{ "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" [ 10.5567 0 0 ] "si-unit" "m" "si-value" [ 1.05567e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.20932 9.18827 0 ] "si-unit" "m" "si-value" [ -5.20932e-10 9.18827e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.18786 0.0666744 10.2608 ] "si-unit" "m" "si-value" [ -1.8786e-11 6.66744e-12 1.02608e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.283194 -0.386785 -0.118492 ] [ 0.246866 -0.21606 2.82281 ] [ -0.0836219 0.018241 5.31007 ] [ -0.293717 -0.384344 7.57864 ] [ -1.43069 2.29331 0.309847 ] [ -1.35745 2.29447 2.1477 ] [ -1.11282 2.30117 5.57605 ] [ -1.0529 2.25523 8.14996 ] [ -2.62682 4.22592 0.0845056 ] [ -2.66632 4.56224 2.24299 ] [ -2.64219 4.52795 5.15093 ] [ -2.76087 4.78142 7.5503 ] [ -4.00447 6.84306 0.412644 ] [ -3.96448 6.83552 2.60425 ] [ -4.07483 7.14381 5.12813 ] [ -3.99024 6.90046 7.83447 ] [ 2.35797 0.0901357 0.0940267 ] [ 2.51848 -0.254897 2.80735 ] [ 2.64123 -0.0262436 4.86429 ] [ 2.73169 0.0293697 7.63944 ] [ 1.38694 2.32567 -0.401338 ] [ 1.45014 2.0066 2.29982 ] [ 1.36777 2.17575 5.22748 ] [ 1.51859 1.95452 7.72489 ] [ -0.378423 4.6342 0.275746 ] [ 0.0875928 4.5683 2.62757 ] [ -0.120729 4.56872 5.4428 ] [ -0.0516659 4.27553 7.44726 ] [ -1.39631 6.57015 0.0521927 ] [ -1.387 6.84455 2.30582 ] [ -1.53804 6.92144 4.91508 ] [ -1.19435 7.14921 7.61543 ] [ 5.2052 -0.133658 -0.326167 ] [ 5.25814 0.274849 2.5427 ] [ 5.06618 -0.15995 5.22987 ] [ 5.52975 0.245104 7.58035 ] [ 3.89444 2.46247 0.478395 ] [ 3.97094 2.28276 2.83332 ] [ 3.90668 2.19487 5.2001 ] [ 3.61141 2.02753 8.00859 ] [ 2.56457 4.62627 0.184413 ] [ 2.74023 4.60475 3.00429 ] [ 2.8301 4.45212 4.83026 ] [ 2.31952 4.47625 7.8889 ] [ 1.42524 6.85023 -0.353147 ] [ 1.25681 6.75802 2.46119 ] [ 1.33486 6.66836 5.0109 ] [ 1.43576 6.51188 8.1871 ] [ 7.90631 0.00393241 0.0217092 ] [ 7.99511 -0.220645 2.86668 ] [ 8.02727 -0.0375298 5.19594 ] [ 8.09865 0.104076 8.00312 ] [ 6.83826 2.22125 0.296203 ] [ 6.46766 2.34085 2.33837 ] [ 6.55129 2.30089 5.1773 ] [ 6.59436 2.26185 7.90285 ] [ 5.54281 4.6208 -0.248744 ] [ 5.2397 4.807 2.51143 ] [ 5.16397 4.38995 5.13699 ] [ 5.53256 4.22852 8.04871 ] [ 3.66559 7.00483 -0.027141 ] [ 3.91947 6.59916 2.92411 ] [ 3.99698 6.80761 4.87381 ] [ 4.10733 6.47995 7.72695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.83194e-11 -3.86785e-11 -1.18492e-11 ] [ 2.4686600000000003e-11 -2.1606e-11 2.82281e-10 ] [ -8.36219e-12 1.8241000000000003e-12 5.31007e-10 ] [ -2.9371700000000003e-11 -3.8434400000000004e-11 7.57864e-10 ] [ -1.43069e-10 2.29331e-10 3.09847e-11 ] [ -1.35745e-10 2.2944700000000002e-10 2.1477e-10 ] [ -1.11282e-10 