{ "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" [ 10.7144 0 0 ] "si-unit" "m" "si-value" [ 1.07144e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.09399 9.66634 0 ] "si-unit" "m" "si-value" [ -5.09399e-10 9.66634e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0584924 -0.0611089 10.7553 ] "si-unit" "m" "si-value" [ -5.84924e-12 -6.11089e-12 1.07553e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0138471 0.0272297 -0.18026 ] [ -0.063454 -0.0500934 2.8757 ] [ -0.117743 -0.153794 5.34906 ] [ -0.308272 -0.00940109 7.68584 ] [ -1.46082 2.17322 0.154735 ] [ -1.43053 2.252 2.93725 ] [ -1.52004 2.12235 5.70391 ] [ -1.38217 2.45391 7.73711 ] [ -2.32386 4.34974 -0.0341353 ] [ -2.14732 4.59913 2.85456 ] [ -2.58803 4.49203 5.22398 ] [ -2.53205 4.45019 7.97976 ] [ -3.63337 7.17929 -0.0491028 ] [ -3.89229 6.71793 2.89818 ] [ -3.66413 7.02015 5.09652 ] [ -3.92788 6.93366 8.0512 ] [ 2.45378 0.309373 0.291799 ] [ 2.63293 -0.0916649 2.38171 ] [ 2.30296 -0.201703 4.97556 ] [ 2.76192 -0.281406 7.62532 ] [ 1.31779 2.17407 -0.230385 ] [ 1.52587 2.23453 2.90133 ] [ 1.2551 2.11078 5.57886 ] [ 1.54308 1.87063 7.88471 ] [ -0.135475 4.44987 0.253366 ] [ 0.206692 4.4119 2.48107 ] [ 0.0396793 4.80924 5.07207 ] [ -0.0230702 4.46471 7.99008 ] [ -1.22343 6.87043 0.107938 ] [ -1.45159 6.56532 2.67083 ] [ -1.48914 6.71211 5.58461 ] [ -1.31259 6.65303 7.82887 ] [ 5.36229 -0.201486 0.0779356 ] [ 5.08432 0.160103 3.04183 ] [ 5.04314 -0.419791 4.93253 ] [ 4.97733 -0.124917 7.93817 ] [ 4.07742 2.32906 0.253204 ] [ 3.79674 2.43742 2.78537 ] [ 3.81248 2.52072 5.25869 ] [ 4.0443 1.91504 8.20099 ] [ 2.79101 4.60985 -0.00391354 ] [ 2.79476 4.43142 3.20273 ] [ 2.32095 4.60023 5.44999 ] [ 2.43436 4.156 8.02437 ] [ 1.10367 7.03267 0.475772 ] [ 1.43412 6.61174 2.58351 ] [ 1.56081 6.78949 5.83699 ] [ 1.26983 6.69138 7.94657 ] [ 8.13694 -0.084966 0.0329206 ] [ 7.94829 0.166431 2.88626 ] [ 8.08334 -0.175614 5.07998 ] [ 8.05071 -0.0461084 7.69847 ] [ 6.29462 2.13237 0.227677 ] [ 6.59496 2.14714 2.68125 ] [ 6.5796 2.22172 4.97661 ] [ 6.61546 2.04155 7.94854 ] [ 5.60831 4.89949 0.273056 ] [ 5.31426 4.44385 2.78226 ] [ 5.2365 4.38736 5.62938 ] [ 5.34171 4.237 7.77426 ] [ 3.76471 6.57935 0.297265 ] [ 3.95924 6.9387 3.15334 ] [ 3.93889 6.54727 5.0212 ] [ 3.94816 6.64802 7.82443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.38471e-12 2.72297e-12 -1.8026000000000003e-11 ] [ -6.3454e-12 -5.00934e-12 2.8757e-10 ] [ -1.1774300000000001e-11 -1.53794e-11 5.34906e-10 ] [ -3.08272e-11 -9.401090000000001e-13 7.68584e-10 ] [ -1.4608200000000002e-10 2.1732200000000002e-10 1.54735e-11 ] [ -1.43053e-10 2.2519999999999998e-10 2.9372500000000004e-10 ] [ -1.52004e-10 2.12235e-10 5.703909999999999e-10 ] [ -1.38217e-10 2.4539100000000003e-10 7.73711e-10 ] [ -2.32386e-10 4.34974e-10 -3.4135300000000003e-12 ] [ -2.14732e-10 4.59913e-10 2.8545600000000003e-10 ] [ -2.58803e-10 4.49203e-10 5.223980000000001e-10 ] [ -2.53205e-10 4.45019e-10 7.97976e-10 ] [ -3.6333700000000003e-10 7.17929e-10 -4.910280000000001e-12 ] [ -3.89229e-10 6.71793e-10 2.89818e-10 ] [ -3.66413e-10 7.020150000000001e-10 5.09652e-10 ] [ -3.9278800000000003e-10 6.93366e-10 8.0512e-10 ] [ 2.45378e-10 3.0937300000000004e-11 2.91799e-11 ] [ 2.63293e-10 -9.16649e-12 2.38171e-10 ] [ 2.3029600000000001e-10 -2.01703e-11 4.97556e-10 ] [ 2.76192e-10 -2.81406e-11 7.625320000000001e-10 ] [ 1.31779e-10 2.17407e-10 -2.3038500000000002e-11 ] [ 1.52587e-10 2.23453e-10 2.9013300000000004e-10 ] [ 1.2551000000000001e-10 2.1107800000000002e-10 5.57886e-10 ] [ 1.5430800000000002e-10 1.87063e-10 7.884710000000001e-10 ] [ -1.3547500000000002e-11 4.44987e-10 2.53366e-11 ] [ 2.06692e-11 4.4119000000000006e-10 2.48107e-10 ] [ 3.96793e-12 4.80924e-10 5.07207e-10 ] [ -2.30702e-12 4.46471e-10 7.99008e-10 ] [ -1.2234300000000001e-10 6.87043e-10 1.07938e-11 ] [ -1.45159e-10 6.56532e-10 2.67083e-10 ] [ -1.48914e-10 6.71211e-10 5.58461e-10 ] [ -1.3125899999999999e-10 6.653030000000001e-10 7.82887e-10 ] [ 5.36229e-10 -2.01486e-11 7.79356e-12 ] [ 5.08432e-10 1.60103e-11 3.04183e-10 ] [ 5.04314e-10 -4.1979100000000004e-11 4.932530000000001e-10 ] [ 4.97733e-10 -1.2491700000000001e-11 7.93817e-10 ] [ 4.07742e-10 2.3290600000000004e-10 2.5320399999999998e-11 ] [ 3.79674e-10 2.43742e-10 2.78537e-10 ] [ 3.81248e-10 2.52072e-10 5.25869e-10 ] [ 4.0443e-10 1.9150400000000002e-10 8.20099e-10 ] [ 2.79101e-10 4.60985e-10 -3.9135400000000003e-13 ] [ 2.79476e-10 4.4314200000000005e-10 3.20273e-10 ] [ 2.32095e-10 4.60023e-10 5.44999e-10 ] [ 2.43436e-10 4.156e-10 8.024369999999999e-10 ] [ 1.10367e-10 7.032670000000001e-10 4.75772e-11 ] [ 1.4341200000000002e-10 6.61174e-10 2.58351e-10 ] [ 1.56081e-10 6.78949e-10 5.836990000000001e-10 ] [ 1.26983e-10 6.69138e-10 7.946570000000001e-10 ] [ 8.136939999999999e-10 -8.4966e-12 3.2920600000000004e-12 ] [ 7.94829e-10 1.66431e-11 2.8862600000000003e-10 ] [ 8.08334e-10 -1.75614e-11 5.07998e-10 ] [ 8.050710000000001e-10 -4.61084e-12 7.698470000000001e-10 ] [ 6.29462e-10 2.13237e-10 2.27677e-11 ] [ 6.59496e-10 2.1471399999999998e-10 2.68125e-10 ] [ 6.579600000000001e-10 2.22172e-10 4.97661e-10 ] [ 6.61546e-10 2.04155e-10 7.94854e-10 ] [ 5.60831e-10 4.89949e-10 2.7305600000000004e-11 ] [ 5.314260000000001e-10 4.4438500000000006e-10 2.78226e-10 ] [ 5.2365e-10 4.3873600000000005e-10 5.62938e-10 ] [ 5.34171e-10 4.2370000000000005e-10 7.77426e-10 ] [ 3.76471e-10 6.57935e-10 2.97265e-11 ] [ 3.95924e-10 6.9387e-10 3.15334e-10 ] [ 3.93889e-10 6.54727e-10 5.0212e-10 ] [ 3.94816e-10 6.64802e-10 7.824430000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2178394 -3.0720821 -0.6701801 ] [ -0.3712673 -2.0811758 -2.3881223 ] [ -0.3858297 -2.3627847 0.2956605 ] [ 0.198549 -3.0052392 2.7899539 ] [ -0.5609842 -1.7546194 -0.95566 ] [ 0.5049237 -0.9253661 -0.9577669 ] [ -0.3970719 -0.3749436 -0.9735149 ] [ -0.2850025 -1.2004792 3.1954581 ] [ -2.9569022 0.7215104 -1.092565 ] [ -2.3804049 -0.662145 -1.3325084 ] [ -1.6235391 -0.0090002 0.9397224 ] [ -2.4827249 0.9538108 1.6259581 ] [ -1.8937165 0.8579933 -0.7370944 ] [ -1.5740679 1.3711265 -2.6127955 ] [ -2.0809431 0.686224 1.5971347 ] [ -1.7653315 0.754901 1.3753582 ] [ 0.5091673 -2.7283732 -2.2082542 ] [ -0.1078647 -2.7218185 -0.2482292 ] [ 1.0342596 -1.1427848 0.2723622 ] [ -0.7200987 -2.137641 1.3916126 ] [ -0.6301503 0.5416958 -0.6103539 ] [ -1.8066491 -1.2218889 -1.2469166 ] [ -0.4356687 -0.3835039 -0.1046007 ] [ -0.4517153 -1.0585767 1.9308576 ] [ 1.4851676 0.4326535 -2.1531104 ] [ 0.6940226 -0.2194831 -0.5295379 ] [ -0.599874 0.3095225 0.1363915 ] [ 0.5002719 0.4419074 1.8426683 ] [ -0.5984096 2.0765131 -1.6485338 ] [ 0.6483473 3.7341525 -0.5830916 ] [ 0.9598675 2.3675686 -0.0688812 ] [ -0.2060752 2.2939635 2.5169863 ] [ 0.4647254 -1.6280351 -1.1715998 ] [ 0.6857667 -2.3342125 -2.2162477 ] [ 0.7199558 -1.7273811 2.5965282 ] [ 2.3241987 -2.2612739 0.7335472 ] [ -0.0036748999999999987 0.3183271 -1.6965847 ] [ 1.0869655 -1.1331211 -1.2998836 ] [ 1.0156305 -2.1774857 1.6864109 ] [ 0.786767 0.345354 1.1727269 ] [ 0.0490973 0.7248969 -1.2439556 ] [ 0.0566027 1.7247842 -2.0398163 ] [ 0.469607 0.3396809 1.643605 ] [ 1.4786668 1.2549953 2.0992052 ] [ 1.4415971 2.0001847 -2.5169845 ] [ 0.213684 3.0156355 0.40535 ] [ -0.330935 3.7996984 -0.3377899 ] [ 0.9127902 2.8619332 3.621036 ] [ -0.0255656 -2.477348 -1.2333068 ] [ -0.1098988 -2.9290872 -2.4967266 ] [ -1.3666186 -2.1759978 1.2801868 ] [ -1.5083563 -2.5476621 2.2181437 ] [ 1.6412668 -0.0036297 -2.0200682 ] [ 0.5026917 0.2543437 -1.6428901 ] [ -0.3229264 -0.9278358 1.8424984 ] [ 0.1346678 -0.8793294 1.3598424 ] [ 0.7147511 1.3680774 -1.9783879 ] [ 1.5039041 1.6245724 -1.1907121 ] [ 1.408558 1.586044 0.4341016 ] [ 0.4070137 1.5287717 3.2968366 ] [ 1.3146423 3.399259 -1.6590461 ] [ 0.8372266 2.7065796 -3.7120299 ] [ 1.4472713 2.0439148 2.7590691 ] [ 1.0474814 1.8237091 2.5185345 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9511938145690996e-09 -4.9220181177981675e-09 -1.0737468879454061e-09 ] [ -5.948357881275399e-10 -3.3344112105347368e-09 -3.826193716671124e-09 ] [ -6.181673249502778e-10 -3.785598406323942e-09 4.737003407940384e-10 ] [ 3.1811056588321924e-10 -4.8149239861516956e-09 4.469998911689781e-09 ] [ -8.987957698781915e-10 -2.8112101810821237e-09 -1.531136109433728e-09 ] [ 8.08976947427833e-10 -1.482599931100875e-09 -1.5345117353560916e-09 ] [ -6.361793149566355e-10 -6.007258700385869e-10 -1.55974281278045e-09 ] [ -4.56624342369552e-10 -1.9233797079966874e-09 5.119688260565989e-09 ] [ -4.737479574832086e-09 1.1559870945440564e-09 -1.750482099704352e-09 ] [ -3.813829078817762e-09 -1.060873238579616e-09 -2.134913805499615e-09 ] [ -2.601196388974673e-09 -1.441991002252416e-11 1.5056012593220658e-09 ] [ -3.977763790658018e-09 1.5281733644265445e-09 2.6050720542203886e-09 ] [ -3.0340683027232034e-09 1.3746568060630406e-09 -1.1809554150026037e-09 ] [ -2.5219347889317523e-09 2.1967868224593313e-09 -4.1861598650314466e-09 ] [ -3.3340383840350764e-09 1.099452049431859e-09 2.558891876608422e-09 ] [ -2.8283728572617953e-09 1.209484733218541e-09 2.2035667532655708e-09 ] [ 8.157759441358599e-10 -4.371335753857283e-09 -3.538013252023407e-09 ] [ -1.7281830054960576e-10 -4.360833966760925e-09 -3.977070208398874e-10 ] [ 1.6570665509579596e-09 -1.8309430891656039e-09 4.3637234922965377e-10 ] [ -1.1537253018084729e-09 -3.424878433863533e-09 2.229609172930702e-09 ] [ -1.0096120782501064e-09 8.678923463455526e-10 -9.778947489941011e-10 ] [ -2.8945709500093614e-09 -1.957681828795029e-09 -1.9977806246074253e-09 ] [ -6.98018205554329e-10 -6.144409825656212e-10 -1.6758879605931458e-10 ] [ -7.237276929176582e-10 -1.6960268400636153e-09 3.093574904813998e-09 ] [ 2.3795008066896463e-09 6.931873226072928e-10 -3.4496631448813365e-09 ] [ 1.1119467840268302e-09 -3.5165069148070845e-10 -8.484132432075284e-10 ] [ -9.611040982257793e-10 4.95909713111568e-10 2.1852327257584322e-10 ] [ 8.015239422231956e-10 7.08013704838514e-10 2.9522800701492806e-09 ] [ -9.587578707822797e-10 3.3269407416049327e-09 -2.641242312958583e-09 ] [ 1.038766886218804e-09 5.982771834001873e-09 -9.342157293048654e-10 ] [ 1.537877267565744e-09 3.793263059060187e-09 -1.1035984825264896e-10 ] [ -3.301688675666841e-10 3.6753346886685407e-09 4.032656604733895e-09 ] [ 7.445721709719283e-10 -2.60839977506179e-09 -1.877109808493956e-09 ] [ 1.0987193740631674e-09 -3.73982069547912e-09 -3.550820250841772e-09 ] [ 1.1534963507693608e-09 -2.767569613631787e-09 4.160096777287907e-09 ] [ 3.7237768192337533e-09 -3.6229601758052373e-09 1.1752721740933018e-09 ] [ -5.887838863777918e-12 5.100162373870637e-10 -2.718228341546982e-09 ] [ 1.7415107117161826e-09 -1.8154601349551792e-09 -2.082643113681339e-09 ] [ 1.6272194424714145e-09 -3.488716680666323e-09 2.701928117042287e-09 ] [ 1.2605396934169536e-09 5.533181046997633e-10 1.8789156217632594e-09 ] [ 7.866254620440385e-11 1.1614128656703954e-09 -1.9930365796332364e-09 ] [ 9.068752261415616e-11 2.7634089211652314e-09 -3.2681459865867594e-09 ] [ 7.523933563640257e-10 5.442287965123028e-10 2.633345504829984e-09 ] [ 2.3690853769131495e-09 2.0107241288738824e-09 3.3632974937017883e-09 ] [ 2.30969317023308e-09 3.204649163621862e-09 -4.032653720815978e-09 ] [ 3.4235950903902725e-10 4.8315806949545186e-09 6.4944229324128e-10 ] [ -5.30216320004448e-10 6.087787942571167e-09 -5.411990805223699e-10 ] [ 1.4624511181353563e-09 4.585322463331331e-09 5.801539222275149e-09 ] [ -4.096060661672448e-11 -3.969149047185639e-09 -1.9759753212336616e-09 ] [ -1.7607728801397505e-10 -4.692915032124534e-09 -4.0001969870494736e-09 ] [ -2.189564370470427e-09 -3.4863328020722346e-09 2.0510853612167655e-09 ] [ -2.416653199696391e-09 -4.081804654318232e-09 3.5538579777148094e-09 ] [ 2.6295992954552293e-09 -5.81542048051776e-12 -3.2365060424615383e-09 ] [ 8.054008892102073e-10 4.07503529787769e-10 -2.6322001087637744e-09 ] [ -5.173851283191092e-10 -1.4865568267012647e-09 2.952007860341407e-09 ] [ 2.1576160073457025e-10 -1.4088410066620915e-09 2.178707701252562e-09 ] [ 1.1451575021110828e-09 2.19190162572485e-09 -3.1697268402536086e-09 ] [ 2.4095199889452652e-09 2.602851918076946e-09 -1.907731088723672e-09 ] [ 2.2567586966408063e-09 2.5411226163601155e-09 6.955074345718733e-10 ] [ 6.52107834485305e-10 2.4493622762806714e-09 5.282114523117761e-09 ] [ 2.10628915777474e-09 5.446213297843987e-09 -2.658084874249419e-09 ] [ 1.3413848848318734e-09 4.336418557454216e-09 -5.947327521490562e-09 ] [ 2.318784240814823e-09 3.274712507467108e-09 4.420516007191698e-09 ] [ 1.678250209802853e-09 2.9219040831602096e-09 4.0351370945782175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1424.6862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.282598921616393e-16 } }