{ "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" [ [ 0.3778960000000001 -2.0326016000000005 -1.3652538000000003 ] [ -2.1275312000000004 2.9790615000000003 -0.5982983000000001 ] [ 0.02174889999999999 -0.15444450000000004 -1.6653112000000005 ] [ -1.6524987000000004 -0.4796745000000001 2.5549108000000005 ] [ 2.0502342000000002 0.36074750000000005 -2.5010079000000003 ] [ 0.10188980000000003 -2.4128844000000003 -0.4015082000000001 ] [ -0.8308915000000004 -2.2703473000000005 -37.423891700000006 ] [ 0.1626954000000003 -0.23386809999999983 38.12916140000001 ] [ 27.187313400000008 -3.132458600000001 7.561364500000002 ] [ -1.9725583000000004 1.3251195000000002 -1.7153487000000005 ] [ 1.4430795000000003 -1.5331407000000004 -5.800037100000001 ] [ -2.8139880000000006 0.02627980000000005 7.9417205000000015 ] [ -1.7887400000000004 -0.22832040000000006 -2.3369971000000005 ] [ 0.8951713000000002 -2.7671252000000006 -1.7043944000000004 ] [ -1.0000582000000002 3.1765985000000008 0.20058770000000006 ] [ -1.1854735000000003 -0.5512761000000002 3.707819700000001 ] [ -1.9020492000000002 -6.981064400000002 33.14852100000001 ] [ -4.643424900000001 -6.364991500000002 -36.586421400000006 ] [ 4.238945700000001 4.584891200000001 37.24715290000001 ] [ 2.2631404 3.399411900000001 -33.722547500000005 ] [ -7.6537697 18.956424200000004 258.01614550000005 ] [ -0.006650799999999986 1.4482383000000003 2.0611029000000003 ] [ -1.4422870000000003 -0.8350126000000002 -1.9902788000000005 ] [ 7.0560515 -14.109629000000005 -259.16437030000003 ] [ 2.2551819000000006 -1.0182316000000002 -1.3375494000000003 ] [ -1.6149517000000007 2.3822877000000005 -30.629063700000007 ] [ 3.2545767000000008 -3.689343600000001 29.968651500000007 ] [ 1.9626643000000004 -1.0636665000000003 2.0996255000000006 ] [ 1.8383424000000004 2.0718509000000003 0.8831110000000002 ] [ 1.5483129000000004 1.6163883000000003 -1.3422248000000003 ] [ 1.7928438000000002 -4.516491500000001 -36.79364730000001 ] [ -2.2399237 2.9830595000000004 36.414643600000005 ] [ 0.5002252000000001 0.0454365 -1.0599282000000003 ] [ -7.351074800000002 -3.7447972000000007 0.9516699000000002 ] [ -0.41578710000000013 1.8012948000000004 0.3927659000000001 ] [ 4.537705700000001 5.1002923000000004 -0.15649210000000002 ] [ 3.7995852000000014 -2.3885955000000005 32.57175600000001 ] [ -0.7981728000000002 0.5206754000000001 2.5117576000000006 ] [ 0.3948312000000001 -1.8769242000000004 -1.5017433000000004 ] [ -4.278337500000001 3.074254500000001 -31.93538450000001 ] [ -2.0378899000000006 -0.2989851000000002 -27.648676700000006 ] [ 0.3333716000000002 -0.10345479999999989 24.460140900000006 ] [ 0.7670234000000002 1.1911669000000003 2.1617285000000006 ] [ 0.2526997000000001 0.05759930000000002 1.1948294000000002 ] [ -0.6706362000000001 -0.5540863000000001 -4.850127100000001 ] [ 1.7062261000000005 -2.1053304000000006 3.951638800000001 ] [ -2.0698121000000005 2.7751662000000006 -9.350662400000001 ] [ 