{ "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" [ 10.7570093 0 0 ] "si-unit" "m" "si-value" [ 1.07570093e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7570093 0 ] "si-unit" "m" "si-value" [ 0.0 1.07570093e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7570093 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07570093e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.4385013 1.2675793 0.3893908 ] [ 4.7223243 2.0636923 0.9349565 ] [ 3.3834593 0.04377832 0.5806305 ] [ 1.5880733 3.4586803 1.3455793 ] [ 3.7096883 4.2277123 0.7203531 ] [ 2.7625103 0.7731921 3.9205343 ] [ 0.5429148 4.1515883 4.5102743 ] [ 2.3737913 3.0969483 3.5094933 ] [ 4.1708353 4.3775113 4.2982313 ] [ 0.5639486 2.6948963 6.3091183 ] [ 2.7584533 1.6969463 6.0967323 ] [ 4.927674300000001 2.7490763 5.8122583 ] [ 1.8827633 2.3893673 9.1260853 ] [ 1.0335103 5.1891523 8.8679963 ] [ 4.1966953 3.0534693 9.4718723 ] [ 0.2694268 5.4608953 1.6023983 ] [ 4.8820523 6.2803973 0.3742975 ] [ 2.0617503 8.8550703 0.4747595999999999 ] [ 3.8451633 7.9216563 1.5941203 ] [ 1.2732303 6.2682153 5.2907613 ] [ 4.175539300000001 7.7863623 3.8662423 ] [ 1.7772343 8.1723283 3.9828413 ] [ 0.8584466 10.3462793 4.5969493 ] [ 4.2706793 9.9314023 4.8770183 ] [ 0.04399472 6.6105003 7.2449793 ] [ 3.1603923 5.3478023 6.2162473 ] [ 4.9877063 6.7169553 6.7534893 ] [ 2.3363293 9.1927443 6.0358203 ] [ 0.7217219 8.8519663 7.8354983 ] [ 5.0272563 7.4111563 9.0174363 ] [ -0.03409687 8.7572203 10.1595093 ] [ 3.8729703 10.6636993 9.0383823 ] [ 2.9319113 8.5005703 9.0810683 ] [ 7.1648843 2.3524193 1.5976323 ] [ 9.2021943 1.7784773 2.7872753 ] [ 10.1390793 0.0910356 0.1938382 ] [ 7.8843933 4.3155963 0.2359658 ] [ 6.4157073 0.9791643 3.4070083 ] [ 7.2100913 2.2274973 5.2010583 ] [ 7.883055300000001 4.3359153 4.4178583 ] [ 6.1213403 4.1664113 2.8934593 ] [ 9.6213283 4.0546093 2.8895173 ] [ 9.2715983 1.3179283 6.1574033 ] [ 5.9512883 4.5845393 6.9338073 ] [ 7.987948299999999 5.2644653 7.8274843 ] [ 9.3323953 3.3342493 7.4925663 ] [ 5.8329373 1.1666843 9.7058743 ] [ 7.5608043 0.7389511 7.9889683 ] [ 6.3107123 4.2462273 9.2231233 ] [ 10.5161193 3.3630173 9.4832973 ] [ 6.8519103 5.9672363 1.6014323 ] [ 9.8648173 7.3519673 2.4963113 ] [ 7.017440300000001 10.6962293 1.4150243 ] [ 8.8271853 8.2873163 0.6375625 ] [ 8.3711163 9.2639883 2.7619623 ] [ 10.3735793 10.5271393 2.5196753 ] [ 6.5086783 7.7129133 3.1985103 ] [ 6.9361423 7.2180833 5.4520133 ] [ 8.8934953 6.0026633 5.8035263 ] [ 7.8230973 9.3281173 5.6068433 ] [ 5.9704623 10.3780093 6.558647300000001 ] [ 9.2496993 9.9288763 7.3272973 ] [ 9.9134733 5.4848903 10.3263093 ] [ 6.0304723 9.6156903 8.8397153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4385013e-10 1.2675793e-10 3.893908e-11 ] [ 4.722324300000001e-10 2.0636923000000001e-10 9.349565e-11 ] [ 3.3834593000000004e-10 4.377832e-12 5.806305000000001e-11 ] [ 1.5880733000000001e-10 3.4586803000000003e-10 1.3455793e-10 ] [ 3.7096883e-10 4.2277123000000003e-10 7.203531e-11 ] [ 2.7625103000000004e-10 7.731921000000001e-11 3.9205343e-10 ] [ 5.429148e-11 4.1515883000000005e-10 