{ "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" [ 10.4623 0 0 ] "si-unit" "m" "si-value" [ 1.04623e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.17702 9.10902 0 ] "si-unit" "m" "si-value" [ -5.17702e-10 9.109019999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.273433 0.71284 10.6008 ] "si-unit" "m" "si-value" [ -2.73433e-11 7.128400000000001e-11 1.06008e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0430826 0.115296 0.202802 ] [ -0.136623 0.0595937 3.05988 ] [ -0.303173 0.402205 4.89357 ] [ -0.0276834 0.334505 7.92467 ] [ -1.31707 2.22617 -0.102221 ] [ -1.2854 2.14432 2.82217 ] [ -1.38223 2.40391 4.88676 ] [ -1.52216 2.48021 7.77842 ] [ -2.6326 4.53463 0.181318 ] [ -2.52911 4.73367 2.17148 ] [ -2.70272 5.13572 5.29351 ] [ -2.79845 4.92805 7.71147 ] [ -3.84074 6.90959 0.133047 ] [ -4.02284 7.03418 2.36212 ] [ -3.94316 6.99519 4.93003 ] [ -3.82567 7.50166 7.75349 ] [ 2.80879 0.0390403 -0.289936 ] [ 2.50906 0.149879 2.92328 ] [ 2.47609 0.201173 5.15515 ] [ 2.39848 0.755178 7.96573 ] [ 1.30067 2.26939 -0.0162389 ] [ 1.3322 2.23612 2.56102 ] [ 1.43269 2.32698 5.33682 ] [ 0.997156 2.84236 7.7662 ] [ 0.335137 4.35968 -0.417904 ] [ -0.0835215 5.02199 2.22868 ] [ -0.0747447 4.77134 5.08816 ] [ -0.136421 4.86033 7.73109 ] [ -1.12424 6.89488 -0.0331194 ] [ -1.67836 7.07189 2.72226 ] [ -1.39063 6.95309 5.06575 ] [ -1.54387 7.49711 7.4399 ] [ 5.1208 -0.138776 0.333694 ] [ 5.30155 0.134077 2.4594 ] [ 5.27699 0.00484285 4.9212 ] [ 4.85928 0.233865 7.63149 ] [ 3.97831 2.27292 -0.000362991 ] [ 3.94969 2.3684 2.5422 ] [ 3.84843 2.64726 5.29769 ] [ 3.63978 2.5476 7.93726 ] [ 2.87518 4.1926 -0.107875 ] [ 2.32498 4.73478 2.67503 ] [ 2.54136 4.68928 4.67454 ] [ 2.25924 4.7252 7.75096 ] [ 1.06839 6.97292 -0.00496059 ] [ 1.32109 7.03447 2.67824 ] [ 1.24084 7.04082 5.05633 ] [ 1.38535 6.77454 7.91628 ] [ 8.05661 0.321403 -0.170494 ] [ 7.81102 0.0822359 2.86153 ] [ 7.82491 0.192494 5.73545 ] [ 7.56629 0.435652 7.81187 ] [ 6.5856 2.29276 0.0590417 ] [ 6.6217 2.25416 3.01817 ] [ 6.54816 2.54821 5.14252 ] [ 6.36274 2.84257 8.10785 ] [ 4.9263 4.65842 0.264935 ] [ 5.31998 4.33999 2.89505 ] [ 4.93083 4.73588 5.44301 ] [ 4.88796 4.45959 7.8083 ] [ 3.90175 6.71856 0.0507464 ] [ 3.88371 7.02909 2.28992 ] [ 3.98695 6.94934 4.69665 ] [ 3.91958 7.1469 7.65695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.30826e-12 1.15296e-11 2.0280200000000002e-11 ] [ -1.36623e-11 5.95937e-12 3.0598800000000003e-10 ] [ -3.0317300000000004e-11 4.02205e-11 4.89357e-10 ] [ -2.7683400000000003e-12 3.34505e-11 7.92467e-10 ] [ -1.31707e-10 2.2261700000000003e-10 -1.02221e-11 ] [ -1.2854e-10 2.1443200000000002e-10 2.82217e-10 ] [ -1.3822300000000001e-10 2.4039100000000004e-10 4.88676e-10 ] [ -1.52216e-10 2.48021e-10 7.77842e-10 ] [ -2.6326000000000003e-10 4.5346300000000003e-10 1.81318e-11 ] [ -2.52911e-10 4.733670000000001e-10 2.17148e-10 ] [ -2.70272e-10 5.13572e-10 5.29351e-10 ] [ -2.79845e-10 4.92805e-10 