{ "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" [ [ 1.7068937 0.7439831000000001 0.2172692 ] [ -2.329698 1.1217865000000002 -0.3725814 ] [ -0.249181 0.7505617000000002 -0.8162413 ] [ 1.1850182 0.31747310000000006 0.7757359 ] [ 2.8674489 -1.4397080000000002 -8.9772108 ] [ 0.4914037 -0.06384790000000003 10.3473948 ] [ -0.4243328 -0.12531190000000003 -0.6767101 ] [ -0.8278861 -0.09194660000000002 -0.8770332 ] [ -0.9395949 2.0459020000000003 -3.0758105 ] [ 0.5906163 0.14677750000000003 3.1061362 ] [ -0.1418633 -0.33387350000000005 -0.3825857 ] [ 0.8474296 0.10395380000000003 0.0330961 ] [ 0.5931941 0.4406249000000001 -2.4095575 ] [ -0.2704742 -1.1336874000000001 1.2182789 ] [ 0.4674594 -1.1186529000000003 0.6935135 ] [ 0.1175187 -0.10916320000000003 -0.6730463 ] [ 0.3572165 0.35270140000000005 -0.3263621 ] [ 1.9858021 -0.0167108 -3.9048098 ] [ 0.2823852 0.8711219000000002 3.9514714 ] [ -0.486012 -2.9084812000000007 0.2915068 ] [ -0.0060076 0.10514810000000002 2.6158358 ] [ -0.6172885 0.7166179000000001 0.3817261 ] [ -0.3717273 0.3532526000000001 -0.5039785 ] [ -3.3127178 0.3950448000000001 -1.5554772 ] [ 2.5417279 -0.9870063000000002 -0.4168957 ] [ 0.0420522 -0.6246999000000001 0.6537309 ] [ 0.2480745 1.3076611000000002 -4.8659722 ] [ -0.8296224 0.16347560000000003 4.1247989 ] [ -0.4256623 2.0321841000000003 -1.6875867 ] [ 0.8621689 0.25999810000000007 1.4733618 ] [ 0.5223773 -0.6854574000000001 0.5358956 ] [ -0.1359724 -0.6027429000000001 0.0845202 ] [ -0.6830911 0.3561328000000001 1.3392544 ] [ 0.2109622 -1.6928206000000003 -0.4006993 ] [ 1.2258453 -0.23727840000000006 0.3315285 ] [ -0.7909096 -0.9990816000000002 -0.0166148 ] [ 0.398646 -0.5429107000000001 -1.1066251 ] [ -0.4899156 0.3861003000000001 -0.5972048 ] [ 0.8672893 -0.09119580000000001 0.828339 ] [ 4.021433 2.4525303000000003 0.1286209 ] [ -0.132301 -0.7104888000000001 -0.4836365 ] [ -2.0066304 -0.20210110000000006 -9.996744 ] [ -0.6899766 -0.6772717000000001 10.1792578 ] [ 0.997094 -1.0629526000000002 -0.7912396 ] [ -2.55978 2.2739081000000003 11.4268726 ] [ -0.502877 0.9436099000000002 0.3963497 ] [ -0.1233355 0.03181490000000001 0.6466161 ] [ 0.878902 -0.9528989000000002 -11.1875461 ] [ -0.5990551 -0.5820484000000001 1.1667654 ] [ -0.2842884 0.30253870000000005 -0.6236304 ] [ -0.5464729 0.6172014000000001 -0.0146197 ] [ -1.1502775 -0.28536160000000005 -1.0467789 ] [ -2.1248028 -1.3672121000000002 -3.1309813 ] [ -0.1375857 0.36952710000000005 3.89505 ] [ 0.3996859 -0.03618550000000001 0.1736227 ] [ 1.0330579 -0.27544910000000006 -0.9178564 ] [ -2.0313788 1.2721437000000002 4.3341872 ] [ 1.2835922 -1.8082941000000003 0.0570293 ] [ 0.918778 0.13608660000000003 0.3934772 ] [ -1.3014536 0.4041403000000001 -4.0661133 ] [ 1.0909544 -1.7208629000000004 0.0746725 ] [ -0.8549269 1.5012834000000004 -6.6566085 ] [ -0.0307757 0.5171489000000001 6.8847247 ] [ -0.6271524 -0.3067307000000001 -0.2018829 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.734745180330809e-09 1.1919923290903087e-09 3.4810363265991936e-10 ] [ -3.732587669124519e-09 1.7973001038290596e-09 -5.969412084249332e-10 ] [ -3.992319725475648e-10 1.2025324082079037e-09 -1.307762727791399e-09 ] [ 1.8986084552624985e-09 5.086479785529006e-10 1.2428659228952468e-09 ] [ 4.5941595889186775e-09 -2.306666498378727e-09 -1.4383077263753265e-08 ] [ 7.87315519514617e-10 -1.0229561266717636e-10 1.6578354034747493e-08 ] [ -6.798560915986022e-10 -2.007717964880276e-10 -1.0842091012792301e-09 ] [ -1.326419754105291e-09 -1.473146928820493e-10 -1.4051620887054106e-09 ] [ -1.505396981802914e-09 3.2778963528479623e-09 -4.9279916731111585e-09 ] [ 9.46271627723399e-10 2.3516347895947207e-10 4.976578800660553e-09 ] [ -2.2729006260953664e-10 -5.349243160046689e-10 -6.129698639924025e-10 ] [ 1.3577318928938957e-09 1.6655234800331908e-10 5.302579765965889e-11 ] [ 9.504017186164972e-10 7.059589133223381e-10 -3.860536692973296e-09 ] [ -4.333474397695834e-10 -1.8163674475755382e-09 1.9518979711939414e-09 ] [ 7.489525218531956e-10 -1.7922795231701208e-09 1.1111311159091809e-09 ] [ 1.8828571364680897e-10 -1.7489872689171462e-10 -1.078339046575943e-09 ] [ 5.723239248640032e-10 5.650899372034292e-10 -5.228897265351916e-10 ] [ 3.1816056981555436e-09 -2.6773653074864644e-11 -6.256194970230724e-09 ] [ 4.5243096549993216e-10 1.3956911420468759e-09 6.330955094839845e-09 ] [ -7.786770638282497e-10 -4.65990058067633e-09 4.670453797642215e-10 ] [ -9.625236267118081e-12 1.6846582754154053e-10 4.191030962611665e-09 ] [ -9.89005202988701e-10 1.1481484454267925e-09 6.115926329691629e-10 ] [ -5.955727893731078e-10 5.659730569568143e-10 -8.074625700858529e-10 ] [ -5.307559010468011e-09 6.32931542728612e-10 -2.4921492040274457e-09 ] [ 4.072297017815081e-09 -1.5813584184423114e-09 -6.679405438520506e-10 ] [ 6.737505169320576e-11 -1.0008795747960981e-09 1.0473923642745427e-09 ] [ 3.9745916411664963e-10 2.0951040423496112e-09 -7.796146896302742e-09 ] [ -1.329201613371986e-09 2.619167843912525e-10 6.608656363081557e-09 ] [ -6.819861854159558e-10 3.25591785418149e-09 -2.7038119563130236e-09 ] [ 1.3813468547608531e-09 4.165628772724206e-10 2.3605858299398055e-09 ] [ 8.36940697296628e-10 -1.0982238208343541e-09 8.585994015095885e-10 ] [ -2.178518003540659e-10 -9.657005827331925e-10 1.3541628842534016e-10 ] [ -1.0944325902965549e-09 5.705876460600423e-10 2.1457220889835314e-09 ] [ 3.3799870471253374e-10 -2.712197588528629e-09 -6.419910504309254e-10 ] [ 1.964020680377562e-09 -3.801619051008308e-10 5.311672118288928e-10 ] [ -1.2671768702862796e-09 -1.6007051817914577e-09 -2.661984411926784e-11 ] [ 6.387013011754369e-10 -8.698388307221627e-10 -1.7730088632104622e-09 ] [ -7.849313204852045e-10 6.186008739438664e-10 -9.568275683895398e-10 ] [ 1.3895506399299975e-09 -1.4611177867515265e-10 1.3271453798968514e-09 ] [ 6.443045934713607e-09 3.929386708463611e-09 2.0607339892625475e-10 ] [ -2.1196956910846082e-10 -1.1383285447002473e-09 -7.748710932655393e-10 ] [ -3.2149763134665525e-09 -3.23801657457963e-10 -1.6016549520922674e-08 ] [ -1.1054643774190733e-09 -1.0851088836694716e-09 1.6308968864256042e-08 ] [ 1.5975206955399554e-09 -1.7030378047385745e-09 -1.2677055885711439e-09 ] [ -4.101219670391424e-09 3.643202395667749e-09 1.830786812858011e-08 ] [ -8.056977725380417e-10 1.5118297209354264e-09 6.350222230010938e-10 ] [ -1.9760525461467842e-10 5.097308897308993e-11 1.035993198052875e-09 ] [ 1.4081562363743615e-09 -1.5267123395660376e-09 -1.792442480554222e-08 ] [ -9.59792075791006e-10 -9.32544338654047e-10 1.8693642458383604e-09 ] [ -4.554802280446387e-10 4.847204320272251e-10 -9.991660469001524e-10 ] [ -8.755461042807764e-10 9.888656534050294e-10 -2.342334154310976e-11 ] [ -1.8429477179322721e-09 -4.5719968399408135e-10 -1.6771246807267413e-09 ] [ -3.4043093699703783e-09 -2.190515262294872e-09 -5.016385039021992e-09 ] [ -2.2043659189640257e-10 5.920476803720238e-10 6.24055804684704e-09 ] [ 6.403674046434067e-10 -5.797556211195842e-11 2.7817423078017215e-10 ] [ 1.6551412153127442e-09 -4.413181082404014e-10 -1.4705680653316533e-09 ] [ -3.2546276213487595e-09 2.0381988944380093e-09 6.944133402010613e-09 ] [ 2.056541413481238e-09 -2.897206530550578e-09 9.137101116058944e-11 ] [ 1.4720446313053824e-09 2.1803476892416134e-10 6.304199706578458e-10 ] [ -2.085158530975995e-09 6.475041401830984e-10 -6.514631666783936e-09 ] [ 1.7479016340388915e-09 -2.757126305982089e-09 1.19638533716688e-10 ] [ -1.3697438916730196e-09 2.4053211646751354e-09 -1.0665062512518556e-08 ] [ -4.9308107028754564e-11 8.285638770524373e-10 1.1030544954984294e-08 ] [ -1.00480891295861e-09 -4.914367564216187e-10 -3.234520625193043e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -95.10755992523406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.52379108973545e-17 } }