4.5102743e-10 ] [ 2.3737913e-10 3.0969483000000005e-10 3.5094933000000003e-10 ] [ 4.1708353000000003e-10 4.3775113000000003e-10 4.2982313000000006e-10 ] [ 5.6394860000000006e-11 2.6948963e-10 6.3091183e-10 ] [ 2.7584533e-10 1.6969463e-10 6.0967323e-10 ] [ 4.927674300000002e-10 2.7490763e-10 5.8122583e-10 ] [ 1.8827633e-10 2.3893673e-10 9.1260853e-10 ] [ 1.0335103000000001e-10 5.189152300000001e-10 8.8679963e-10 ] [ 4.1966953000000004e-10 3.0534693e-10 9.4718723e-10 ] [ 2.6942680000000002e-11 5.4608953e-10 1.6023983e-10 ] [ 4.8820523e-10 6.2803973e-10 3.7429750000000005e-11 ] [ 2.0617503e-10 8.8550703e-10 4.747595999999999e-11 ] [ 3.8451633e-10 7.9216563e-10 1.5941203e-10 ] [ 1.2732303e-10 6.2682153e-10 5.2907613e-10 ] [ 4.1755393000000016e-10 7.786362300000001e-10 3.8662423000000003e-10 ] [ 1.7772343e-10 8.172328300000001e-10 3.9828413000000004e-10 ] [ 8.584466e-11 1.03462793e-09 4.5969493000000003e-10 ] [ 4.2706793000000004e-10 9.931402300000001e-10 4.8770183e-10 ] [ 4.399472e-12 6.6105003e-10 7.2449793e-10 ] [ 3.1603923e-10 5.3478023e-10 6.2162473e-10 ] [ 4.9877063e-10 6.716955300000001e-10 6.7534893e-10 ] [ 2.3363293e-10 9.1927443e-10 6.0358203e-10 ] [ 7.217219e-11 8.851966300000001e-10 7.8354983e-10 ] [ 5.027256300000001e-10 7.4111563e-10 9.017436300000001e-10 ] [ -3.409687e-12 8.757220300000001e-10 1.01595093e-09 ] [ 3.8729703e-10 1.06636993e-09 9.0383823e-10 ] [ 2.9319113e-10 8.5005703e-10 9.0810683e-10 ] [ 7.1648843e-10 2.3524193e-10 1.5976323e-10 ] [ 9.202194300000001e-10 1.7784773e-10 2.7872753000000004e-10 ] [ 1.0139079300000002e-09 9.10356e-12 1.938382e-11 ] [ 7.8843933e-10 4.3155963e-10 2.359658e-11 ] [ 6.4157073e-10 9.791643e-11 3.4070083000000005e-10 ] [ 7.2100913e-10 2.2274973000000002e-10 5.2010583e-10 ] [ 7.883055300000002e-10 4.3359153e-10 4.4178583e-10 ] [ 6.1213403e-10 4.1664113000000004e-10 2.8934593e-10 ] [ 9.6213283e-10 4.0546093e-10 2.8895173e-10 ] [ 9.271598300000001e-10 1.3179283e-10 6.1574033e-10 ] [ 5.951288300000001e-10 4.5845393000000004e-10 6.9338073e-10 ] [ 7.9879483e-10 5.2644653e-10 7.8274843e-10 ] [ 9.3323953e-10 3.3342493e-10 7.4925663e-10 ] [ 5.8329373e-10 1.1666843e-10 9.7058743e-10 ] [ 7.5608043e-10 7.389511e-11 7.9889683e-10 ] [ 6.3107123e-10 4.2462273000000004e-10 9.223123299999999e-10 ] [ 1.05161193e-09 3.3630173e-10 9.4832973e-10 ] [ 6.8519103e-10 5.9672363e-10 1.6014323e-10 ] [ 9.864817300000001e-10 7.3519673e-10 2.4963113e-10 ] [ 7.017440300000002e-10 1.06962293e-09 1.4150243e-10 ] [ 8.8271853e-10 8.287316300000001e-10 6.375625e-11 ] [ 8.3711163e-10 9.2639883e-10 2.7619623e-10 ] [ 1.03735793e-09 1.0527139300000001e-09 2.5196753e-10 ] [ 6.5086783e-10 7.712913300000001e-10 3.1985103e-10 ] [ 6.936142300000001e-10 7.2180833e-10 5.4520133e-10 ] [ 8.8934953e-10 6.0026633e-10 5.8035263e-10 ] [ 7.8230973e-10 9.3281173e-10 5.6068433e-10 ] [ 5.970462300000001e-10 1.03780093e-09 6.558647300000001e-10 ] [ 9.2496993e-10 9.9288763e-10 7.327297299999999e-10 ] [ 9.9134733e-10 5.484890300000001e-10 1.03263093e-09 ] [ 6.0304723e-10 9.6156903e-10 