{ "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" [ 10.5774 0 0 ] "si-unit" "m" "si-value" [ 1.05774e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.5435 9.41396 0 ] "si-unit" "m" "si-value" [ -5.543500000000001e-10 9.41396e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.064938 0.0467405 10.4512 ] "si-unit" "m" "si-value" [ 6.4938e-12 4.67405e-12 1.04512e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.236369 0.26893 0.312575 ] [ -0.468457 -0.0551533 2.71797 ] [ 0.155919 0.092588 5.15124 ] [ -0.018441 0.0929563 7.82273 ] [ -1.55477 1.97581 -0.267213 ] [ -1.04358 2.17509 2.21266 ] [ -1.40284 2.08288 5.10665 ] [ -1.53193 2.47262 7.67232 ] [ -2.52557 4.36371 -0.0687127 ] [ -2.63168 4.78588 2.11088 ] [ -2.8285 4.66387 4.81651 ] [ -2.43747 4.62598 7.37597 ] [ -4.03263 6.85233 0.0129409 ] [ -3.84994 6.83623 2.55746 ] [ -3.98778 6.95546 5.08975 ] [ -4.04437 7.15345 7.98474 ] [ 2.7925 -0.150709 -0.236912 ] [ 2.52744 0.0585484 2.75097 ] [ 2.97937 0.0253826 4.99024 ] [ 2.79178 -0.125765 7.78546 ] [ 1.17257 2.07204 0.331708 ] [ 1.3094 2.34381 2.76563 ] [ 1.18538 2.29758 5.23355 ] [ 1.59625 2.2364 7.51626 ] [ 0.209736 4.7052 -0.38166 ] [ 0.0212178 4.79108 2.50518 ] [ 0.14278 4.68614 5.40679 ] [ 0.0689267 4.99276 7.69231 ] [ -1.30113 6.84139 -0.125401 ] [ -1.32129 6.9098 2.46812 ] [ -1.40757 6.90228 4.65006 ] [ -1.51326 6.89042 7.78065 ] [ 5.65863 -0.119012 -0.254989 ] [ 5.10197 -0.169957 2.56638 ] [ 5.09243 0.203313 5.33098 ] [ 5.4779 0.0404503 7.67487 ] [ 4.26427 2.43752 0.163886 ] [ 3.82857 2.25448 2.19664 ] [ 4.05658 2.33431 4.68086 ] [ 4.02669 2.41042 7.33784 ] [ 2.70197 4.51023 -0.181109 ] [ 2.69021 4.95442 2.77602 ] [ 2.76302 4.59982 5.27878 ] [ 2.51118 4.74862 7.54636 ] [ 1.32887 6.836 -0.11303 ] [ 1.20887 6.93781 2.26344 ] [ 1.34794 6.78344 4.99463 ] [ 1.1866 6.82578 7.72723 ] [ 7.89632 -0.0170417 0.0255252 ] [ 7.53531 0.00656563 2.93328 ] [ 7.75351 0.543148 5.15254 ] [ 7.57049 -0.0404042 7.95999 ] [ 6.60423 2.27111 -0.0474532 ] [ 6.37919 2.09166 2.92245 ] [ 6.73055 2.30287 5.30103 ] [ 6.58072 2.36604 7.68857 ] [ 5.17021 4.6802 0.219605 ] [ 5.33653 4.41662 2.44533 ] [ 5.28123 4.72183 5.09151 ] [ 4.95328 4.74786 7.55719 ] [ 4.06766 6.86832 -0.154912 ] [ 3.74255 7.04003 2.54371 ] [ 3.95151 7.01529 5.08037 ] [ 3.49217 7.04854 7.79727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.36369e-11 2.6893e-11 3.12575e-11 ] [ -4.6845700000000004e-11 -5.5153300000000005e-12 2.71797e-10 ] [ 1.55919e-11 9.258800000000001e-12 5.15124e-10 ] [ -1.8440999999999998e-12 9.29563e-12 7.822730000000001e-10 ] [ -1.5547700000000002e-10 1.97581e-10 -2.67213e-11 ] [ -1.04358e-10 2.17509e-10 2.2126600000000002e-10 ] [ -1.4028400000000001e-10 2.08288e-10 5.10665e-10 ] [ -1.5319300000000002e-10 2.47262e-10 7.672320000000001e-10 ] [ -2.5255700000000003e-10 4.36371e-10 -6.87127e-12 ] [ -2.6316799999999996e-10 4.78588e-10 2.11088e-10 ] [ -2.8285e-10 4.663870000000001e-10 4.81651e-10 ] [ -2.43747e-10 4.62598e-10 7.37597e-10 ] [ -4.0326300000000004e-10 6.85233e-10 1.29409e-12 ] [ -3.84994e-10 6.83623e-10 2.55746e-10 ] [ -3.9877800000000003e-10 6.955460000000001e-10 5.089750000000001e-10 ] [ -4.04437e-10 7.153450000000001e-10 