{ "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" [ 10.4694 0 0 ] "si-unit" "m" "si-value" [ 1.04694e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.30232 9.08443 0 ] "si-unit" "m" "si-value" [ -5.302320000000001e-10 9.084429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.426787 0.0377515 10.129 ] "si-unit" "m" "si-value" [ 4.267870000000001e-11 3.775150000000001e-12 1.0129e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.124766 -0.0254336 0.0301791 ] [ 0.420976 -0.159557 2.5311 ] [ 0.274807 -0.02529 5.30948 ] [ 0.213792 -0.0234977 7.58212 ] [ -1.202 2.37613 -0.080569 ] [ -1.15815 1.84991 2.69093 ] [ -0.991192 2.23964 5.61161 ] [ -0.97293 2.29898 7.60055 ] [ -2.91373 4.53149 0.0835674 ] [ -2.47467 4.61494 2.42585 ] [ -2.20528 4.48473 5.38766 ] [ -2.2849 4.61478 7.5475 ] [ -3.9574 6.8338 0.172976 ] [ -3.90761 6.93753 2.48565 ] [ -3.64507 6.95312 4.73982 ] [ -3.5426 6.91159 7.78603 ] [ 2.52795 -0.310365 -0.369098 ] [ 2.69324 -0.180435 2.80636 ] [ 2.92512 0.0462496 4.76527 ] [ 3.01062 0.000193476 7.78312 ] [ 1.17991 2.44324 -0.367804 ] [ 1.3379 2.45731 2.6923 ] [ 1.54349 2.25116 5.08137 ] [ 1.65192 2.37104 8.00237 ] [ 0.0723763 4.58497 -0.0303845 ] [ 0.201293 4.60391 2.6561 ] [ 0.41827 4.45556 4.65494 ] [ 0.691588 4.65299 7.63588 ] [ -1.10421 6.82646 0.0167637 ] [ -0.967401 7.06783 2.49662 ] [ -0.845113 6.78562 5.32897 ] [ -0.82021 7.12449 7.28985 ] [ 5.32205 -0.118658 -0.348466 ] [ 5.81019 -0.0182185 2.34478 ] [ 5.54606 -0.0614118 4.94528 ] [ 5.57733 -0.09279 7.37554 ] [ 4.01914 2.22742 -0.502342 ] [ 3.87092 2.14677 2.31781 ] [ 4.19913 2.17952 4.72485 ] [ 4.25309 2.4327 7.64504 ] [ 2.70908 4.53405 0.098187 ] [ 2.79206 4.554 2.12947 ] [ 3.06724 4.75998 5.21523 ] [ 2.96735 4.38657 7.87584 ] [ 1.26698 7.07182 -0.0336983 ] [ 1.37352 7.04775 2.13236 ] [ 1.51659 7.20053 5.19239 ] [ 1.90047 6.72082 7.20278 ] [ 8.04564 -0.277691 -0.235238 ] [ 7.99699 -0.0739306 2.1822 ] [ 8.04545 0.116206 4.92256 ] [ 8.221 -0.135646 7.47738 ] [ 6.49702 2.15024 -0.402096 ] [ 6.6679 1.98011 2.41643 ] [ 6.83305 2.17661 4.80135 ] [ 6.96826 1.97425 7.32397 ] [ 5.63388 4.7883 -0.450782 ] [ 5.53199 4.46923 2.29328 ] [ 5.5418 4.49605 4.84509 ] [ 5.75163 4.66616 7.91371 ] [ 3.98872 6.71969 -0.366761 ] [ 3.98944 6.64268 2.15287 ] [ 4.28251 6.79592 5.29386 ] [ 4.26871 6.64573 7.50153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.24766e-11 -2.54336e-12 3.01791e-12 ] [ 4.2097600000000006e-11 -1.59557e-11 2.5311e-10 ] [ 2.7480700000000002e-11 -2.5290000000000002e-12 5.30948e-10 ] [ 2.1379200000000002e-11 -2.34977e-12 7.58212e-10 ] [ -1.202e-10 2.37613e-10 -8.0569e-12 ] [ -1.15815e-10 1.84991e-10 2.6909299999999997e-10 ] [ -9.91192e-11 2.23964e-10 5.61161e-10 ] [ -9.7293e-11 2.2989799999999999e-10 7.60055e-10 ] [ -2.91373e-10 4.5314899999999997e-10 8.356740000000001e-12 ] [ -2.47467e-10 4.61494e-10 2.42585e-10 ] [ -2.2052800000000002e-10 4.4847300000000003e-10 