{ "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" [ [ 6.1053969 0.6946541000000002 3.001753 ] [ -8.53406 4.894416800000001 -1.8998055 ] [ 0.4218475 0.9498280000000002 -2.3107049 ] [ 2.8946681 1.2733418000000003 -0.2639212 ] [ 5.7541692 -5.591623000000001 -58.1077993 ] [ 5.4284541 -1.7942130000000005 61.7343585 ] [ -2.9422333 -1.2699222000000001 -3.6333136 ] [ 0.0452189 1.3788315000000002 3.2351108 ] [ -3.8438125 4.890046000000001 -9.2856046 ] [ -2.5715524 1.1925697000000002 12.0675701 ] [ -0.1482467 -0.9728151000000003 -3.5893512 ] [ 2.4941136 2.0072167000000003 1.401556 ] [ -1.9772914 1.7685030000000004 -7.2642868 ] [ 1.81503 -4.537409600000001 4.2888713 ] [ 0.9993811 -3.391951300000001 2.766931 ] [ 3.0773565 1.8014778000000005 0.9961042 ] [ 1.5587811 -2.7943242000000006 0.1312939 ] [ 5.7352133 0.9782230000000002 -13.4176598 ] [ 0.385427 2.4822424000000005 12.5128676 ] [ -1.6170457 -12.655999900000003 -2.8070668 ] [ -3.4442394 1.8985704000000005 8.2105598 ] [ -1.1240871 1.9275718000000004 -0.913293 ] [ 0.0185731 0.5394512000000001 -1.6231493 ] [ -16.5171733 3.868708400000001 -6.4781062 ] [ 8.6234366 -6.050829500000002 -4.3742344 ] [ -0.4453007 -2.6257769000000004 3.9914239 ] [ 1.1998226 2.7397180000000003 -18.5607902 ] [ -0.3135385 1.9214919000000004 17.8515275 ] [ -2.2376237 7.108488300000002 -6.5896348 ] [ 1.3744901 3.4906876000000007 3.160943 ] [ 2.5247723 -3.3752902000000007 1.1959524 ] [ 0.3561644 -1.3050297000000002 0.9419114 ] [ 1.1687978 -0.16368370000000002 4.4997899 ] [ -0.3384366 -5.337713800000001 -1.210626 ] [ 3.3662891 0.08675780000000001 -0.1421484 ] [ -3.3211123 -3.379820900000001 -0.18463 ] [ 0.0211163 -1.0403676000000002 -3.6495317 ] [ -1.1491843 2.1998442000000002 -1.1066913 ] [ -0.7099087 0.6295980000000001 2.9890533 ] [ 20.4567682 10.137589900000002 2.8528575 ] [ 0.4032117 0.14660420000000002 2.1054686 ] [ -6.312987 1.6629885000000004 -61.8231781 ] [ -1.3898493 -5.8094562000000005 61.6210942 ] [ 3.6145205 -2.3711593000000004 -3.8791944 ] [ -15.562776 18.724650700000005 77.5114066 ] [ 1.3465643 2.4111654000000002 -2.4029076 ] [ 0.2052218 -0.8874708000000002 3.6229585 ] [ 7.2796969 -16.635462800000003 -78.335701 ] [ -4.8822499 2.6138975000000007 -0.0070751 ] [ 1.2037284 0.9289914000000002 -4.8533848 ] [ -2.3373677 -1.6134978000000004 3.3257764 ] [ -4.0178031 2.5151498000000005 -4.7076105 ] [ -6.115014 -4.443237900000001 -14.5498893 ] [ -1.5418701 1.6656727000000005 14.9197198 ] [ 1.3347853 -1.0096763000000002 -1.1069425 ] [ 3.3810069 -2.1791299000000004 0.9837037 ] [ -3.9845344 6.039848300000002 18.8275706 ] [ 2.7178805 -4.063090600000001 -2.7274533 ] [ 2.8838548 1.6589432000000004 3.2153519 ] [ -1.6932332 -2.2330594000000006 -17.6369156 ] [ 2.3769198 -6.6496305000000016 5.4349416 ] [ -1.3036012 4.914910700000001 -28.4071228 ] [ 0.7179545 2.1648823000000004 30.2141021 ] [ -2.9145011 -2.1258911000000005 -1.7628045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.781924173884795e-09 1.1129585585628656e-09 4.809338478016262e-09 ] [ -1.3673071412504449e-08 7.841720169410752e-09 -3.0438239561672547e-09 ] [ 6.75874202042928e-10 1.5217922153812227e-09 -3.7021573683480025e-09 ] [ 4.6377695547955565e-09 2.04011846224739e-09 -4.2284837637348103e-10 ] [ 9.219195364367439e-09 -8.95876764292756e-09 -9.309895752459861e-08 ] [ 8.697342246105906e-09 -2.8746461213354313e-09 9.890934588878577e-08 ] [ -4.713977406199233e-09 -2.034639659074902e-09 -5.8212101059546834e-09 ] [ 7.244866439829312e-11 2.2091315933225956e-09 5.183218889457585e-09 ] [ -6.1584665222388e-09 7.834717375836558e-09 -1.4877178600112935e-08 ] [ -4.12008113444213e-09 1.91070729201447e-09 1.9334378684085117e-08 ] [ -2.375173968507514e-10 -1.5586216095812147e-09 -5.750774576480425e-09 ] [ 3.996010499539323e-09 3.215915669619328e-09 2.245540255941965e-09 ] [ -3.167970053588901e-09 2.833454160414663e-09 -1.1638670477746046e-08 ] [ 2.907998632050624e-09 -7.269731580113482e-09 6.8715293264801036e-09 ] [ 1.601185033689387e-09 -5.434505071752169e-09 4.433112159566765e-09 ] [ 4.930468638166916e-09 2.886285614050219e-09 1.5959348611206875e-09 ] [ 2.497442635364907e-09 -4.4770009041756644e-09 2.1035601703365313e-10 ] [ 9.188824664561216e-09 1.5672860205288388e-09 -2.1497460837408004e-08 ] [ 6.175221284250816e-10 3.976990740438483e-09 2.0047823927885807e-08 ] [ -2.5907928153051706e-09 -2.0277147152627142e-08 -4.497416799983869e-09 ] [ -5.51827984311822e-09 3.0418451078229054e-09 1.3154766955240325e-08 ] [ -1.8009860713628715e-09 3.0883104728733743e-09 -1.4632566925402945e-09 ] [ 2.975738659578048e-11 8.642961007025052e-10 -2.6005718605278854e-09 ] [ -2.6463428902961984e-08 6.198354151172576e-09 -1.037907030069953e-08 ] [ 1.3816268511471042e-08 -9.694497561346957e-09 -7.008296089579116e-09 ] [ -7.134503707658746e-10 -4.2069583606167e-09 6.394966056282358e-09 ] [ 1.9223277188274703e-09 4.389512127184935e-09 -2.9737664122013756e-08 ] [ -5.023440544207008e-10 3.078569399236572e-09 2.8601300006068272e-08 ] [ -3.585068378287993e-09 1.138905376349034e-08 -1.0557758816170084e-08 ] [ 2.202175903741054e-09 5.592698063236464e-09 5.064388974281414e-09 ] [ 4.045131151903444e-09 -5.407811046855358e-09 1.91612697486965e-09 ] [ 5.706382748412596e-10 -2.0908880747896383e-09 1.5091084239449972e-09 ] [ 1.8726205096024745e-09 -2.62250197346041e-10 7.2094581762919695e-09 ] [ -5.422352081430413e-10 -8.55196025888153e-09 -1.9396366737326207e-09 ] [ 5.393389694873873e-09 1.3900131883204227e-10 -2.2774684316412673e-10 ] [ -5.3210084821113155e-09 -5.415070028471216e-09 -2.9580986949830397e-10 ] [ 3.3832042177799045e-11 -1.6668526457578064e-09 -5.847194366608479e-09 ] [ -1.8411962184504133e-09 3.52453894664248e-09 -1.7731149273027592e-09 ] [ -1.137399122042521e-09 1.0087271961024385e-09 4.788991315585089e-09 ] [ 3.2775355747164895e-08 1.6242209529038215e-08 4.570781588973936e-09 ] [ 6.460163589730233e-10 2.348858217510874e-10 3.373332566748507e-09 ] [ -1.0114520178814329e-08 2.6644012953592616e-09 -9.905165057537457e-08 ] [ -2.2267840548952454e-09 -9.30777490320161e-09 9.872787647535449e-08 ] [ 5.791100240502326e-09 -3.799015994652494e-09 -6.215154575218284e-09 ] [ -2.4934315861947343e-08 3.0000197584186365e-08 1.2418696349984282e-07 ] [ 2.1574338398639174e-09 3.863112832761881e-09 -3.849882378662638e-09 ] [ 3.288015700384935e-10 -1.421884967402673e-09 5.804619406828637e-09 ] [ 1.1663360179690237e-08 -2.665294957434811e-08 -1.2550762871617918e-07 ] [ -7.822226646683137e-09 4.187925463667569e-09 -1.133555980982208e-11 ] [ 1.9285855002729908e-09 1.4884083020042616e-09 -7.775979658306083e-09 ] [ -3.744875883153069e-09 -2.585108452872235e-09 5.328481194088389e-09 ] [ -6.437230193797765e-09 4.0297142073697965e-09 -7.542423482932599e-09 ] [ -9.797332466664693e-09 -7.11885188403249e-09 -2.331149247168808e-08 ] [ -2.470348226530558e-09 2.668701857844813e-09 2.3904026252446853e-08 ] [ 2.1385618014475142e-09 -1.6176797624358475e-09 -1.773517394069904e-09 ] [ 5.416970209943484e-09 -3.491350979466243e-09 1.576067069934457e-09 ] [ -6.383927860453356e-09 9.676903739438629e-09 3.0165093441781434e-08 ] [ 4.354524595228215e-09 -6.5097887675122454e-09 -4.3698619115838086e-09 ] [ 4.62044473834186e-09 2.6579200102751394e-09 5.1515616418248595e-09 ] [ -2.712858646602371e-09 -3.5777555635376765e-09 -2.8257453837342803e-08 ] [ 3.808245333076612e-09 -1.0653882524058617e-08 8.707736366933345e-09 ] [ -2.0885993654868247e-09 7.874555016859764e-09 -4.551322801435463e-08 ] [ 1.1502899146981536e-09 3.4685238078437326e-09 4.840832800308419e-08 ] [ -4.6695455237158824e-09 -3.4060530187867958e-09 -2.824324156941034e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -166.33441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.664971029365617e-17 } }