3.293221000000001 -2.4582904000000005 12.032125400000004 ] [ 0.5828963000000001 -1.1740408000000002 0.07610020000000002 ] [ 2.6265854000000006 0.011800599999999998 -0.9966157000000002 ] [ -2.0292742000000006 0.9863998000000003 2.1958155000000006 ] [ -0.11253320000000003 -0.5411049000000001 -0.9009804000000002 ] [ -1.3461847000000002 0.30821450000000006 -1.7744516000000004 ] [ 3.243763700000001 3.199300700000001 1.6498384000000004 ] [ -0.4429584000000001 -2.3759969000000005 0.7662705000000002 ] [ 1.5294448000000005 -2.3177412000000004 0.33516760000000007 ] [ 3.717312400000002 22.933062100000004 180.63278160000002 ] [ 1.2502138000000003 1.9183793000000005 -0.35207620000000006 ] [ -1.0292327000000001 0.10849420000000003 -1.1860350000000002 ] [ -33.13512430000001 -14.914028700000005 -187.51810310000002 ] [ 1.3640380000000003 -0.35142170000000006 2.3394039000000006 ] [ 0.34878870000000006 -0.18249010000000004 -3.459183800000001 ] [ 0.33228810000000003 0.5804522000000001 -1.4906321000000002 ] [ -0.4384943000000001 -0.1604873 3.100935100000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.05456136293837e-10 -3.256586762920674e-09 -2.1873777198183595e-09 ] [ -3.40868074866257e-09 4.772982687225379e-09 -9.585795485243847e-10 ] [ 3.484557910811711e-11 -2.4744736711114567e-10 -2.668122670996394e-09 ] [ -2.6475947830423936e-09 -7.685232694939298e-10 4.093418351989426e-09 ] [ 3.2848373024045917e-09 5.779812105120481e-10 -4.007056385816105e-09 ] [ 1.632454554579879e-10 -3.865866974373036e-09 -6.432870510994907e-10 ] [ -1.331234935721444e-09 -3.6374973651564046e-09 -5.995968434109118e-08 ] [ 2.606667661917048e-10 -3.746980021709162e-10 6.108965096578981e-08 ] [ 4.355887791184257e-08 -5.018751934543901e-09 1.2114641423247085e-08 ] [ -3.1603867914249936e-09 2.123075482666186e-09 -2.748291583659674e-09 ] [ 2.312068236855754e-09 -2.456362185936947e-09 -9.292683841392633e-09 ] [ -4.508505784811752e-09 4.2104881159299924e-11 1.272403891402809e-08 ] [ -2.865877408689793e-09 -3.6580960693170444e-10 -3.7442821164974e-09 ] [ 1.4342225284711435e-09 -4.433423302266525e-09 -2.7307408603024442e-09 ] [ -1.602269867479331e-09 5.08947185036835e-09 3.2137692336004426e-10 ] [ -1.8993379262779493e-09 -8.832416790258032e-10 5.940582037481671e-09 ] [ -3.0474187598513437e-09 -1.1184898169979183e-08 5.3109785360297857e-08 ] [ -7.4395868152205805e-09 -1.0197840572890727e-08 -5.861790900581682e-08 ] [ 6.791539697380693e-09 7.345805489551659e-09 5.967651756774294e-08 ] [ 3.625950638467961e-09 5.446458270649309e-09 -5.4029477198317495e-08 ] [ -1.226269087432743e-08 3.0371539667207354e-08 4.1338743610903123e-07 ] [ -1.0655756269616619e-11 2.3203335456071373e-09 3.302250879443081e-09 ] [ -2.3107985118837704e-09 -1.3378376657934224e-09 -3.1887781622338797e-09 ] [ 1.130504074846077e-08 -2.2606117711961694e-08 -4.1522709503901396e-07 ] [ 3.6131997158313248e-09 -1.6313868640797778e-09 -2.1429903778450683e-09 ] [ -2.5874378574612163e-09 