2.30117e-10 5.576050000000001e-10 ] [ -1.0528999999999999e-10 2.2552300000000001e-10 8.14996e-10 ] [ -2.62682e-10 4.2259200000000005e-10 8.45056e-12 ] [ -2.66632e-10 4.5622400000000004e-10 2.2429899999999998e-10 ] [ -2.64219e-10 4.52795e-10 5.15093e-10 ] [ -2.76087e-10 4.78142e-10 7.5503e-10 ] [ -4.004470000000001e-10 6.843060000000001e-10 4.12644e-11 ] [ -3.96448e-10 6.83552e-10 2.60425e-10 ] [ -4.0748300000000005e-10 7.143810000000001e-10 5.128129999999999e-10 ] [ -3.99024e-10 6.90046e-10 7.83447e-10 ] [ 2.35797e-10 9.01357e-12 9.402670000000001e-12 ] [ 2.51848e-10 -2.54897e-11 2.80735e-10 ] [ 2.6412300000000004e-10 -2.62436e-12 4.864289999999999e-10 ] [ 2.73169e-10 2.93697e-12 7.63944e-10 ] [ 1.3869400000000002e-10 2.3256700000000003e-10 -4.01338e-11 ] [ 1.45014e-10 2.0066000000000003e-10 2.29982e-10 ] [ 1.36777e-10 2.17575e-10 5.22748e-10 ] [ 1.5185900000000002e-10 1.95452e-10 7.724890000000001e-10 ] [ -3.7842300000000005e-11 4.6342e-10 2.75746e-11 ] [ 8.75928e-12 4.5683e-10 2.62757e-10 ] [ -1.20729e-11 4.56872e-10 5.4428e-10 ] [ -5.16659e-12 4.27553e-10 7.44726e-10 ] [ -1.39631e-10 6.57015e-10 5.21927e-12 ] [ -1.387e-10 6.84455e-10 2.3058200000000004e-10 ] [ -1.53804e-10 6.92144e-10 4.91508e-10 ] [ -1.19435e-10 7.149210000000001e-10 7.615430000000001e-10 ] [ 5.2052e-10 -1.33658e-11 -3.26167e-11 ] [ 5.25814e-10 2.7484900000000003e-11 2.5427e-10 ] [ 5.06618e-10 -1.5995000000000002e-11 5.22987e-10 ] [ 5.52975e-10 2.45104e-11 7.580350000000001e-10 ] [ 3.89444e-10 2.4624700000000003e-10 4.78395e-11 ] [ 3.97094e-10 2.2827600000000003e-10 2.83332e-10 ] [ 3.9066800000000004e-10 2.1948699999999998e-10 5.2001e-10 ] [ 3.61141e-10 2.0275300000000002e-10 8.008590000000001e-10 ] [ 2.56457e-10 4.62627e-10 1.84413e-11 ] [ 2.7402300000000003e-10 4.60475e-10 3.00429e-10 ] [ 2.8301e-10 4.45212e-10 4.83026e-10 ] [ 2.3195199999999998e-10 4.4762500000000004e-10 7.8889e-10 ] [ 1.4252400000000002e-10 6.85023e-10 -3.53147e-11 ] [ 1.25681e-10 6.75802e-10 2.46119e-10 ] [ 1.33486e-10 6.66836e-10 5.010900000000001e-10 ] [ 1.43576e-10 6.51188e-10 8.1871e-10 ] [ 7.906310000000001e-10 3.93241e-13 2.1709200000000002e-12 ] [ 7.995110000000001e-10 -2.2064500000000002e-11 2.8666800000000004e-10 ] [ 8.02727e-10 -3.7529800000000004e-12 5.19594e-10 ] [ 8.09865e-10 1.04076e-11 8.003119999999999e-10 ] [ 6.838260000000001e-10 2.22125e-10 2.96203e-11 ] [ 6.467660000000001e-10 2.34085e-10 2.33837e-10 ] [ 6.55129e-10 2.30089e-10 5.1773e-10 ] [ 6.59436e-10 2.26185e-10 7.90285e-10 ] [ 5.542810000000001e-10 4.6208e-10 -2.48744e-11 ] [ 5.2397e-10 4.807e-10 2.51143e-10 ] [ 5.16397e-10 4.38995e-10 5.13699e-10 ] [ 5.532560000000001e-10 