8.8397153e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0011719 8.17e-05 -0.0001972 ] [ -1.21e-05 0.0003712 0.0001132 ] [ 0.0005037 -0.0003866 0.0010037 ] [ 0.000381 -0.0001336 0.0001187 ] [ -6.24e-05 0.0004103 -0.0001876 ] [ -0.0001235 0.0003717 -1.77e-05 ] [ 4.32e-05 -0.0005425 6.59e-05 ] [ 0.0001025 0.0001726 -3.78e-05 ] [ 0.0002524 -6.7e-05 -0.0002083 ] [ 0.0002441 -0.0004179 4.82e-05 ] [ 0.00014 -0.000289 0.0001684 ] [ 0.0002015 0.0003208 0.0004281 ] [ 0.0004742 -0.0004674 0.0001788 ] [ 0.0002842 0.0005266 -0.0001812 ] [ 0.0003077 7.59e-05 -0.0006468 ] [ 0.0006889 6.62e-05 0.0004375 ] [ 0.0001058 6.26e-05 -9.34e-05 ] [ -0.0006252 0.0003704 0.0001147 ] [ -0.0017186 -0.0014192 -0.0001459 ] [ -1.56e-05 -0.0001699 -0.0003156 ] [ -0.0005402 -0.0001446 -0.0003154 ] [ -0.0003959 0.0001765 -0.0001019 ] [ -0.0003799 0.0002145 0.0004188 ] [ 9.3e-05 -0.0002212 0.0001215 ] [ 0.0005306 4.77e-05 0.0001558 ] [ 4.65e-05 0.0007118 -0.0003913 ] [ 0.0009226 0.0007297 -0.0005492 ] [ -0.0002548 6e-07 7.22e-05 ] [ -0.0002048 0.000392 -0.0002779 ] [ -7.27e-05 0.0001454 -0.0003735 ] [ -0.0004802 -0.0005279 -5.02e-05 ] [ -5.17e-05 -0.0003081 -2.3e-05 ] [ 8.51e-05 0.0002816 -0.0001289 ] [ 0.0005213 7.66e-05 0.0001516 ] [ 0.0001294 1.36e-05 0.0002167 ] [ -0.0008783 -0.0020883 -2.08e-05 ] [ 0.0002004 -0.0001005 0.0002813 ] [ -5.02e-05 0.0002768 0.0003359 ] [ 0.000127 0.000106 -2.55e-05 ] [ 0.0002197 0.0001787 0.0001832 ] [ 0.0003193 -0.0001802 0.0003336 ] [ 6.1e-06 -5.24e-05 0.0002222 ] [ 1.91e-05 -0.0003821 -9.03e-05 ] [ 0.0006962 0.0005654 0.0001707 ] [ 0.0001022 -0.0001279 0.000291 ] [ -0.000139 -0.0003142 -3.41e-05 ] [ 1.89e-05 -0.0003618 0.000733 ] [ -0.0004394 -0.0002318 0.0002414 ] [ 0.0002177 -1.88e-05 -9.47e-05 ] [ 6.36e-05 -3.78e-05 -4.32e-05 ] [ -3.3e-06 -9.06e-05 0.0006109 ] [ -0.000639 -0.0008367 0.0004943 ] [ 0.0003 -0.0004415 -0.0003017 ] [ 0.0004608 0.0028125 -0.0004557 ] [ 0.0005954 -9.66e-05 -0.0001159 ] [ 0.0001708 0.0002271 0.0001083 ] [ -0.0009528 0.000862 -0.0007808 ] [ 0.0001458 -0.0001522 -0.0018128 ] [ -0.0002632 0.0004372 0.0003259 ] [ -0.0015071 0.0003807 -9.18e-05 ] [ -0.0010843 0.0006744 0.0003195 ] [ -0.0005318 -0.0010037 -0.0003451 ] [ 0.0004284 -0.0001233 0.0002033 ] [ 0.0001047 -0.0004055 -0.0002134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.8775907819155202e-12 1.3089782991936e-13 -3.1594922962176e-13 ] [ -1.938633711168e-14 5.947279616409601e-13 1.8136639347456002e-13 ] [ 8.070163638969601e-13 -6.194014816012801e-13 1.60810467429696e-12 ] [ 6.104292925248e-13 -2.1405079653887999e-13 1.9017836488896e-13 ] [ -9.997582113792e-14 6.5737306751424e-13 -3.0056833406208e-13 ] [ -1.978688126688e-13 5.9552904995136e-13 -2.835852618816e-14 ] [ 6.921403001856e-14 -8.691808167840001e-13 1.0558343931072001e-13 ] [ 1.64223103632e-13 2.7653568475008e-13 -6.056227626624e-14 ] [ 4.0438937908992e-13 -1.0734583359360001e-13 -3.3373339011264e-13 ] [ 3.9109131313728e-13 -6.695496098323201e-13 7.722491312256e-14 ] [ 2.2430472691199998e-13 -4.630290434112e-13 2.6980654294272e-13 ] [ 3.228385890912e-13 5.139782599526401e-13 