3.816845656959405e-09 -4.907316977713396e-08 ] [ 5.214406699340417e-09 -5.910980062018108e-09 4.8015072790202866e-08 ] [ 3.1445348559387982e-09 -1.7041815986281637e-09 3.3639708885355114e-09 ] [ 2.9453492143053626e-09 3.3194710737634393e-09 1.4148997977713092e-09 ] [ 2.480670730063049e-09 2.5897395443946574e-09 -2.1504811944179563e-09 ] [ 2.8724524211062316e-09 -7.236217089341925e-09 -5.894992149802106e-08 ] [ -3.5887533845158327e-09 4.7793881893553384e-09 5.8342690630684356e-08 ] [ 8.014491205750044e-10 7.27972980309792e-11 -1.6981921817666271e-09 ] [ -1.177772018231204e-08 -5.999826523477303e-09 1.5247432644990743e-09 ] [ -6.661643708502319e-10 2.8859924157286125e-09 6.292803424274709e-10 ] [ 7.2702059846109005e-09 8.171569082306261e-09 -2.5072798395989575e-10 ] [ 6.087606576177695e-09 -3.826951866648087e-09 5.218570596160214e-08 ] [ -1.2788137995184746e-09 8.342139529056885e-10 4.024279303836719e-09 ] [ 6.325893178024092e-10 -3.007164072253744e-09 -2.4060580057030414e-09 ] [ -6.854652318391922e-09 4.925498686289195e-09 -5.1166126422158716e-08 ] [ -3.265059553544451e-09 -4.790269371875504e-10 -4.429806340479771e-08 ] [ 5.341201835586896e-10 -1.6575286186953967e-10 3.918946589145388e-08 ] [ 1.2289069590865272e-09 1.908459758650812e-09 3.463470863217054e-09 ] [ 4.048695514231739e-10 9.228425183444548e-11 1.914327730524492e-09 ] [ -1.0744776407021531e-09 -8.877441157655753e-10 -7.770760247528505e-09 ] [ 2.733675567218764e-09 -3.3731111459395136e-09 6.331223299206169e-09 ] [ -3.3162045560689526e-09 4.446306404474378e-09 -1.498141268627362e-08 ] [ 5.2763216933275984e-09 -3.938615406017082e-09 1.9277590014413854e-08 ] [ 9.339028242108233e-10 -1.881020721625329e-09 1.219259612782042e-10 ] [ 4.2082537204146175e-09 1.8906645431412476e-11 -1.596754374462227e-09 ] [ -3.2512556804326245e-09 1.5803866983217963e-09 3.5180842576902634e-09 ] [ -1.8029806210381062e-10 -8.669456201803221e-10 -1.4435297326790328e-09 ] [ -2.1568256536186622e-09 4.938140660915617e-10 -2.842984868261154e-09 ] [ 5.197082363539707e-09 5.1258447844490765e-09 2.6433325125780792e-09 ] [ -7.096975924669748e-10 -3.8067666842732764e-09 1.2277006803087267e-09 ] [ 2.4504407013641328e-09 -3.7134307637049376e-09 5.369976927696462e-10 ] [ 5.955791019489942e-09 3.674281593997456e-08 2.8940561962959243e-07 ] [ 2.0030633213615275e-09 3.0735824642866702e-09 -5.640882563801051e-10 ] [ -1.6490125693028604e-09 1.7382687073239941e-10 -1.9002375484505283e-09 ] [ -5.308832148076198e-08 -2.3894908105080224e-08 -3.0043712076358405e-07 ] [ 2.185429793482791e-09 -5.630396317817915e-10 3.748138235188342e-09 ] [ 5.588211007392251e-10 -2.923813717474542e-10 -5.542223411410105e-09 ] [ 5.323842251900526e-10 9.29986944331926e-10 -2.3882559008340083e-09 ] [ -7.025453158140617e-10 -2.5712899999531584e-10 4.968245719838112e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -619.58003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.926766387805626e-17 } }