5.387660000000001e-10 ] [ -2.2849e-10 4.61478e-10 7.547500000000001e-10 ] [ -3.9573999999999997e-10 6.833800000000001e-10 1.72976e-11 ] [ -3.90761e-10 6.93753e-10 2.48565e-10 ] [ -3.6450700000000004e-10 6.953120000000001e-10 4.73982e-10 ] [ -3.5426e-10 6.91159e-10 7.78603e-10 ] [ 2.52795e-10 -3.10365e-11 -3.69098e-11 ] [ 2.69324e-10 -1.80435e-11 2.8063600000000004e-10 ] [ 2.92512e-10 4.6249600000000005e-12 4.76527e-10 ] [ 3.01062e-10 1.93476e-14 7.783120000000001e-10 ] [ 1.17991e-10 2.4432399999999997e-10 -3.6780400000000006e-11 ] [ 1.3379e-10 2.45731e-10 2.6923e-10 ] [ 1.54349e-10 2.25116e-10 5.08137e-10 ] [ 1.6519200000000002e-10 2.3710399999999997e-10 8.002370000000001e-10 ] [ 7.237630000000001e-12 4.5849700000000005e-10 -3.03845e-12 ] [ 2.0129300000000002e-11 4.60391e-10 2.6561e-10 ] [ 4.1827e-11 4.4555600000000003e-10 4.65494e-10 ] [ 6.91588e-11 4.6529900000000003e-10 7.63588e-10 ] [ -1.10421e-10 6.82646e-10 1.67637e-12 ] [ -9.67401e-11 7.06783e-10 2.49662e-10 ] [ -8.45113e-11 6.78562e-10 5.328970000000001e-10 ] [ -8.2021e-11 7.12449e-10 7.28985e-10 ] [ 5.32205e-10 -1.18658e-11 -3.48466e-11 ] [ 5.81019e-10 -1.82185e-12 2.3447800000000004e-10 ] [ 5.54606e-10 -6.14118e-12 4.94528e-10 ] [ 5.57733e-10 -9.279e-12 7.37554e-10 ] [ 4.0191400000000005e-10 2.2274200000000002e-10 -5.02342e-11 ] [ 3.87092e-10 2.14677e-10 2.3178100000000003e-10 ] [ 4.1991300000000003e-10 2.1795200000000002e-10 4.72485e-10 ] [ 4.2530900000000005e-10 2.4327000000000003e-10 7.64504e-10 ] [ 2.7090800000000003e-10 4.53405e-10 9.8187e-12 ] [ 2.7920600000000003e-10 4.5540000000000005e-10 2.12947e-10 ] [ 3.06724e-10 4.75998e-10 5.21523e-10 ] [ 2.96735e-10 4.38657e-10 7.87584e-10 ] [ 1.26698e-10 7.07182e-10 -3.36983e-12 ] [ 1.3735200000000001e-10 7.04775e-10 2.13236e-10 ] [ 1.5165900000000001e-10 7.20053e-10 5.192389999999999e-10 ] [ 1.90047e-10 6.72082e-10 7.20278e-10 ] [ 8.045640000000001e-10 -2.7769100000000002e-11 -2.35238e-11 ] [ 7.99699e-10 -7.39306e-12 2.1822e-10 ] [ 8.045450000000001e-10 1.1620600000000002e-11 4.92256e-10 ] [ 8.221000000000001e-10 -1.3564599999999999e-11 7.47738e-10 ] [ 6.497020000000001e-10 2.1502400000000003e-10 -4.0209600000000004e-11 ] [ 6.6679e-10 1.98011e-10 2.4164300000000003e-10 ] [ 6.83305e-10 2.1766100000000004e-10 4.80135e-10 ] [ 6.96826e-10 1.9742500000000002e-10 7.32397e-10 ] [ 5.63388e-10 4.7883e-10 -4.50782e-11 ] [ 5.531990000000001e-10 4.4692299999999997e-10 2.2932800000000003e-10 ] [ 5.5418e-10 4.4960500000000007e-10 4.84509e-10 ] [ 5.751629999999999e-10 4.66616e-10 7.91371e-10 ] [ 3.98872e-10 6.71969e-10 -3.66761e-11 ] [ 3.98944e-10 6.642680000000001e-10 2.1528700000000001e-10 ] [ 4.2825100000000005e-10 6.79592e-10 5.293859999999999e-10 ] [ 4.2687099999999995e-10 6.64573e-10 7.50153e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.34460470000000004 0.5487029000000001 0.4148245000000001 ] [ -3.1882721000000007 3.330133800000001 -0.6985158000000001 ] [ -0.062390100000000025 -0.025228500000000015 -1.4517657000000002 ] [ 0.5009048000000001 0.30453240000000004 1.1774598000000003 ] [ -1.0181628000000003 -0.41982760000000013 0.4757286000000001 ] [ 0.36634340000000004 0.9096402000000002 0.19132900000000005 ] [ -0.03542930000000007 -0.06343310000000008 -9.625043100000001 ] [ 0.2676148000000001 0.41010880000000016 8.887143500000002 ] [ 8.681645100000003 -1.8149922000000005 1.9585613000000004 ] [ 0.14761050000000003 -0.15068210000000004 0.24966970000000005 ] [ -0.05430180000000004 -0.08089880000000003 -3.419873300000001 ] [ 0.6004708000000001 0.09135930000000003 2.2799610000000006 ] [ 0.3127460000000001 1.1628547000000002 -0.4910060000000001 ] [ 0.17624000000000004 -3.887241000000001 -0.27334520000000007 ] [ 0.22261640000000008 -1.1761822000000002 2.2790419000000006 ] [ 0.05793720000000001 0.27222310000000005 -1.2054831000000001 ] [ 1.1175036000000003 0.7230778000000001 8.279728300000002 ] [ 1.3934868000000002 0.3200162 -8.747118700000001 ] [ 1.1825543000000003 0.9526069000000003 9.484887300000002 ] [ -0.3646987000000001 1.8753118000000004 -8.848191700000001 ] [ 0.07679190000000022 0.3444636000000002 27.516122000000006 ] [ 0.08312310000000002 -0.5983469000000001 -0.5077248000000001 ] [ 0.019128500000000007 0.19959990000000005 0.4649640000000001 ] [ 0.29332319999999984 -3.418114100000001 -27.651681600000007 ] [ -0.3895556000000001 0.5683301000000001 0.011565800000000001 ] [ -1.1705572000000002 0.8841868000000003 -7.836748400000002 ] [ 0.5890509000000003 -0.49927950000000004 8.482111400000003 ] [ -2.5758295000000007 0.41227200000000014 -0.24684640000000005 ] [ -1.4458426000000002 -0.8480792000000003 0.26814660000000007 ] [ -1.5157217000000005 -0.5421955000000002 0.009666500000000001 ] [ -1.2647549000000002 -2.1005829000000005 -9.025436300000003 ] [ -2.4418230000000003 -2.0223336000000005 9.260910300000003 ] [ -1.1654602000000003 2.1194117000000006 0.06074440000000001 ] [ -7.133621400000002 0.8249505000000003 0.9670034000000002 ] [ -1.9095964000000005 3.041095500000001 -1.1171023000000002 ] [ 1.3781141000000001 3.5250885000000007 0.6605615000000001 ] [ 0.9159498000000004 -1.1163801000000002 9.802211000000002 ] [ 0.22474270000000005 0.4831932000000001 -0.014487500000000004 ] [ -0.025526100000000003 0.4096899000000001 0.33479410000000004 ] [ -0.08132490000000009 -0.2334067000000001 -9.309932200000002 ] [ -0.1839433000000001 -0.026431800000000043 -6.635702500000002 ] [ 0.41944280000000017 -0.2616192 7.417861500000002 ] [ -0.12727520000000003 -1.3937369000000002 -0.6950684000000001 ] [ 2.0951874000000004 1.3637382000000002 -1.2302766000000003 ] [ 0.9317606000000003 -3.225441800000001 -3.149047500000001 ] [ 2.1886812000000004 -4.935078100000001 2.8577479000000006 ] [ 1.2798817000000002 -2.8378368000000003 -5.209300200000001 ] [ -0.2792732 -0.9345084000000002 4.296725300000001 ] [ 0.9406694000000002 