443776e-10 ] [ -1.0307678592217977e-09 1.307438607461011e-09 -7.370406591128718e-10 ] [ -1.418318842680096e-10 -7.541499828110708e-10 2.372579083252466e-09 ] [ -1.3880162353802572e-09 -9.383400523621287e-10 2.2809272105302506e-09 ] [ 6.386721415609383e-10 -1.5252333703273768e-09 -3.1965570501631873e-10 ] [ -1.1868676069510176e-09 -4.913427086539776e-10 -3.5552127782653577e-09 ] [ -2.1175913923108495e-09 -2.975115893525543e-09 3.3800046710681664e-10 ] [ -9.055784243846861e-10 7.171951381816704e-10 -8.585673579771725e-10 ] [ 1.1987629672721472e-09 6.650510183164378e-10 -2.6075605549478154e-09 ] [ 6.252430175607168e-11 -1.4545376473699009e-10 5.1051880814947625e-09 ] [ -5.639661705216e-10 1.3104556662556398e-09 -7.35723509712912e-10 ] [ -3.107519288815469e-09 -9.917558198112902e-10 1.9918195662720767e-09 ] [ 2.352541621562093e-10 3.1338013941030724e-10 -1.829467324280185e-09 ] [ 2.6256371126719913e-09 -1.6185367667103132e-09 -9.801539782470913e-10 ] [ -4.269101184119359e-09 -6.080675239680788e-10 3.566614988622605e-10 ] [ -4.1681409856656196e-10 -1.1945317790342764e-09 -6.290442136370973e-09 ] [ -1.5063073385588525e-09 -1.0863648299225165e-09 5.106145221808029e-09 ] [ -8.650744381048896e-10 1.4963683961093818e-09 2.6059426769961314e-09 ] [ 1.0703693394110976e-10 -1.260866537447597e-10 1.8342914780854136e-09 ] [ -6.325444568570266e-10 9.891707078336296e-10 1.6798052824310015e-10 ] [ -5.389422545343111e-10 -2.620702729115251e-09 -1.7470335747457423e-09 ] [ -8.468176355108736e-11 -5.627060586093408e-10 -3.5102584259859647e-09 ] [ 2.3806518103740285e-10 -1.6734803697850696e-09 3.3097585188704873e-09 ] [ 5.788856392144896e-10 -1.7888510254192703e-10 -7.847299268839699e-10 ] [ 3.818270472628282e-10 1.0508549883874158e-09 2.616326383675536e-09 ] [ -4.251231467396928e-10 5.147923258936685e-10 1.0601788552321612e-09 ] [ 1.5990879447104218e-09 4.0464740963469984e-09 -8.885708389019079e-10 ] [ -5.172755394382465e-11 -1.2534633599358664e-09 8.449959606930241e-11 ] [ 8.355575382198913e-10 -1.6481515595868424e-09 -2.7709615817556827e-09 ] [ 3.6381954335100866e-10 -9.590031159576256e-09 1.7389175888554178e-09 ] [ 5.107365119087105e-09 5.758171505503335e-10 -1.5025483117711315e-09 ] [ -5.954726533343079e-10 4.814060092517761e-10 -5.346335209479936e-11 ] [ 3.454022026595885e-10 9.727898938449082e-10 -2.7691950218135886e-09 ] [ -4.2525971627484976e-09 6.725603400292964e-09 -9.801730441488789e-10 ] [ -7.477654691948448e-10 1.999690579357081e-09 2.3884319800446338e-09 ] [ 8.355168429337228e-10 1.2351623372671162e-09 -3.127216287973922e-09 ] [ 5.447826689701134e-10 -1.8712637864399807e-10 1.8869200961607764e-09 ] [ 2.4256954038912002e-11 9.687806070690181e-10 -5.998592527043962e-10 ] [ 2.089149873373732e-09 -3.818058985314336e-10 1.458767874301799e-09 ] [ -2.2879668541667215e-09 5.469561817738906e-10 2.2488086962483968e-10 ] [ 1.7146817835479003e-09 3.6837308952498435e-10 -1.1915182450282139e-09 ] [ 2.0459154576967682e-11 2.2061475393663555e-10 1.2115843856800993e-09 ] [ 2.704515792502541e-09 1.7560139349229881e-09 -2.063259019616928e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -107.15933431020756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.716881801323059e-17 } }