7.71147e-10 ] [ -3.84074e-10 6.90959e-10 1.3304700000000001e-11 ] [ -4.0228400000000007e-10 7.03418e-10 2.36212e-10 ] [ -3.9431600000000006e-10 6.995190000000001e-10 4.930030000000001e-10 ] [ -3.8256700000000003e-10 7.501660000000001e-10 7.75349e-10 ] [ 2.80879e-10 3.90403e-12 -2.8993600000000005e-11 ] [ 2.50906e-10 1.49879e-11 2.92328e-10 ] [ 2.4760900000000003e-10 2.01173e-11 5.155150000000001e-10 ] [ 2.3984800000000004e-10 7.55178e-11 7.96573e-10 ] [ 1.30067e-10 2.26939e-10 -1.62389e-12 ] [ 1.3322e-10 2.23612e-10 2.56102e-10 ] [ 1.43269e-10 2.32698e-10 5.336820000000001e-10 ] [ 9.971560000000001e-11 2.84236e-10 7.766200000000001e-10 ] [ 3.3513700000000006e-11 4.3596800000000003e-10 -4.1790400000000003e-11 ] [ -8.352150000000001e-12 5.02199e-10 2.2286800000000004e-10 ] [ -7.47447e-12 4.77134e-10 5.088160000000001e-10 ] [ -1.36421e-11 4.860330000000001e-10 7.73109e-10 ] [ -1.1242399999999999e-10 6.894879999999999e-10 -3.31194e-12 ] [ -1.67836e-10 7.07189e-10 2.72226e-10 ] [ -1.39063e-10 6.95309e-10 5.065750000000001e-10 ] [ -1.5438700000000002e-10 7.49711e-10 7.4399e-10 ] [ 5.120800000000001e-10 -1.3877600000000002e-11 3.33694e-11 ] [ 5.30155e-10 1.34077e-11 2.4594000000000003e-10 ] [ 5.276989999999999e-10 4.84285e-13 4.9212e-10 ] [ 4.85928e-10 2.33865e-11 7.631490000000001e-10 ] [ 3.97831e-10 2.2729200000000001e-10 -3.6299100000000005e-14 ] [ 3.94969e-10 2.3684e-10 2.5422e-10 ] [ 3.84843e-10 2.6472600000000004e-10 5.29769e-10 ] [ 3.63978e-10 2.5476e-10 7.937260000000001e-10 ] [ 2.87518e-10 4.1925999999999996e-10 -1.07875e-11 ] [ 2.32498e-10 4.73478e-10 2.6750300000000003e-10 ] [ 2.5413600000000003e-10 4.68928e-10 4.67454e-10 ] [ 2.2592400000000002e-10 4.7252e-10 7.75096e-10 ] [ 1.06839e-10 6.972920000000001e-10 -4.96059e-13 ] [ 1.3210900000000001e-10 7.03447e-10 2.6782400000000005e-10 ] [ 1.24084e-10 7.04082e-10 5.056330000000001e-10 ] [ 1.38535e-10 6.77454e-10 7.916280000000001e-10 ] [ 8.05661e-10 3.2140300000000004e-11 -1.70494e-11 ] [ 7.81102e-10 8.22359e-12 2.86153e-10 ] [ 7.824910000000001e-10 1.92494e-11 5.73545e-10 ] [ 7.566290000000001e-10 4.35652e-11 7.81187e-10 ] [ 6.5856e-10 2.29276e-10 5.90417e-12 ] [ 6.6217e-10 2.2541600000000003e-10 3.01817e-10 ] [ 6.548160000000001e-10 2.54821e-10 5.142520000000001e-10 ] [ 6.362739999999999e-10 2.84257e-10 8.107849999999999e-10 ] [ 4.926300000000001e-10 4.658419999999999e-10 2.6493499999999998e-11 ] [ 5.31998e-10 4.3399900000000004e-10 2.89505e-10 ] [ 4.93083e-10 4.73588e-10 5.443010000000001e-10 ] [ 4.88796e-10 4.4595900000000007e-10 7.8083e-10 ] [ 3.90175e-10 6.718560000000001e-10 5.07464e-12 ] [ 3.8837100000000003e-10 7.02909e-10 2.28992e-10 ] [ 3.9869500000000004e-10 6.94934e-10 4.696650000000001e-10 ] [ 3.91958e-10 7.146899999999999e-10 7.65695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2867700000000001 -0.4255501000000001 -0.12890880000000002 ] [ 0.4345921000000001 -0.27987570000000006 -1.3478862000000003 ] [ 0.31033980000000005 -0.32496490000000006 1.7911221000000004 ] [ -0.5734008000000002 -0.3999606000000001 0.22687620000000006 ] [ 0.13454540000000004 0.7658990000000002 0.008845500000000001 ] [ 0.11281840000000003 1.1536280000000003 -1.2293810000000003 ] [ -0.09692600000000003 1.1740165000000002 0.9165005000000003 ] [ -0.12154960000000002 0.18868820000000006 -0.15207560000000003 ] [ 0.017263000000000004 0.08058360000000002 -1.3918136000000003 ] [ -0.07366670000000002 -0.48717510000000014 0.7987139000000002 ] [ -0.12601320000000002 -1.0973188000000003 -0.027200000000000005 ] [ -0.12104780000000002 0.3828521000000001 0.6308128000000001 ] [ -0.12862670000000004 -0.19305730000000004 -1.1384249000000002 ] [ -0.24802470000000004 -0.3718350000000001 -0.09256440000000002 ] [ -0.6107122000000001 -0.010236000000000002 0.4740006000000001 ] [ -0.6338983000000001 -0.9058680000000002 0.5038070000000001 ] [ -0.49919970000000013 -0.26026900000000003 0.33688700000000005 ] [ 0.24891390000000005 0.27051010000000003 -0.7715551000000003 ] [ 0.31562390000000007 -0.023293300000000003 0.6629505000000001 ] [ -0.23357100000000006 -0.6516343000000001 -0.08080010000000001 ] [ -0.15652660000000002 -0.4204425000000001 0.2973256000000001 ] [ -0.18494020000000003 0.6263313000000001 -0.2823780000000001 ] [ -0.4347318000000001 0.4012679000000001 -0.011271500000000002 ] [ -0.4745987000000001 -0.47082810000000014 0.027731200000000008 ] [ -0.6098319000000001 0.6272037000000001 0.11786000000000003 ] [ -0.07167670000000001 -0.7607802000000002 -0.16016840000000002 ] [ -0.08556290000000001 -0.43822870000000014 -0.13305350000000002 ] [ -0.9909224000000002 0.5277467000000001 -0.15802590000000002 ] [ -0.5693476000000001 -0.7468095000000001 -0.6751288000000001 ] [ 0.4188213000000001 -0.15284470000000003 -0.32105230000000007 ] [ 0.44960260000000013 0.06363160000000001 0.2875150000000001 ] [ 0.35500820000000005 -0.6993960000000001 0.6954554000000001 ] [ 0.5324447000000001 0.4630576000000001 -0.8114341000000003 ] [ -0.25195870000000004 0.21602260000000006 0.03925010000000001 ] [ -0.17739080000000002 0.5413353000000001 0.4592779000000001 ] [ 0.9825718000000002 0.10789780000000003 0.2582922000000001 ] [ 0.4312836000000001 -0.37233010000000005 0.003715300000000001 ] [ -0.12541690000000003 -0.032571800000000005 -0.003054200000000001 ] [ 0.3411834000000001 -0.6114483000000001 -0.011441200000000002 ] [ 0.6151393000000002 -0.07577480000000002 0.05671850000000001 ] [ -0.5587438000000001 0.9024429000000003 -0.09218100000000001 ] [ 0.11553030000000003 -0.27569520000000003 -1.0266854000000003 ] [ -0.20815860000000005 0.14113140000000002 0.7805436000000002 ] [ 0.7663421000000002 0.6243491000000001 -0.28309020000000007 ] [ 1.0892971000000002 -0.21486830000000007 -0.6476283000000002 ] [ -0.09381460000000003 -0.14458170000000004 -0.36005180000000003 ] [ 0.3158329000000001 -0.18990170000000006 0.8561115000000002 ] [ -0.08948040000000002 1.1739839000000003 0.2739072000000001 ] [ -0.6108388000000001 -1.0113331000000003 -0.14449340000000002 ] [ -0.22671860000000005 -0.11908660000000003 -0.4081351000000001 ] [ -0.22867880000000004 -0.3590378000000001 0.21587650000000005 ] [ -0.36527630000000005 -0.5783689000000001 0.9204749000000002 ] [ -0.20802570000000006 0.19002300000000005 0.07417200000000002 ] [ -0.04489130000000001 0.3951828000000001 -0.6768818000000001 ] [ -0.11190870000000003 0.22987890000000005 0.9539151000000002 ] [ 0.18296040000000002 -0.49671720000000014 0.06344150000000001 ] [ 1.1018610000000002 0.17828500000000003 -0.32742190000000004 ] [ 0.12735600000000002 0.5229902000000001 -0.04675560000000001 ] [ 0.5203108000000001 0.4559780000000001 0.32399630000000007 ] [ 0.3720743000000001 1.3251761000000002 0.4936142000000001 ] [ -0.28502750000000004 0.44662610000000014 -1.1491221000000003 ] [ -0.07012710000000001 -0.4048578000000001 -0.4339245000000001 ] [ -0.13693130000000003 -0.08286160000000001 0.7797440000000002 ] [ 0.25967710000000005 -0.08691660000000001 0.19453440000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.5945618954681614e-10 -6.818064211991022e-10 -2.0653466557538307e-10 ] [ 6.962933022043758e-10 -4.484103032700347e-10 -2.1595517571389535e-09 ] [ 4.97219172063748e-10 -5.2065116536061e-10 2.8696939536182004e-09 ] [ -9.186893561080169e-10 -6.408075225611407e-10 3.6349574345594507e-10 ] [ 2.155654943161844e-10 1.2271054716940996e-09 1.4172053299286402e-11 ] [ 1.8075500287606277e-10 1.848315810700263e-09 -1.9696854962557255e-09 ] [ -1.5529257114766084e-10 1.8809817887334435e-09 1.468395674051511e-09 ] [ -1.9474392738759173e-10 3.0231182266083464e-10 -2.4365197091413257e-10 ] [ 2.7658375004870407e-11 1.291091599398989e-10 -2.2299312104314837e-09 ] [ -1.1802706447148738e-10 -7.805405554559023e-10 1.2796807372879896e-09 ] [ -2.018954029521946e-10 -1.7580985269243115e-09 -4.357920408576001e-11 ] [ -1.9393995515927428e-10 6.133966838441838e-10 1.0106735202613863e-09 ] [ -2.0608269155065544e-10 -3.0931189253477193e-10 -1.8239577593165783e-09 ] [ -3.9737937572093385e-10 -5.957453437951682e-10 -1.4830451759837954e-10 ] [ -9.78468808877334e-10 -1.6399879890508805e-11 7.594326795651726e-10 ] [ -1.0156170362248648e-09 -1.4513605311308549e-09 8.071877967953858e-10 ] [ -7.99806088450374e-10 -4.1699690691899525e-10 5.397524752514497e-10 ] [ 3.988040311721492e-10 4.3340495791027014e-10 -1.2361675428790066e-09 ] [ 5.056852335457172e-10 -3.731998068128064e-11 1.0621637918476706e-09 ] [ -3.742219954968769e-10 -1.0440332407713738e-09 -1.2945603117830212e-10 ] [ -2.5078325905331333e-10 -6.736231438907042e-10 4.763681250853326e-10 ] [ -2.963068646860762e-10 1.0034933657352713e-09 -4.5241942982826254e-10 ] [ -6.965171262783017e-10 6.429020480575125e-10 -1.8058933781347205e-11 ] [ -7.603909414020732e-10 -7.543497742356847e-10 4.443028030672898e-11 ] [ -9.770584127980438e-10 1.0048911046192571e-09 1.8883253652748806e-10 ] [ -1.1483873299609538e-10 -1.2189042500075485e-09 -2.5661806587094276e-10 ] [ -1.3708687798784834e-10 -7.021197777035773e-10 -2.1317520701561284e-10 ] [ -1.5876327023070262e-09 8.455434244443516e-10 -2.531854024608788e-10 ] [ -9.121954138285902e-10 -1.1965207210913379e-09 -1.0816755793887591e-09 ] [ 6.710256951530632e-10 -2.448842049531898e-10 -5.143824891140679e-10 ] [ 7.203427743708943e-10 1.019490618640973e-10 4.6064981112931214e-10 ] [ 5.687858382322907e-10 -1.120555919881037e-09 1.1142423826891124e-09 ] [ 8.5307045020887e-10 7.419000608037583e-10 -1.3000607443398897e-09 ] [ -4.0368233854716104e-10 3.461063592844302e-10 6.28855925840621e-11 ] [ -2.842113925050087e-10 8.673147616737544e-10 7.358443138301205e-10 ] [ 1.5742535662173738e-09 1.7287133259575428e-10 4.138297241749979e-10 ] [ 6.90992500854459e-10 -5.965385814401262e-10 5.952566799258242e-12 ] [ -2.0094002503321157e-10 -5.218577645737345e-11 -4.8933678352473616e-12 ] [ 5.466360668850549e-10 -9.796481710879048e-10 -1.8330823153896962e-11 ] [ 9.855618049952778e-10 -1.2140461300579588e-10 9.087305466684482e-11 ] [ -8.952062533769513e-10 1.4458729159869528e-09 -1.4769024308196484e-10 ] [ 1.850999456540103e-10 -4.4171240390678024e-10 -1.644931344796697e-09 ] [ -3.33506842338459e-10 2.2611742954077315e-10 1.2505687074350672e-09 ] [ 1.227815396154776e-09 1.0003175312375214e-09 -4.535605000175963e-10 ] [ 1.7452463467252402e-09 -3.4425696681104074e-10 -1.037614921228449e-09 ] [ -1.5030755880970373e-10 -2.3164541953551944e-10 -5.768665762369576e-10 ] [ 5.060200884594645e-10 -3.0425606399017547e-10 1.3716418300980196e-09 ] [ -1.4336340489983236e-10 1.8809295577756056e-09 4.388477121087899e-10 ] [ -9.786716444375272e-10 -1.620334248661189e-09 -2.3150394733990277e-10 ] [ -3.6324324042050697e-10 -1.9079776637056132e-10 -6.539045153478702e-10 ] [ -3.6638382703259913e-10 -5.752419691434664e-10 3.458722812801313e-10 ] [ -5.852371479923271e-10 -9.266491297778132e-10 1.4747633648132183e-09 ] [ -3.3329391306555466e-10 3.044504080142785e-10 1.1883664431797764e-10 ] [ -7.192379133731905e-11 6.331526431022825e-10 -1.0844841950050215e-09 ] [ -1.7929750280412102e-10 3.6830659919522124e-10 1.5283404714480946e-09 ] [ 2.9313487541221636e-10 -7.95828684989238e-10 1.0164448808848322e-10 ] [ 1.765375933571309e-09 2.8564405883932803e-10 -5.245877133179156e-10 ] [ 2.0404680571860485e-10 8.379226713475163e-10 -7.49107292114765e-11 ] [ 8.336297993097447e-10 7.305572911991426e-10 5.190992970857032e-10 ] [ 5.961287446605256e-10 2.123166165862923e-09 7.908571309348956e-10 ] [ -4.566643967850721e-10 7.155738956590832e-10 -1.8410965630646001e-09 ] [ -1.123560001045037e-10 -6.486537019085225e-10 -6.952236890923298e-10 ] [ -2.193881275157511e-10 -1.327589182820813e-10 1.2492876070090756e-09 ] [ 4.160485785771438e-10 -1.392557444794253e-10 3.116784676213556e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 324.29093 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.195713463834894e-17 } }