{ "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" [ 10.7433999 0 0 ] "si-unit" "m" "si-value" [ 1.07433999e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7433999 0 ] "si-unit" "m" "si-value" [ 0.0 1.07433999e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7433999 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07433999e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.7729719 1.9969119 1.3471949 ] [ 3.4444549 4.108199900000001 2.3119239 ] [ 5.076294900000001 4.7134529 0.6245501 ] [ 2.2125089 2.5748289 5.1133239 ] [ 1.0446889 0.9121604 3.7832589 ] [ 3.5478219 1.4077169 6.6765029 ] [ 0.1433706 3.3185439 5.9532289 ] [ 2.9122509 4.848775900000001 5.6739109 ] [ 4.2125189 5.0943179 7.6850239 ] [ 2.4944709 1.7080079 8.8528579 ] [ 0.9651409 1.4588389 10.6910099 ] [ 4.2311379 2.5648719 10.3749599 ] [ 1.1554879 5.1395839 10.5859799 ] [ 2.8193769 4.0515169 9.2533599 ] [ 1.4900869 7.3898979 0.6845395000000001 ] [ 3.7683969 6.7835219 0.6015337000000001 ] [ 1.5270309 9.8339389 0.3022891 ] [ 3.3569379 10.4284399 1.6152109 ] [ 4.8116119 8.5489429 1.7208929 ] [ 1.4715699 7.3445329 3.0327359 ] [ 3.3613329 6.0553809 3.6836279 ] [ 2.1006099 9.5918569 3.4377879 ] [ 0.6920094 5.5735989 6.0702189 ] [ 5.0507179 7.7180039 6.0898899 ] [ 2.7005229 8.0018979 6.1190599 ] [ 0.9269936000000001 9.366404900000001 5.4747779 ] [ 4.0233879 9.9191729 5.9104979 ] [ 2.0277999 7.7359419 8.3204109 ] [ 0.370966 5.8863599 8.4368129 ] [ 4.1426719 7.0846459 9.0576049 ] [ 2.4153439 10.0016199 8.894827900000001 ] [ 4.6815259 9.3779889 8.996272900000001 ] [ 6.5723009 1.4427769 1.9320619 ] [ 8.8923929 1.8357549 1.6829309 ] [ 5.7042889 3.5773439 2.6315819 ] [ 10.5046499 3.3923329 0.7632844000000001 ] [ 9.4341159 0.5809774000000001 3.6114269 ] [ 6.4266239 5.2594649 4.0955299 ] [ 8.980920900000001 2.7069539 4.7398489 ] [ 5.4260729 2.4266069 5.5907789 ] [ 6.8357889 0.5630398 5.687283900000001 ] [ 9.1094269 0.6954044 5.9702899 ] [ 8.8448639 1.9092059 7.957671900000001 ] [ 7.257223900000001 3.9299259 5.8834009 ] [ 5.8361549 3.3592499 7.7267729 ] [ 6.7342579 0.5312712 10.5220099 ] [ 7.2749319 2.6230809 9.5052749 ] [ 10.6161799 3.4071239 8.2529239 ] [ 8.5597189 4.3472879 10.4893399 ] [ 8.9065789 5.0921349 8.3128999 ] [ 7.2095859 6.0039939 0.7262439 ] [ 8.901741900000001 10.6197799 0.4203008 ] [ 5.3841299 7.4135119 3.7855189 ] [ 8.221917900000001 6.0326959 2.8369929 ] [ 10.5912499 7.4028229 4.781726900000001 ] [ 7.6696679 8.1732539 3.7116739 ] [ 7.1660519 10.5108299 3.5127149 ] [ 6.034706900000001 9.5744799 7.0892909 ] [ 9.6984259 8.6109999 8.0041559 ] [ 