7.984740000000001e-10 ] [ 2.7925e-10 -1.5070900000000002e-11 -2.3691200000000002e-11 ] [ 2.52744e-10 5.85484e-12 2.7509700000000004e-10 ] [ 2.97937e-10 2.53826e-12 4.99024e-10 ] [ 2.7917800000000005e-10 -1.2576499999999999e-11 7.78546e-10 ] [ 1.17257e-10 2.07204e-10 3.31708e-11 ] [ 1.3094e-10 2.34381e-10 2.76563e-10 ] [ 1.1853800000000002e-10 2.29758e-10 5.23355e-10 ] [ 1.59625e-10 2.2364000000000002e-10 7.51626e-10 ] [ 2.09736e-11 4.705199999999999e-10 -3.8166e-11 ] [ 2.12178e-12 4.79108e-10 2.50518e-10 ] [ 1.4278e-11 4.68614e-10 5.40679e-10 ] [ 6.89267e-12 4.99276e-10 7.69231e-10 ] [ -1.30113e-10 6.84139e-10 -1.2540100000000002e-11 ] [ -1.32129e-10 6.9098e-10 2.46812e-10 ] [ -1.4075700000000001e-10 6.902280000000001e-10 4.65006e-10 ] [ -1.51326e-10 6.89042e-10 7.780649999999999e-10 ] [ 5.65863e-10 -1.1901200000000002e-11 -2.5498900000000004e-11 ] [ 5.10197e-10 -1.69957e-11 2.5663800000000004e-10 ] [ 5.09243e-10 2.03313e-11 5.33098e-10 ] [ 5.4779e-10 4.04503e-12 7.674870000000001e-10 ] [ 4.2642699999999997e-10 2.4375200000000003e-10 1.63886e-11 ] [ 3.8285700000000004e-10 2.2544800000000002e-10 2.19664e-10 ] [ 4.0565800000000006e-10 2.33431e-10 4.680860000000001e-10 ] [ 4.0266900000000006e-10 2.41042e-10 7.337840000000001e-10 ] [ 2.7019700000000003e-10 4.5102300000000004e-10 -1.81109e-11 ] [ 2.6902100000000003e-10 4.95442e-10 2.77602e-10 ] [ 2.7630200000000003e-10 4.5998200000000007e-10 5.27878e-10 ] [ 2.51118e-10 4.74862e-10 7.546360000000001e-10 ] [ 1.32887e-10 6.836000000000001e-10 -1.1303e-11 ] [ 1.2088699999999998e-10 6.93781e-10 2.2634400000000003e-10 ] [ 1.34794e-10 6.78344e-10 4.99463e-10 ] [ 1.1866e-10 6.82578e-10 7.72723e-10 ] [ 7.89632e-10 -1.70417e-12 2.55252e-12 ] [ 7.53531e-10 6.565630000000001e-13 2.93328e-10 ] [ 7.75351e-10 5.4314799999999996e-11 5.15254e-10 ] [ 7.570490000000001e-10 -4.040420000000001e-12 7.95999e-10 ] [ 6.60423e-10 2.2711100000000004e-10 -4.74532e-12 ] [ 6.379190000000001e-10 2.09166e-10 2.92245e-10 ] [ 6.73055e-10 2.3028700000000001e-10 5.30103e-10 ] [ 6.580720000000001e-10 2.36604e-10 7.68857e-10 ] [ 5.17021e-10 4.6802e-10 2.19605e-11 ] [ 5.33653e-10 4.41662e-10 2.44533e-10 ] [ 5.28123e-10 4.72183e-10 5.091510000000001e-10 ] [ 4.953280000000001e-10 4.74786e-10 7.55719e-10 ] [ 4.06766e-10 6.86832e-10 -1.54912e-11 ] [ 3.74255e-10 7.04003e-10 2.54371e-10 ] [ 3.95151e-10 7.01529e-10 5.08037e-10 ] [ 3.4921700000000004e-10 7.04854e-10 7.79727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7990199 -8.3404459 -2.1708613 ] [ 1.224751 -2.9803464 0.604981 ] [ 0.189802 -3.4766059 1.45426 ] [ -0.2945433 -0.7194285 0.0850349 ] [ 2.6160053 2.7266169 -1.906054 ] [ -3.4019755 3.6992327 1.1453167 ] [ 7.0903376 5.967768 -0.6632775 ] [ 3.8712379 -1.7491439 1.2497985 ] [ 0.2334973 0.7272675 -3.3204671 ] [ 0.6248363 -3.9514409 2.7433709 ] [ 2.3858385 -0.8599886 0.3806767 ] [ -2.9101103 1.6829211 -0.0213253 ] [ 0.9333627 1.6941081 -0.7373739 ] [ -3.1937547 3.0472616 -0.1989729 ] [ -0.7955155 2.0713581 1.9976528 ] [ -1.8473869 -1.0707439 -1.2522513 ] [ 0.8902591 0.2215103 0.6805951 ] [ -2.0232984 -2.0908339 -3.2976161 ] [ -6.1475403 -2.6766825 2.6556963 ] [ -0.4905479 0.9814494 -0.1346285 ] [ 4.4975594 