{ "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" [ [ -2.6156613 -9.2356112 -1.6647814 ] [ -1.1905532 -2.2132297 0.0862837 ] [ 1.7646207 -3.2015992 0.4109399 ] [ 1.1002558 -1.8467493 -0.1831164 ] [ 3.6214405 2.4878017 -0.4782241 ] [ -2.0458415 4.3184158 2.4322275 ] [ 5.5687539 5.0291825 -0.3334278 ] [ 2.2856371 -3.795467 0.0060067 ] [ 1.3204882 1.021232 -2.4727066 ] [ 0.5058591 -0.9660399 3.8337128 ] [ 1.2115411 0.0690686 0.1019899 ] [ -1.1761793 0.4594951 -1.5196196 ] [ 1.3632024 -0.0077911 -0.1487927 ] [ -0.7512036 1.5679037 -0.0951142 ] [ -0.1708788 1.5440959 2.0982741 ] [ -3.0319685 -0.3002208 -2.3735506 ] [ 0.3735719 0.2021158 0.7230806 ] [ -0.2806118 -1.0895291 -1.9641322 ] [ -7.3340258 -3.0855152 2.8593136 ] [ -0.6184859 1.6269784 -1.8358186 ] [ 5.2341331 8.1680015 -1.8884657 ] [ 1.6113449 2.2189597 -0.2139959 ] [ 0.0942247 1.9971247 -1.2044042 ] [ -0.5811495 -0.6727753 1.5647488 ] [ -2.040212 -3.2291094 1.8856306 ] [ -0.2431416 -4.2443335 0.1891048 ] [ -0.9439598 0.0309122 -3.0516275 ] [ -3.8714832 -5.4342655 0.9391519 ] [ -0.7975763 1.5872344 0.0616835 ] [ -0.3803821 0.3248473 -4.0838576 ] [ 0.9964475 -0.2978752 4.5174319 ] [ -0.081746 1.1950932 0.503324 ] [ -7.1817027 -1.8939307 2.1105065 ] [ -0.5586808 1.0532354 -0.9028979 ] [ 7.4117333 -0.3136852 -1.2549043 ] [ -8.3465471 1.0221507 0.2396419 ] [ -1.7784189 0.425608 -5.6561048 ] [ -0.2506677 -1.8985573 5.4184329 ] [ -0.5804744 1.5378399 1.355456 ] [ 0.597376 -1.4582048 -0.3999677 ] [ 0.1368039 -0.4389986 -1.2556684 ] [ -0.4448036 -2.0575311 0.771436 ] [ -0.9138629 -0.5308521 -3.1666465 ] [ 0.1979141 -2.3469238 3.9443996 ] [ 1.5400395 2.1890749 -1.0733078 ] [ 0.4452841 2.3213393 1.9308698 ] [ -0.7398937 0.8005607 -0.2319375 ] [ -0.3707171 6.5042043 -0.6214046 ] [ 1.8202755 -2.496654 0.8674779 ] [ 1.4087825 -1.8068135 -2.0060931 ] [ -1.0681494 -12.742806 1.8409286 ] [ 8.5991885 -1.1409396 -0.6431197 ] [ 0.0228657 0.2199886 -1.3961866 ] [ -0.5557948 1.2757843 -1.5931227 ] [ -6.0740227 8.1097585 0.1709829 ] [ -0.8127184 1.6428287 2.3469964 ] [ 1.3261175 0.0450745 -2.7248213 ] [ 0.2665054 0.7862537 3.4673559 ] [ -0.1228699 0.1412416 -0.4470904 ] [ 2.7836651 2.2321292 0.4506405 ] [ -1.6338635 0.116683 0.6035345 ] [ 0.8010128 0.9498818 -1.2075772 ] [ 0.8331292 0.886836 0.7132299 ] [ 4.3460338 2.6370727 -0.3523081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.190751382791336e-09 -1.4797080343438633e-08 -2.6672738378226933e-09 ] [ -1.907476502858627e-09 -3.5459848818001977e-09 1.3824172689612098e-10 ] [ 2.8272340301197306e-09 -5.129527387411984e-09 6.5839830033389e-10 ] [ 1.7628041196596008e-09 -2.9588185529387654e-09 -2.9338481496506115e-10 ] [ 5.8021873027182625e-09 3.9858977209264955e-09 -7.661994725231213e-10 ] [ -3.2777994211624033e-09 6.918864833653329e-09 3.896858036966833e-09 ] [ 8.922127305568821e-09 8.057638623236497e-09 -5.342102258847783e-10 ] [ 3.661994325253112e-09 -6.081008492417914e-09 9.62379430815936e-12 ] [ 2.1156553220822745e-09 1.6361940348128256e-09 -3.961712704617858e-09 ] [ 8.104756234389293e-10 -1.54776654253997e-09 6.142285019021706e-09 ] [ 1.941102825558315e-09 1.1066009615138687e-10 1.634058333377299e-10 ] [ -1.8844469763289094e-09 7.361923065921581e-10 -2.4346989956294477e-09 ] [ 2.18409101469845e-09 -1.248271827031488e-11 -2.383921852857082e-10 ] [ -1.203560845380795e-09 2.5120586518058173e-09 -1.5238974754609535e-10 ] [ -2.7377801835035906e-10 2.473914351253135e-09 3.361805707050161e-09 ] [ -4.8577490457020454e-09 -4.810067468378726e-10 -3.802847279605813e-09 ] [ 5.985281643678356e-10 3.2382520945428865e-10 