1.9168660000000004 -0.17511460000000004 ] [ 5.177678000000001 -0.12739710000000004 -0.17114740000000003 ] [ 1.7807104000000005 0.25527060000000007 -0.48885440000000013 ] [ 0.5518490000000001 0.5987257000000001 0.5084800000000002 ] [ 0.07361300000000001 0.002249400000000003 0.5074194000000001 ] [ 0.8427425000000002 4.389500700000001 -0.27197940000000004 ] [ -0.3532040000000001 1.1940449000000002 0.6938001000000001 ] [ -0.3178925000000001 0.7594291000000002 -0.2631646000000001 ] [ -5.223163400000001 0.23792290000000016 20.372163200000003 ] [ -0.34740960000000004 -0.22885260000000004 0.5074253000000001 ] [ 0.005759700000000001 -0.09544920000000003 0.015709700000000004 ] [ -3.932883800000001 -2.8230097000000005 -22.780956100000004 ] [ -0.026978199999999987 0.4607976000000001 2.9628988000000005 ] [ 0.23786420000000005 0.14959090000000003 -0.03270100000000001 ] [ 1.1494423000000002 1.0133479000000003 -2.9860125000000006 ] [ 0.6963161000000001 -0.16776820000000003 0.9022604000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.521175937577978e-10 8.791189581451605e-10 6.646221156350498e-10 ] [ -5.108175019368921e-09 5.335462518495865e-09 -1.119145684019409e-09 ] [ -9.995995958937413e-11 -4.0420512877852824e-11 -2.3259850634193468e-09 ] [ 8.025379598065001e-10 4.87914691556114e-10 1.8864985634918444e-09 ] [ -1.6312766343282667e-09 -6.726379654865743e-10 7.622012407659151e-10 ] [ 5.869468306643829e-10 1.4574042617798366e-09 3.065428506810433e-10 ] [ -5.676399615130956e-11 -1.016310298048686e-10 -1.542101902901236e-08 ] [ 4.28766175940068e-10 6.570667313443433e-10 1.4238773541394689e-08 ] [ 1.3909528809302882e-08 -2.907938069774359e-09 3.1379611252636557e-09 ] [ 2.3649809208459847e-10 -2.4141933779304773e-10 4.0001495626214986e-10 ] [ -8.700107442735751e-11 -1.296141660107751e-10 -5.479241047358146e-09 ] [ 9.620602772330729e-10 1.4637373455265349e-10 3.6529002105357897e-09 ] [ 5.01074329448717e-10 1.8630986137273984e-09 -7.86678333872525e-10 ] [ 2.823676076497921e-10 -6.228046649615214e-09 -4.379472888479003e-10 ] [ 3.5667079148666124e-10 -1.88445162264111e-09 3.6514276500036125e-09 ] [ 9.282562731461377e-11 4.361494864617006e-10 -1.931396839589509e-09 ] [ 1.7904381415798354e-09 1.1584983461794984e-09 1.3265587108836132e-08 ] [ 2.232611972353406e-09 5.127224739172569e-10 -1.4014429080502491e-08 ] [ 1.89466085228651e-09 1.5262445039927639e-09 1.519646468298284e-08 ] [ -5.843117307761532e-10 3.0045807226703664e-09 -1.417636587809661e-08 ] [ 1.2303418684681187e-10 5.518915266366032e-10 4.408568736348055e-08 ] [ 1.3317788746842052e-10 -9.586574143081557e-10 -8.13464804360356e-10 ] [ 3.064723549097281e-11 3.19794293294018e-10 7.449544503136513e-10 ] [ 4.699555733782423e-10 -5.476422498246835e-09 -4.430287778532555e-08 ] [ -6.241368748217166e-10 9.105651991169262e-10 1.8530454360848644e-11 ] [ -1.87543937914911e-09 1.4166234193799658e-09 -1.255585506957181e-08 ] [ 9.437635804411992e-10 -7.999339421447137e-10 1.3589840580101161e-08 ] [ -4.126933804066955e-09 6.605325598104579e-10 -3.954915310086452e-10 ] [ -2.3164952110766864e-09 -1.3587726668267678e-09 4.296182134670094e-10 ] [ -2.428453871379232e-09 -8.686929540029667e-10 1.5487440304963202e-11 ] [ -2.0263607318222423e-09 -3.365504812432265e-09 -1.446034303237966e-08 ] [ -3.912231722731719e-09 -3.2401356133783e-09 1.4837613969985918e-08 ] [ -1.867273084912893e-09 3.3956718755899844e-09 9.732325752452354e-11 ] [ -1.1429321428718569e-08 1.3217164044172708e-09 1.549310239714111e-09 ] [ -3.059510707243846e-09 4.872372111720088e-09 -1.7897951881019082e-09 ] [ 2.2079821918148335e-09 5.647814380950942e-09 1.0583361919005795e-09 ] [ 1.4675133553864364e-09 -1.7886380961463665e-09 1.570487329634859e-08 ] [ 3.6007749963546827e-10 7.741608483695387e-10 -2.321153379384001e-11 ] [ -4.0897320640202884e-11 6.563955795578901e-10 5.363992798017774e-10 ] [ -1.3029685346889807e-10 -3.7395875787807956e-10 -1.4916155712073112e-08 ] [ -2.947096548128008e-10 -4.234841200566151e-11 -1.0631567408084115e-08 ] [ 6.720214479228905e-10 -4.1916016579239936e-10 1.1884724271632422e-08 ] [ -2.0391734984764423e-10 -2.233012676726268e-09 -1.113622340336863e-09 ] [ 3.3568602684747386e-09 2.184949460931875e-09 -1.971120405637314e-09 ] [ 1.4928450495025809e-09 -5.167727443711071e-09 -5.045330282288689e-09 ] [ 3.50665384902449e-09 -7.906866753642087e-09 4.578616873520297e-09 ] [ 2.0505965371297596e-09 -4.546715774605886e-09 -8.346218991168766e-09 ] [ -4.474449918560026e-10 -1.497247510421215e-09 6.8841128216598685e-09 ] [ 1.5071185205819638e-09 3.0711578904064136e-09 -2.8056451808074373e-10 ] [ 8.295554641630505e-09 -2.0411265517771975e-10 -2.74208362990706e-10 ] [ 2.8530125712954173e-09 4.089885872975886e-10 -7.832310906552117e-10 ] [ 8.841595660118594e-10 9.592643188121147e-10 8.146747681443843e-10 ] [ 1.1794102758695042e-10 3.603936090827525e-12 8.129754996203636e-10 ] [ 1.3502223308545443e-09 7.032755398525237e-09 -4.357590360192116e-10 ] [ -5.658951911730433e-10 1.913070822965474e-09 1.1115902997287023e-09 ] [ -5.093199314276642e-10 1.2167395491751857e-09 -4.216361695421838e-10 ] [ -8.36843028609824e-09 3.811945079329366e-10 3.263980359416212e-08 ] [ -5.566115389614797e-10 -3.666622853292942e-10 8.129849524624264e-10 ] [ 9.228056682821762e-12 -1.529264767140634e-10 2.5169714059781766e-11 ] [ -6.301174476683065e-09 -4.522960141631623e-09 -3.6499115262891156e-08 ] [ -4.322384131126654e-11 7.382791416407502e-10 4.747087187156376e-09 ] [ 3.8110046016529544e-10 2.396710426644308e-10 -5.239277767678082e-11 ] [ 1.8416095800185803e-09 1.6235623141167769e-09 -4.7841194169165616e-09 ] [ 1.115621376106635e-09 -2.687942877536986e-10 1.4455805187536567e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -197.61796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.166188753621896e-17 } }