8.690546900000001 8.2866669 5.8725139 ] [ 7.8631769 7.230091900000001 8.3655779 ] [ 8.2891279 7.8469369 10.5282099 ] [ 6.2462669 8.9743659 10.6799299 ] [ 9.7178419 10.7502399 8.992828900000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7729719e-10 1.9969119e-10 1.3471949e-10 ] [ 3.4444549000000006e-10 4.108199900000001e-10 2.3119239e-10 ] [ 5.0762949e-10 4.7134529e-10 6.245501e-11 ] [ 2.2125089e-10 2.5748289000000003e-10 5.1133239e-10 ] [ 1.0446889e-10 9.121604e-11 3.7832589e-10 ] [ 3.5478219e-10 1.4077169e-10 6.6765029e-10 ] [ 1.433706e-11 3.3185439e-10 5.9532289e-10 ] [ 2.9122509000000003e-10 4.848775900000001e-10 5.6739109e-10 ] [ 4.2125189e-10 5.0943179e-10 7.6850239e-10 ] [ 2.4944709e-10 1.7080079e-10 8.8528579e-10 ] [ 9.651409e-11 1.4588389e-10 1.06910099e-09 ] [ 4.2311379000000003e-10 2.5648719e-10 1.0374959900000001e-09 ] [ 1.1554879e-10 5.1395839e-10 1.05859799e-09 ] [ 2.8193769e-10 4.0515169e-10 9.2533599e-10 ] [ 1.4900869000000002e-10 7.3898979e-10 6.845395000000001e-11 ] [ 3.7683969000000003e-10 6.783521900000001e-10 6.015337000000001e-11 ] [ 1.5270309000000001e-10 9.8339389e-10 3.022891e-11 ] [ 3.3569379000000004e-10 1.04284399e-09 1.6152109e-10 ] [ 4.8116119e-10 8.5489429e-10 1.7208929000000001e-10 ] [ 1.4715699e-10 7.344532900000001e-10 3.0327359e-10 ] [ 3.3613329e-10 6.0553809e-10 3.6836279e-10 ] [ 2.1006098999999999e-10 9.591856900000001e-10 3.4377879e-10 ] [ 6.920094e-11 5.573598900000001e-10 6.070218900000001e-10 ] [ 5.050717900000001e-10 7.7180039e-10 6.0898899e-10 ] [ 2.7005229000000003e-10 8.0018979e-10 6.1190599e-10 ] [ 9.269936e-11 9.3664049e-10 5.4747779e-10 ] [ 4.0233879000000007e-10 9.9191729e-10 5.9104979e-10 ] [ 2.0277999000000003e-10 7.735941900000001e-10 8.3204109e-10 ] [ 3.70966e-11 5.886359900000001e-10 8.4368129e-10 ] [ 4.1426719e-10 7.0846459e-10 9.0576049e-10 ] [ 2.4153439e-10 1.00016199e-09 8.894827900000001e-10 ] [ 4.681525899999999e-10 9.3779889e-10 8.996272900000002e-10 ] [ 6.5723009e-10 1.4427769e-10 1.9320619e-10 ] [ 8.892392900000001e-10 1.8357549e-10 1.6829309e-10 ] [ 5.7042889e-10 3.5773439e-10 2.6315819e-10 ] [ 1.05046499e-09 3.3923329e-10 7.632844000000001e-11 ] [ 9.4341159e-10 5.809774000000001e-11 3.6114269000000005e-10 ] [ 6.4266239e-10 5.2594649e-10 4.0955299e-10 ] [ 8.980920900000002e-10 2.7069539e-10 4.7398489e-10 ] [ 5.426072900000001e-10 2.4266069e-10 5.5907789e-10 ] [ 6.8357889e-10 5.630398e-11 5.687283900000001e-10 ] [ 9.109426900000002e-10 6.954044000000001e-11 5.9702899e-10 ] [ 8.844863900000001e-10 1.9092059e-10 7.957671900000001e-10 ] [ 7.257223900000002e-10 3.9299259e-10 