4.2285199999999996e-10 8.04871e-10 ] [ 3.66559e-10 7.004830000000001e-10 -2.7141e-12 ] [ 3.91947e-10 6.599160000000001e-10 2.9241100000000004e-10 ] [ 3.99698e-10 6.80761e-10 4.87381e-10 ] [ 4.10733e-10 6.47995e-10 7.726950000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.1130663 5.763046300000001 0.2821 ] [ -7.3859962 2.7301764000000004 -0.9649893 ] [ -0.1189036 0.6893511000000001 -2.0086938 ] [ 5.00746 2.2669857000000007 1.0351983 ] [ 1.0872465 -3.3599498000000008 -29.6405616 ] [ 3.120287 -1.4641520000000001 34.6115603 ] [ -3.2741892 0.13554490000000002 1.0732543 ] [ -2.580593 -1.2201906000000002 -4.0024711 ] [ -2.9126625 2.8896318000000005 -4.0102133 ] [ 1.1728776 0.5628059000000001 4.6139686 ] [ 0.369978 0.4969320000000001 0.0682764 ] [ 1.3573902 0.00046559999999999977 0.3518858 ] [ 0.7745934 0.08944950000000002 -5.9752622 ] [ -0.5959848 -2.9441009000000005 3.623871 ] [ 0.105739 -3.521580700000001 2.8114911 ] [ 3.0323143 -0.8368827000000002 0.054724 ] [ 1.6446259 -0.0030652999999999995 -1.4027871 ] [ 6.4934489 2.6727068000000003 -7.7471996 ] [ -1.1778993 0.9612797000000002 8.0484356 ] [ -2.5862385 -12.154118900000004 -0.3176865 ] [ -2.1253688 0.26232400000000006 6.1084669 ] [ -1.0181627 2.0618720000000006 0.5243783 ] [ -0.22766 1.9642753000000004 -0.2741281 ] [ -14.7854938 4.7032069000000005 -7.3914999 ] [ 8.5062615 -2.8262912000000004 0.2530474 ] [ -0.170327 -2.4513604000000004 -0.2435006 ] [ 0.746195 0.8568973000000002 -12.8029257 ] [ 1.1108438 5.068480400000001 13.2402911 ] [ -1.8997991 6.9936630000000015 -3.793893 ] [ 0.9684454 0.008838999999999998 2.9163062 ] [ 1.9428014 -2.8576037000000003 1.0350735 ] [ 3.404307 -4.398312700000001 -0.5847769 ] [ -0.3490394 -1.0697337000000002 1.589981 ] [ 0.6881879 -4.712096100000001 0.1616544 ] [ 3.0121511 0.14582010000000004 -1.2669009 ] [ -2.8045845 -2.0522356000000004 -1.0037431 ] [ 1.7962819 0.17426870000000003 -4.0536787 ] [ -2.8868322 1.8602651000000003 0.6787496 ] [ 1.3419148 -0.4463484000000001 2.7649238 ] [ 17.2152267 6.6885340000000015 2.3461442 ] [ -0.9368727 -2.7947514000000004 -1.7167166 ] [ -3.6559679 0.05812960000000004 -31.1342239 ] [ -3.2369331 -1.1039825000000003 32.3950687 ] [ 2.1835241 -4.697723400000001 1.8157845 ] [ -7.784604 8.765447500000002 41.2472489 ] [ 0.3706976 0.8073799000000003 2.0850081 ] [ 0.0155819 1.4745727000000002 -0.5258333 ] [ 0.0332801 -1.1051194000000002 -44.5476696 ] [ -4.953925 1.7790835000000005 0.8922416 ] [ -0.6946646 2.2559663000000003 -2.5301959 ] [ -1.4524632 -1.1395897000000001 0.6975347 ] [ -4.3954504 -2.0723224000000005 -0.518441 ] [ -4.5027428 -2.8858702000000003 -9.7025018 ] [ 1.9725426 