1.1585028322740364e-09 ] [ -4.495896654806055e-10 -1.7456180517012655e-09 -3.14688669100047e-09 ] [ -1.1750404673104017e-08 -4.943540316563036e-09 4.581125401455483e-09 ] [ -9.909236492744469e-10 2.606706755026591e-09 -2.941305640949787e-09 ] [ 8.386005682975428e-09 1.3086581041959333e-08 -3.0256555937227066e-09 ] [ 2.581659126825314e-09 3.555165353837382e-09 -3.428592279270547e-10 ] [ 1.5096461144189376e-10 3.199746503162214e-09 -1.9296682512333274e-09 ] [ -9.311041420896097e-10 -1.0779048567117061e-09 2.507003944784855e-09 ] [ -3.2687799678756096e-09 -5.1736035866855155e-09 3.0211132627850768e-09 ] [ -3.895557870639053e-10 -6.800171904578237e-09 3.0297928944105986e-10 ] [ -1.5123903225350438e-09 4.952680413749376e-11 -4.889246235890352e-09 ] [ -6.202799870859971e-09 -8.706653135320023e-09 1.5046872175598996e-09 ] [ -1.2778581011641672e-09 2.5430298474095156e-09 9.882786158911681e-11 ] [ -6.094393075908077e-10 5.204627493900039e-10 -6.5430611693963984e-09 ] [ 1.5964848883546082e-09 -4.772486813561241e-10 7.237723776236124e-09 ] [ -1.309715300439168e-10 1.914750384717059e-09 8.064139454875392e-10 ] [ -1.1506356163476235e-08 -3.0344114889553787e-09 3.3814041723464356e-09 ] [ -8.951053162498407e-10 1.6874691340789362e-09 -1.4466019063494164e-09 ] [ 1.1874905812864833e-08 -5.025790937309722e-10 -2.0105783308013896e-09 ] [ -1.337264262802604e-08 1.6376659544743547e-09 3.8394864954409153e-10 ] [ -2.8493411835688533e-09 6.818991872254464e-10 -9.062078875354659e-09 ] [ -4.016139285297082e-10 -3.041824119309172e-09 8.681286513753544e-09 ] [ -9.300225126529075e-10 2.46389113431341e-09 2.171679913723085e-09 ] [ 9.571018610270208e-10 -2.33630163889834e-09 -6.408188980151482e-10 ] [ 2.1918401021426114e-10 -7.033532934839309e-10 -2.011802553957343e-09 ] [ -7.12653928767675e-10 -3.296528224988907e-09 1.2359767236434688e-09 ] [ -1.4641697729964884e-09 -8.505188237225838e-10 -5.073526988638148e-09 ] [ 3.170933439466733e-10 -3.760186443159095e-09 6.3196248222128724e-09 ] [ 2.4674152820085217e-09 3.507284625960098e-09 -1.7196286640822823e-09 ] [ 7.134237746339693e-10 3.7191955554042377e-09 3.0935944513687718e-09 ] [ -1.185440388017209e-09 1.2826396370712825e-09 -3.716048399868e-10 ] [ -5.939542705507757e-10 1.0420884066366829e-08 -9.955999221775757e-10 ] [ 2.9164028495150303e-09 -4.000080669026803e-09 1.3898528104406805e-09 ] [ 2.2571183852921762e-09 -2.894834347845821e-09 -3.214115463968197e-09 ] [ -1.7113639962015475e-09 -2.0416225856589965e-08 2.949492763482075e-09 ] [ 1.3777418772552223e-08 -1.8279867528649039e-09 -1.0303913477159097e-09 ] [ 3.663488995822656e-11 3.524605917625229e-10 -2.2369375287942415e-09 ] [ -8.904814345222119e-10 2.0440317786436936e-09 -2.552463944005772e-09 ] [ -9.731657164148494e-09 1.2993265469034076e-08 2.7394480493658434e-10 ] [ -1.3021184197739827e-09 2.632101735119257e-09 3.7603027611817655e-09 ] [ 2.124674454933744e-09 7.221731009424961e-11 -4.365644982717863e-09 ] [ 4.2698872119695235e-10 1.2597172961574971e-09 5.5553165589729425e-09 ] [ -1.9685928118003395e-10 2.2629398940438528e-10 -7.163177862641204e-10 ] [ 4.459923143356894e-09 3.5762652188450076e-09 7.220056734856224e-10 ] [ -2.617737901278461e-09 1.869467746448064e-10 9.669688657462177e-10 ] [ 1.2833639811215462e-09 1.5218784124834215e-09 -1.9347519576511257e-09 ] [ 1.3348201263458073e-09 1.4208679056837888e-09 1.1427202710355219e-09 ] [ 6.9631137475665834e-09 4.225056227289932e-09 -5.644598011384685e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -229.95229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.684241829374217e-17 } }