5.8834009e-10 ] [ 5.836154900000001e-10 3.3592499e-10 7.726772900000001e-10 ] [ 6.734257900000001e-10 5.3127120000000006e-11 1.05220099e-09 ] [ 7.274931900000001e-10 2.6230809e-10 9.5052749e-10 ] [ 1.06161799e-09 3.4071239000000005e-10 8.252923900000002e-10 ] [ 8.5597189e-10 4.3472879000000005e-10 1.04893399e-09 ] [ 8.9065789e-10 5.0921349e-10 8.3128999e-10 ] [ 7.209585900000001e-10 6.003993900000001e-10 7.262439e-11 ] [ 8.901741900000001e-10 1.06197799e-09 4.203008e-11 ] [ 5.3841299e-10 7.4135119e-10 3.7855189e-10 ] [ 8.221917900000001e-10 6.032695900000001e-10 2.8369929e-10 ] [ 1.05912499e-09 7.4028229e-10 4.781726900000001e-10 ] [ 7.669667900000001e-10 8.1732539e-10 3.7116739000000003e-10 ] [ 7.1660519e-10 1.05108299e-09 3.5127149000000004e-10 ] [ 6.034706900000001e-10 9.5744799e-10 7.0892909e-10 ] [ 9.6984259e-10 8.6109999e-10 8.004155900000001e-10 ] [ 8.690546900000001e-10 8.2866669e-10 5.872513900000001e-10 ] [ 7.863176900000001e-10 7.230091900000001e-10 8.3655779e-10 ] [ 8.289127900000001e-10 7.8469369e-10 1.0528209900000002e-09 ] [ 6.246266900000001e-10 8.974365900000001e-10 1.06799299e-09 ] [ 9.7178419e-10 1.07502399e-09 8.992828900000002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0001131 -0.0001592 0.0002572 ] [ 0.0015128 -0.0005676 0.0007928 ] [ 0.0005764 -0.0002895 -0.0003543 ] [ 2e-05 -0.0001912 7.5e-06 ] [ -4.8e-05 5.14e-05 -2.17e-05 ] [ -6.91e-05 -0.0002587 -0.0004618 ] [ 0.0001736 -0.0001266 -1.17e-05 ] [ -1.38e-05 0.0001072 0.0001215 ] [ -9.09e-05 -0.0003328 7.52e-05 ] [ -5.3e-06 0.0001051 -0.0004662 ] [ 0.0002058 -0.0003979 -0.0001984 ] [ -0.000123 -0.0001936 -0.0002367 ] [ -0.0002883 -0.0001447 9.51e-05 ] [ -0.0002319 5.6e-06 0.000288 ] [ 2.39e-05 -4.49e-05 -2.62e-05 ] [ 2.43e-05 -0.0006386 -8.35e-05 ] [ 0.000213 -5.76e-05 -0.0003184 ] [ 3.86e-05 0.0001615 0.0003158 ] [ -0.0004148 -0.0003624 3.24e-05 ] [ -0.0002637 -0.0005475 0.0001383 ] [ 0.0002426 -0.0001648 9.97e-05 ] [ -0.0005128 -0.0002277 -0.0002043 ] [ -0.0001138 7.39e-05 -6.75e-05 ] [ -0.000139 -0.0002276 0.0001974 ] [ 0.0001398 -1e-06 -0.0002221 ] [ 1.45e-05 2.44e-05 8.84e-05 ] [ 0.0001483 5.64e-05 -0.000865 ] [ -0.0001563 0.0001373 -8.69e-05 ] [ 0.0001399 -0.0001436 7.54e-05 ] [ -0.0003541 -0.0003589 -0.0001106 ] [ 0.0007891 6.79e-05 -0.0001342 ] [ 0.0002175 -0.0006007 0.0002164 ] [ -0.0006685 -0.0005141 -0.0001864 ] [ -0.0006851 0.0002352 0.0001199 ] [ 0.0018167 0.0003009 -0.0004084 ] [ -0.0001752 -0.0002403 -3.7e-05 ] [ -7.53e-05 0.000278 -7.84e-05 ] [ 0.0004125 0.0002354 0.0003539 ] [ 0.0001842 0.0002916 5.96e-05 ] [ -0.0003356 0.0002029 -0.0004741 ] [ -5.07e-05 0.0004258 0.0001101 ] [ -0.0001514 7.76e-05 -0.0001602 ] [ -0.0005625 0.0003663 -0.0001744 ] [ 2e-06 -6.24e-05 0.0002296 ] [ -0.0002516 -0.0003563 6.36e-05 ] [ 0.0003365 -7.68e-05 -0.0006475 ] [ -0.0002025 0.0004997 0.000147 ] [ -0.0002978 0.0001055 -0.0001757 ] [ -5.93e-05 0.0002189 -0.0001441 ] [ -0.0002081 5.09e-05 0.0001566 ] [ -3.63e-05 0.0003021 0.0003217 ] [ 0.0001006 0.0010305 0.0003152 ] [ 0.0001452 7.66e-05 0.0002726 ] [ 0.0002538 0.0002877 0.0002656 ] [ 2.26e-05 -3.52e-05 -1.71e-05 ] [ -0.0001334 0.0003306 1.47e-05 ] [ -0.0001455 0.0001724 0.0003051 ] [ -0.0001649 -9.68e-05 -0.0001734 ] [ 0.0001129 0.0010448 -0.0010081 ] [ 0.0001407 0.0001232 0.000213 ] [ -0.0001025 0.0004314 0.0004972 ] [ -0.0008517 -0.0007695 0.0010215 ] [ 0.0002803 -0.0001976 0.0001632 ] [ -0.0004181 0.0005076 0.0001233 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.812061773054e-13 -2.550665201328e-13 4.120798302648e-13 ] [ 2.4237728119151998e-12 -9.093954574584e-13 1.2702056354351999e-12 ] [ 9.234946118376e-13 -4.63830135543e-13 -5.676511814262e-13 ] [ 3.204353268e-14 -3.063361724208e-13 1.2016324755e-14 ] [ -7.6904478432e-14 8.235187898760001e-14 -3.47672329578e-14 ] [ -1.107104054094e-13 -4.144830952158e-13 -7.398851695812e-13 ] [ 2.781378636624e-13 -2.0283556186439999e-13 -1.87454666178e-14 ] [ -2.21100375492e-14 1.717533351648e-13 1.9466446103099999e-13 ] [ -1.456378560306e-13 -5.332043837952e-13 1.204836828768e-13 ] [ -8.4915361602e-15 1.6838876423339998e-13 -7.469347467708e-13 ] [ 3.2972795127719996e-13 -6.375060826686e-13 -3.178718441856e-13 ] [ -1.9706772598200002e-13 -3.101813963424e-13 -3.792352092678e-13 ] [ -4.619075235822e-13 -2.3183495893979997e-13 1.5236699789339999e-13 ] [ -3.715447614246e-13 8.9721891504e-15 4.614268705920001e-13 ] [ 3.82920215526e-14 -7.19377308666e-14 -4.19770278108e-14 ] [ 3.89328922062e-14 -1.0231499984724001e-12 -1.33781748939e-13 ] [ 3.41263623042e-13 -9.22853741184e-14 -5.101330402656e-13 ] [ 6.18440180724e-14 2.58751526391e-13 5.059673810172e-13 ] [ -6.645828677832e-13 -5.806288121616001e-13 5.19105229416e-14 ] [ -4.224939783858e-13 -8.771917071150001e-13 2.215810284822e-13 ] [ 3.8868805140839997e-13 -2.640387092832e-13 1.597370104098e-13 ] [ -8.215961779152e-13 -3.648156195618e-13 -3.273246863262e-13 ] [ -1.823277009492e-13 1.184008532526e-13 -1.0814692279500001e-13 ] [ -2.22702552126e-13 -3.646554018984e-13 3.162696675516e-13 ] [ 2.2398429343320002e-13 -1.6021766339999998e-15 -3.558434304114e-13 ] [ 2.3231561193e-14 3.90931098696e-14 1.416324144456e-13 ] [ 2.376027948222e-13 