1.0610110000000001 10.1393174 ] [ 2.1251848 -1.6940605000000004 0.9630231 ] [ 5.1203647 -0.7232692000000001 -1.6444264 ] [ -3.1967993 2.3655413000000003 13.9024842 ] [ 2.6561871 -5.950156100000001 1.1879047 ] [ 1.6653951 3.606421100000001 -0.3058667 ] [ -4.3758549 2.0112110000000003 -14.4572635 ] [ 3.8577443 -7.685606300000002 0.2463067 ] [ -2.4097144 3.214701300000001 -16.6396868 ] [ -1.2070417 0.8952112000000002 16.6858145 ] [ -2.3093774 -0.17102430000000002 0.7562183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1396388621952834e-08 9.233418122520156e-09 4.519740284514e-10 ] [ -1.1833670530452791e-08 4.374224834778239e-09 -1.5460833085200163e-09 ] [ -1.905045696184824e-10 1.1044622250421976e-09 -3.2182822712206693e-09 ] [ 8.02283540768964e-09 3.6321115181521347e-09 1.6585705278165222e-09 ] [ 1.741960937698281e-09 -5.383233060972974e-09 -4.7489415214157655e-08 ] [ 4.999250922773958e-09 -2.345830123024368e-09 5.5453833178942034e-08 ] [ -5.245829431535153e-09 2.1716687163786665e-10 1.7195429618000263e-09 ] [ -4.1345658064639616e-09 -1.9549608683464407e-09 -6.412665674680278e-09 ] [ -4.666599800228025e-09 4.629700550823362e-09 -6.425070046616033e-09 ] [ 1.8791570852619984e-09 9.017144624573407e-10 7.392392680929692e-09 ] [ 5.92770106694052e-10 7.961728390868881e-10 1.093908527336376e-10 ] [ 2.1747788616605867e-09 7.459734407903996e-13 5.637832065963973e-10 ] [ 1.2410354463306155e-09 1.4331389882298302e-10 -9.573425478863435e-09 ] [ -9.548729207791632e-10 -4.716969670118371e-09 5.8060814408302135e-09 ] [ 1.69412555102526e-10 -5.642194312285365e-09 4.504505347118957e-09 ] [ 4.858303118404066e-09 -1.340833907338832e-09 8.7677514119016e-11 ] [ 2.634981188651221e-09 -4.911152036200199e-12 -2.2475127140966216e-09 ] [ 1.0403652101653003e-08 4.282148384492911e-09 -1.2412382178054147e-08 ] [ -1.887202735664956e-09 1.54013987407853e-09 1.289501545857377e-08 ] [ -4.1436108946512084e-09 -1.947304530843779e-08 -5.08989887237241e-10 ] [ -3.405216229992619e-09 4.202893833374161e-10 9.786842936742415e-09 ] [ -1.6312764875503518e-09 3.303483140698849e-09 8.401466596366421e-10 ] [ -3.6475153249644e-10 3.1471159884033407e-09 -4.392016365428154e-10 ] [ -2.3688972688511868e-08 7.535368200047575e-09 -1.1842488429993337e-08 ] [ 1.3628533417993792e-08 -4.528217721519822e-09 4.0542663157445154e-10 ] [ -2.72893939539318e-10 -3.9275123543928946e-09 -3.901309716849804e-10 ] [ 1.19553619340763e-09 1.3729008317976885e-09 -2.051254840337809e-08 ] [ 1.7797679803837693e-09 8.120600866766976e-09 2.121328502777816e-08 ] [ -3.0438137273142297e-09 1.1205083444670344e-08 -6.078486716496162e-09 ] [ 1.5516205911847836e-09 