6.9090672 -2.6678991 ] [ 1.1669534 2.5588515 0.5727713 ] [ 0.8959718 0.9473714 -0.8661408 ] [ -1.4720094 -0.9458025 3.1357994 ] [ -1.6809824 -4.2443826 2.0516911 ] [ 0.0571708 -3.8426028 0.4299115 ] [ -3.1631387 -1.8066994 -3.9524057 ] [ -4.4839817 -6.7954501 1.4038857 ] [ -1.4095244 1.6401753 -0.3474522 ] [ -0.0490851 1.9707448 -3.0471996 ] [ 1.1591109 0.5677369 5.2565251 ] [ -1.4185307 2.7081048 -0.3890367 ] [ -5.7888865 -0.9160337 1.5616339 ] [ -0.7194909 -0.5898156 -2.3846455 ] [ 3.4264156 -4.3359785 0.607615 ] [ -6.5741805 -2.2075316 0.2496973 ] [ -2.8206725 -2.9451403 -6.2208881 ] [ -1.9187878 -0.5864911 3.0612587 ] [ -1.1077593 2.9006175 0.7558095 ] [ 0.2129525 -1.0114936 1.7592183 ] [ -0.5846088 -1.2381267 -0.5675104 ] [ -0.2608524 -3.6923823 -0.5563477 ] [ 0.0902271 -1.3156523 -3.6212362 ] [ 2.3366091 -4.1705692 3.9963561 ] [ 1.6002616 2.0686774 0.5811764 ] [ 0.9150628 2.5494113 0.4638251 ] [ -0.5363445 3.5849391 -0.3865602 ] [ -0.5329884 8.3168205 -1.1482144 ] [ 3.3238276 -3.6429577 1.984793 ] [ 2.0693331 -3.3263535 -3.4466193 ] [ 1.9775759 -13.1197525 2.2192081 ] [ 7.6430123 -1.7868207 -0.6843489 ] [ -0.7097808 1.446286 -0.3184228 ] [ 0.706715 3.0580719 -3.667659 ] [ -5.7178283 8.6366145 0.5055199 ] [ -1.943725 3.4123803 3.2323855 ] [ 1.9507533 1.1443337 -3.769875 ] [ 0.0607192 1.5717112 3.3449228 ] [ 0.477961 0.6400238 -0.0855772 ] [ 3.8030085 1.0515775 1.9504859 ] [ -1.2035266 2.5977235 -0.1583919 ] [ 2.6063599 1.6634036 -1.0006109 ] [ 0.7916353 2.2334125 0.8197176 ] [ 5.1712535 3.4381474 0.0482792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.882347624133954e-09 -1.3362867428027216e-08 -3.478103221859495e-09 ] [ 1.9622674185014206e-09 -4.775041323965445e-09 9.692864142282048e-10 ] [ 3.040963269810816e-10 -5.570136692715343e-09 2.329981372564608e-09 ] [ -4.719103890732807e-10 -1.152651523037213e-09 1.362409287320659e-10 ] [ 4.19130253154889e-09 4.3685218510581715e-09 -3.053835156782323e-09 ] [ -5.45056561063439e-09 5.926824146838861e-09 1.8349996401518073e-09 ] [ 1.1359973136299182e-08 9.561418367958376e-09 -1.062687703602672e-09 ] [ 6.202406856934888e-09 -2.802437462994933e-09 2.002397937410909e-09 ] [ 3.7410391507992384e-10 1.165210985567664e-09 -5.319974757755576e-09 ] [ 1.0010981116871751e-09 -6.330906228452911e-09 4.395364718163055e-09 ] [ 3.822534665704541e-09 -1.3778536290745228e-09 6.099113088232953e-10 ] [ -4.662510686609274e-09 2.6963368410710188e-09 -3.416689709154624e-11 ] [ 1.4954118966667641e-09 2.7142603909279084e-09 -1.1814032233681173e-09 ] [ -5.116959112910118e-09 4.882251292981602e-09 -3.1878972855277636e-10 ] [ -1.2745563355840225e-09 3.3186815211247085e-09 3.2005926126356583e-09 ] [ -2.9598401007521876e-09 -1.7155208434442133e-09 -2.006327756226407e-09 ] [ 1.4263523164744493e-09 3.5489862392639423e-10 1.090433557451038e-09 ] [ -3.2416813933820467e-09 -3.349885192556085e-09 -5.283363419793675e-09 ] [ -9.849445344085819e-09 -4.288518122804497e-09 4.254894523805063e-09 ] [ -7.859443767625363e-10 1.5724552831781876e-09 -2.1569863519337284e-10 ] [ 7.205884521339276e-09 1.1069545939376118e-08 -4.2744455646733615e-09 ] [ 1.869665455043071e-09 4.099732049399011e-09 9.176807859252231e-10 ] [ 1.4355050708560934e-09 1.5178563082945652e-09 -1.3877105400810088e-09 ] [ -2.3584190462778356e-09 -1.515342653394192e-09 5.024104486198667e-09 ] [ -2.693230701256274e-09 -6.800250571450318e-09 3.2871715135234352e-09 ] [ 9.159771915243264e-11 -6.156528369180618e-09 6.887941543130592e-10 ] [ -5.067906873487705e-09 -2.894651539493388e-09 -6.332452008456659e-09 ] [ -7.1841306478350395e-09 -1.0887511278033022e-08 2.249272846815443e-09 ] [ -2.2583070401271475e-09 2.627850519673626e-09 -5.566797916855258e-10 ] [ -7.864299964963009e-11 3.1574812441231722e-09 -4.882151958031111e-09 ] [ 1.8571003848944467e-09 9.096147879454676e-10 8.421881621868382e-09 ] [ -2.2727367234270585e-09 4.3388621972362605e-09 -6.233055053731834e-10 ] [ -9.27481861076474e-09 -1.4676477780049208e-09 2.502013324828725e-09 ] [ -1.1527514988583508e-09 -9.449887649031246e-10 -3.820623268995926e-09 ] [ 5.489722967464404e-09 -6.9470033809914536e-09 9.73506547447392e-10 ] [ -1.0532998298019255e-08 -3.536855519197217e-09 4.000591763368839e-10 ] [ -4.519215534433488e-09 -4.718634933635898e-09 -9.966961474432933e-09 ] [ -3.0742369534362664e-09 -9.39662328727275e-10 4.904677119360602e-09 ] [ -1.7748260519337733e-09 4.647301544383344e-09 1.2109403106785376e-09 ] [ 3.41187516840912e-10 -1.620591398008827e-09 2.8185784311435208e-09 ] [ -9.36646551673943e-10 -1.9836976523282555e-09 -9.092518949408563e-10 ] [ -4.179316167595699e-10 -5.9158485961157314e-09 -8.913672779758522e-10 ] [ 1.445597501825837e-10 -2.1079073561617478e-09 -5.801859978034633e-09 ] [ 3.7436604719685295e-09 -6.68198846766856e-09 6.402868311811467e-09 ] [ 2.5639017226840013e-09 3.31438656625733e-09 9.311472406407092e-10 ] [ 1.4660922247237861e-09 4.084607181663335e-09 7.431297313602221e-10 ] [ -8.593186185946657e-10 5.743705613011794e-09 -6.193377149717723e-10 ] [ -8.539415536375988e-10 1.3325015364490167e-08 -1.8396422673458997e-09 ] [ 5.3253588722897745e-09 -5.8366616575033405e-09 3.1799889417274945e-09 ] [ 3.3154371134675887e-09 -5.329405810216253e-09 -5.522092863258062e-09 ] [ 3.1684258728375186e-09 -2.1020160726182353e-08 3.5555633345099883e-09 ] [ 1.2245455619546836e-08 -2.8628023511014907e-09 -1.0964478080501972e-09 ] [ -1.1371942036527206e-09 2.317205616190349e-09 -5.101695656896743e-10 ] [ 1.132282250568672e-09 4.899571302905435e-09 -5.876237502866707e-09 ] [ -9.160970824008609e-09 1.3837381834762283e-08 8.09932165129154e-10 ] [ -3.11419075226448e-09 5.467235937938491e-09 5.1788524775129186e-09 ] [ 3.125451330208449e-09 1.833424700533561e-09 -6.0400055883384e-09 ] [ 9.728288267367937e-11 2.518158939289513e-09 5.3591571085408746e-09 ] [ 7.657779398541889e-10 1.025431169115575e-09 -1.3710978911352576e-10 ] [ 6.0930913074036765e-09 1.6848128854593121e-09 3.125022908180047e-09 ] [ -1.9282621810309135e-09 4.162011859002748e-09 -2.5377179910409153e-10 ] [ 4.1758488971706265e-09 2.665066358874555e-09 -1.603155390497647e-09 ] [ 1.2683395698599944e-09 3.57832129210248e-09 1.3133323743782863e-09 ] [ 8.285261457930173e-09 5.508519383144306e-09 7.735180551092736e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -241.52207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.869610139612211e-17 } }