{ "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" [ [ 6.8702567 4.9213152000000004 3.7193326 ] [ -11.6967501 8.708048300000002 -4.4189912 ] [ -3.5406743 4.582901200000001 -1.503982 ] [ 3.4169399 -0.04419750000000001 0.0232074 ] [ 11.1234444 -7.318861700000002 -8.5083485 ] [ 5.70861 -5.979119200000001 25.2248327 ] [ -8.2180236 0.21902730000000006 -8.5690505 ] [ -3.5663148 0.7767605000000002 -2.3891016 ] [ -1.6296279 7.639483900000002 -11.1434294 ] [ 1.4208454 -0.5233425000000002 16.6292332 ] [ -0.7689519 -2.0764397000000003 -4.6178251 ] [ 5.0033613 1.4996426000000003 -2.3913309 ] [ 0.3318303 2.7434201000000003 -8.5975683 ] [ 1.055596 -3.570064200000001 3.5310975 ] [ 1.966577 -9.244948500000001 7.3445165 ] [ 4.6875893 -0.4754906000000001 0.5049598 ] [ 4.553967 -2.8642146000000004 -0.1485069 ] [ 8.3328708 3.490045400000001 -9.8512562 ] [ 1.9044439 1.7526436000000005 8.1514801 ] [ 0.1602717 -10.415521300000002 0.9855331 ] [ -2.9070356 2.0203688000000004 7.5939842 ] [ -5.4677082 5.306491600000001 -0.1942273 ] [ -3.7261353 5.351405000000001 -5.1397355 ] [ -6.0784798 0.6339082000000001 -4.5799459 ] [ 12.7920801 -0.27648190000000006 -5.3308011 ] [ 0.969932 -4.4364056000000005 8.6408936 ] [ 0.7647663 4.413343800000001 -10.0923917 ] [ -2.4526043 6.928974700000002 5.5852476 ] [ 1.0828671 10.730973900000002 -9.228883 ] [ 8.3075354 3.613401800000001 4.1431116 ] [ 6.6856194 -6.699817200000002 2.8746093 ] [ 2.9110939 -4.102207900000001 -0.9683754 ] [ -4.6977495 -0.5450570000000001 5.29539 ] [ 3.7813563 -8.925558000000002 -1.3869871 ] [ 10.5224513 -3.1904030000000008 -0.6823846 ] [ 2.0166622 -5.7195027000000005 -4.5024812 ] [ 1.9471899 -2.4621864000000007 -3.3933612 ] [ -0.2977503 -1.2275498000000002 -1.0411378 ] [ 4.4021163 -0.21004320000000007 6.9978788 ] [ 12.1788316 7.4311421000000015 1.6481064 ] [ 0.3308643 -1.8503187000000005 3.777445 ] [ -9.1891191 -4.334656000000001 -14.2545509 ] [ -7.4296723 -0.5393216000000001 19.1497932 ] [ 7.596747 -0.7958657000000002 -6.3169011 ] [ -9.763608 3.952920300000001 13.2480294 ] [ -3.0993999 6.889015600000001 -1.9799021 ] [ -3.7752312 5.169425100000001 7.5251847 ] [ -3.1041277 3.860312400000001 -21.2818566 ] [ -6.3906817 -1.4846047000000002 7.8338535 ] [ -3.3440117 4.720620900000001 -1.3877 ] [ -8.8236036 2.7488448000000005 2.9973984 ] [ -6.5571855 -3.1736709000000007 -10.0336089 ] [ -11.9653334 -7.9688807000000015 -5.9370426 ] [ 1.5933707 -3.030873100000001 14.077382 ] [ 6.107782 -3.722935000000001 -1.5160749 ] [ 1.8464986 -0.7857683000000002 -6.3646039 ] [ -9.5591877 2.2105493000000003 3.7437302 ] [ 2.8890721 -6.737457600000002 -2.3389404 ] [ 7.6212288 1.2281859000000002 8.2497116 ] [ -7.9685916 0.13736840000000003 -12.0662187 ] [ 3.9488647 -6.150462000000002 4.9172682 ] [ -3.6610927 8.428446300000001 -12.2659451 ] [ -3.6381058 2.5914520000000003 16.4920877 ] [ -3.5167763 -3.818212400000001 -6.4818503 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1007364754321948e-08 7.884816221989038e-09 5.959027785794469e-09 ] [ -1.8740259703957162e-08 1.3951831514003424e-08 -7.08000444649162e-09 ] [ -5.6727856320643065e-09 7.3426172185705625e-09 -2.409644818356588e-09 ] [ 5.474541267562296e-09 -7.081220178121501e-11 3.7182354015891596e-11 ] [ 1.782172270727815e-08 -1.1726109203217521e-08 -1.3631877160628949e-08 ] [ 9.14620155461874e-09 -9.579605074140774e-09 4.041463754849913e-08 ] [ -1.3166725389580563e-08 3.5092042226810833e-10 -1.3729132486666017e-08 ] [ -5.7138662420483825e-09 1.2445075233141572e-09 -3.827762759772015e-09 ] [ -2.6109517434944885e-09 1.2239802600399196e-08 -1.785374220730864e-08 ] [ 2.2764453004063836e-09 -8.384871250791452e-10 2.6642968874377052e-08 ] [ -1.2319967668499047e-09 -3.3268231692499703e-09 -7.398571475118714e-09 ] [ 8.016268566319864e-09 2.402692333071009e-09 -3.83133449214219e-09 ] [ 5.316507531132102e-10 4.395443581465944e-09 -1.3774823039479103e-08 ] [ 1.691251246143864e-09 -5.719873443119904e-09 5.657441906875815e-09 ] [ 3.150803718361818e-09 -1.4812040469233352e-08 1.1767212724327462e-08 ] [ 7.510346046248416e-09 -7.618199290066405e-10 8.090347926693132e-10 ] [ 7.296259519407078e-09 -4.588977706881657e-09 -2.379342851677746e-10 ] [ 1.3350730889900888e-08 5.591669191479185e-09 -1.578345249918763e-08 ] [ 3.0512555173438324e-09 2.8080446236496433e-09 1.3060110948735984e-08 ] [ 2.567835728314578e-10 -1.6687504857789307e-08 1.5789981048535855e-09 ] [ -4.657584512526171e-09 3.23698768342262e-09 1.2166904044205184e-08 ] [ -8.760234319570199e-09 8.501936850037276e-09 -3.111864417449082e-10 ] [ -5.9699269127825805e-09 8.57389605007077e-09 -8.234764123040307e-09 ] [ -9.738798305800993e-09 1.015632906140999e-09 -7.337882305964101e-09 ] [ 2.0495171836476383e-08 -4.429728399039247e-10 -8.540884962921498e-09 ] [ 1.554002386968888e-09 -7.1079053912667515e-09 1.3844237822800143e-08 ] [ 1.2252906963306343e-09 7.07095631416877e-09 -1.6169794162915537e-08 ] [ -3.929505301907926e-09 1.1101441361917163e-08 8.948553199824578e-09 ] [ 1.7349443653473415e-09 1.7192915642643857e-08 -1.4786300700519821e-08 ] [ 1.3310139104007845e-08 5.789307933213543e-09 6.637996597574354e-09 ] [ 1.07115431864971e-08 -1.0734290569911307e-08 4.605631852339096e-09 ] [ 4.664086625959933e-09 -6.572461645190209e-09 -1.5515084388204037e-09 ] [ -7.526624481285182e-09 -8.732775895981382e-10 8.484150125917261e-09 ] [ 6.058400708688694e-09 -1.4300320473011775e-08 -2.2221983232794216e-09 ] [ 1.6858825605262923e-08 -5.111589139643503e-09 -1.0933006615214364e-09 ] [ 3.2310490555110346e-09 -9.163653584039913e-09 -7.213770173664281e-09 ] [ 3.1197421597407967e-09 -3.944857518632578e-09 -5.4367640253622015e-09 ] [ -4.770485734264903e-10 -1.9667516066313735e-09 -1.6680866559341651e-09 ] [ 7.052967876010535e-09 -3.3652630717058894e-10 1.1211837900923958e-08 ] [ 1.9512639418940836e-08 1.1906002236553694e-08 2.6405575644258577e-09 ] [ 5.301030504847662e-10 -2.9645373865932566e-09 6.052134115220131e-09 ] [ -1.4722591909063108e-08 -6.944884559627905e-09 -2.283830838014367e-08 ] [ -1.1903647357337039e-08 -8.640884657314945e-10 3.068135121097209e-08 ] [ 1.2171330537809597e-08 -1.2751174283420542e-09 -1.0120791341708898e-08 ] [ -1.5643024601135472e-08 6.333276540724272e-09 2.122568315122504e-08 ] [ -4.965786099201936e-09 1.1037419825581493e-08 -3.1721528822275317e-09 ] [ -6.0485872165877804e-09 8.282332106433115e-09 1.20566750928743e-08 ] [ -4.973360869892161e-09 6.184902327220463e-09 -3.4097293372658685e-08 ] [ -1.0239000895071398e-08 -2.3785989610665803e-09 1.255121703187912e-08 ] [ -5.3576974095626176e-09 7.563268503952051e-09 -2.2233405150017998e-09 ] [ -1.4136971515598282e-08 4.404134909052404e-09 4.802361679268985e-09 ] [ -1.0505769392903607e-08 -5.084781359985752e-09 -1.6075613734274443e-08 ] [ -1.9170577591499777e-08 -1.2767554456673566e-08 -9.512190928782609e-09 ] [ 2.5528613048402236e-09 -4.855994061439146e-09 2.255445250829219e-08 ] [ 9.785745605965788e-09 -5.964799466900792e-09 -2.429019780173887e-09 ] [ 2.9584169116337126e-09 -1.2589396099979026e-09 -1.0197219653245273e-08 ] [ -1.5315507172960202e-08 3.5416904367650566e-09 5.998117050440146e-09 ] [ 4.628803812561312e-09 -1.0794597139285721e-08 -3.747395657198614e-09 ] [ 1.221055470572786e-08 1.967770751188261e-09 1.3217495162758753e-08 ] [ -1.2767091267408674e-08 2.2008844072996566e-10 -1.9332213661873857e-08 ] [ 6.32677875316742e-09 -9.854126504704911e-09 7.878332213151238e-09 ] [ -5.865717178847972e-09 1.3503859722783757e-08 -1.9652210633146792e-08 ] [ -5.828888104779877e-09 4.151963842532569e-09 2.64232375588188e-08 ] [ -5.634496814864975e-09 -6.117450690929063e-09 -1.038506909574589e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2953.577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.732152056119818e-16 } }