1.4161639267925996e-11 4.672437651229331e-09 ] [ 3.1127110075824876e-09 -4.578385877371946e-09 1.658370576172599e-09 ] [ 5.454301130362638e-09 -7.046873836965453e-09 -9.369158852829546e-10 ] [ -5.592227710253796e-10 -1.713902338742366e-09 2.5474304067039542e-09 ] [ 1.1025985731815285e-09 -7.549610268582529e-09 2.5899890246328963e-10 ] [ 4.8259981104973975e-09 2.3362955698754346e-10 -2.0297990195735705e-09 ] [ -4.493439753978573e-09 -3.288043925782971e-09 -1.6081737413587256e-09 ] [ 2.877960888257125e-09 2.7920923917755586e-10 -6.494709294883495e-09 ] [ -4.625215097118815e-09 2.980473276265674e-09 1.0874767494568464e-09 ] [ 2.1499845373787834e-09 -7.151289771032858e-10 4.429896307150489e-09 ] [ 2.7581833967752925e-08 1.071621289051456e-08 3.758937417234623e-09 ] [ -1.5010355489724918e-09 -4.477685390918788e-09 -2.7504832237199243e-09 ] [ -5.857506344034048e-09 9.313388686376646e-11 -4.988252605030435e-08 ] [ -5.186138578641185e-09 -1.7687749658449054e-09 5.190262212796476e-08 ] [ 3.4983912927958797e-09 -7.526582664475037e-09 2.9092074982793727e-09 ] [ -1.2472310633742936e-08 1.4043795171053719e-08 6.608537840436221e-08 ] [ 5.939230329998784e-10 1.293565210541257e-09 3.3405512595207355e-09 ] [ 2.49649560933246e-11 2.362525925074292e-09 -8.424778266391122e-10 ] [ 5.33205985971834e-11 -1.7705964804600999e-09 -7.137323533227213e-08 ] [ -7.93706288158845e-09 2.85040601363494e-09 1.4295286434027744e-09 ] [ -1.1129753905869564e-09 3.614456492951435e-09 -4.0538207504226e-09 ] [ -2.3271026007848686e-09 -1.8258239896870701e-09 1.1175737977441998e-09 ] [ -7.042287926785953e-09 -3.3202265273948024e-09 -8.306340563075941e-10 ] [ -7.214189303071735e-09 -4.6236738031969075e-09 -1.5545121675302943e-08 ] [ 3.1603616632896084e-09 1.6999270326169742e-09 1.624497742298963e-08 ] [ 3.4049214294919633e-09 -2.7141841496823576e-09 1.5429331088222455e-09 ] [ 8.203728679898419e-09 -1.158805012331873e-09 -2.6346615544127374e-09 ] [ -5.121837142047556e-09 3.790014997621985e-09 2.2274235339794182e-08 ] [ 4.2556809071522215e-09 -9.533201072072569e-09 1.90323315375878e-09 ] [ 2.6682571155980935e-09 5.778123618784579e-09 -4.900524798586878e-10 ] [ -7.010892474554407e-09 3.2223152702437746e-09 -2.316308977128106e-08 ] [ 6.180787777406686e-09 -1.2313698831983197e-08 3.946268395376478e-10 ] [ -3.860788106293329e-09 5.150519308149426e-09 -2.665971738803823e-08 ] [ -1.9338940080036377e-09 1.4342864671351011e-09 2.6733622111158392e-08 ] [ -3.7000305093676714e-09 -2.7401113730620623e-10 1.2115952904632023e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -186.14008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.982292868268907e-17 } }