9.036276215760001e-14 -1.38588278841e-12 ] [ -2.504202078942e-13 2.199788518482e-13 -1.392291494946e-13 ] [ 2.2414451109660001e-13 -2.3007256464239997e-13 1.208041182036e-13 ] [ -5.673307460994e-13 -5.750211939426e-13 -1.7720073572040001e-13 ] [ 1.2642775818894e-12 1.087877934486e-13 -2.150121042828e-13 ] [ 3.48473417895e-13 -9.624275040438e-13 3.467110235976e-13 ] [ -1.0710550798290001e-12 -8.236790075394e-13 -2.986457245776e-13 ] [ -1.0976512119534e-12 3.768319443168e-13 1.921009784166e-13 ] [ 2.9106742909878e-12 4.820949491706e-13 -6.543289373256e-13 ] [ -2.807013462768e-13 -3.850030451502e-13 -5.9280535458e-14 ] [ -1.206439005402e-13 4.45405104252e-13 -1.256106481056e-13 ] [ 6.608978615249999e-13 3.7715237964360003e-13 5.670103107726e-13 ] [ 2.951209359828e-13 4.671947064743999e-13 9.54897273864e-14 ] [ -5.376904783704001e-13 3.250816390386e-13 -7.595919421794e-13 ] [ -8.12303553438e-14 6.822068107572e-13 1.7639964740340002e-13 ] [ -2.425695423876e-13 1.243289067984e-13 -2.566686967668e-13 ] [ -9.012243566249999e-13 5.868773010342e-13 -2.794196049696e-13 ] [ 3.2043532679999997e-15 -9.99758219616e-14 3.678597551664e-13 ] [ -4.031076411144e-13 -5.708555346941999e-13 1.018984339224e-13 ] [ 5.39132437341e-13 -1.230471654912e-13 -1.037409370515e-12 ] [ -3.2444076838499996e-13 8.006076640097999e-13 2.35519965198e-13 ] [ -4.771282016052e-13 1.6902963488700001e-13 -2.815024345938e-13 ] [ -9.50090743962e-14 3.507164651826e-13 -2.308736529594e-13 ] [ -3.334129575354e-13 8.155079067059999e-14 2.509008608844e-13 ] [ -5.81590118142e-14 4.840175611314001e-13 5.154202231578e-13 ] [ 1.6117896938040002e-13 1.6510430213369998e-12 5.050060750368e-13 ] [ 2.326360472568e-13 1.2272673016440002e-13 4.3675335042840004e-13 ] [ 4.066324297092e-13 4.609462176018e-13 4.2553811399040003e-13 ] [ 3.6209191928400004e-14 -5.63966175168e-14 -2.7397220441399998e-14 ] [ -2.137303629756e-13 5.296795952004e-13 2.35519965198e-14 ] [ -2.3311670024700003e-13 2.762152517016e-13 4.888240910334e-13 ] [ -2.641989269466e-13 -1.550906981712e-13 -2.778174283356e-13 ] [ 1.808857419786e-13 1.6739541472032e-12 -1.6151542647354001e-12 ] [ 2.254262524038e-13 1.9738816130880002e-13 3.41263623042e-13 ] [ -1.64223104985e-13 6.911789999076e-13 7.966022224248001e-13 ] [ -1.3645738391778e-12 -1.232874919863e-12 1.6366234316310002e-12 ] [ 4.490901105102e-13 -3.165901028784e-13 2.614752266688e-13 ] [ -6.698700506754e-13 8.132648594184e-13 1.9754837897219998e-13 ] ] } "unrelaxed-potential-energy" { "source-value" -281.42838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.508979745804729e-17 } }