6.8589181136448e-13 ] [ 7.5975215358336e-13 -7.4885735256192e-13 2.8646917979904e-13 ] [ 4.553385956313601e-13 8.4370620851328e-13 -2.9031440368896004e-13 ] [ 4.9298974622016e-13 1.2160520551872002e-13 -1.03628783833344e-12 ] [ 1.10373947406912e-12 1.0606409229696e-13 7.009522716000001e-13 ] [ 1.6951028648064001e-13 1.0029625646208001e-13 -1.4964329638272e-13 ] [ -1.00168082332416e-12 5.9344622034432e-13 1.8376965840576e-13 ] [ -2.7535007405068802e-12 -2.27380906023936e-12 -2.3375756897472e-13 ] [ -2.499395528448e-14 -2.7220980787392003e-13 -5.0564694152448e-13 ] [ -8.654958105561601e-13 -2.3167473936768e-13 -5.0532650620032e-13 ] [ -6.343017241747199e-13 2.827841735712e-13 -1.6326179765952e-13 ] [ -6.086668982419201e-13 3.4366688516160005e-13 6.7099156879104e-13 ] [ 1.490024257344e-13 -3.5440146852096005e-13 1.946644594272e-13 ] [ 8.501149149964801e-13 7.642382481216e-14 2.4961911752064e-13 ] [ 7.45012128672e-14 1.14042931868544e-12 -6.2693171171904e-13 ] [ 1.47816815035008e-12 1.16910828019776e-12 -8.799154001433601e-13 ] [ -4.0823460297984005e-13 9.6130597248e-16 1.1567715202176002e-13 ] [ -3.2812577193984e-13 6.280532353536e-13 -4.4524488292031996e-13 ] [ -1.1647824033216e-13 2.3295648066432e-13 -5.984129678688001e-13 ] [ -7.6936521330816e-13 -8.457890381203201e-13 -8.042926636416e-14 ] [ -8.283253129536e-14 -4.9363061686848e-13 -3.6850062278400004e-14 ] [ 1.3634523043008e-13 4.5117293641728e-13 -2.0652056642112e-13 ] [ 8.352146724230401e-13 1.2272672915328002e-13 2.4288997571328003e-13 ] [ 2.0732165473152002e-13 2.1789602042880002e-14 3.4719167372736e-13 ] [ -1.4071917260486402e-12 -3.34582543721664e-12 -3.3325273712640004e-14 ] [ 3.2107619480832e-13 -1.610187503904e-13 4.5069228343104003e-13 ] [ -8.042926636416e-14 4.4348248863744e-13 5.3817112692672e-13 ] [ 2.034764308416e-13 1.6983072180480002e-13 -4.08555038304e-14 ] [ 3.5199820358976003e-13 2.8630896213696003e-13 2.9351875693056e-13 ] [ 5.115749950214401e-13 -2.8871222706816e-13 5.3448612069888e-13 ] [ 9.77327738688e-15 -8.395405492992e-14 3.5600364514176004e-13 ] [ 3.060157345728e-14 -6.1219168680768e-13 -1.4467654885824e-13 ] [ 1.1154353634009601e-12 9.0587066140032e-13 2.7349154917056e-13 ] [ 1.6374245064576002e-13 -2.0491838980032e-13 4.662333966528001e-13 ] [ -2.227025502912e-13 -5.0340389425536e-13 -5.463422276928001e-14 ] [ 3.028113813312e-14 -5.7966750140544e-13 1.1743954630464002e-12 ] [ -7.039964071795201e-13 -3.7138454070144e-13 3.8676543626112004e-13 ] [ 3.4879385034816e-13 -3.012092047104e-14 -1.5172612598976e-13 ] [ 1.0189843308288001e-13 -6.056227626624e-14 -6.921403001856e-14 ] [ -5.28718284864e-15 -1.4515720184448002e-13 9.787696976467201e-13 ] [ -1.0237908606912e-12 -1.34054117862336e-12 7.919559036614401e-13 ] [ 4.806529862399999e-13 -7.073609780832e-13 -4.833766864953601e-13 ] [ 7.3828298686464e-13 4.506121746e-12 -7.3011188609856e-13 ] [ 9.5393596002432e-13 -1.5477026156928e-13 -1.8569227035072e-13 ] [ 2.7365176683264003e-13 3.6385431058368e-13 1.7351572803264002e-13 ] [ -1.52655388429824e-12 1.3810762471296001e-12 -1.25097950552064e-12 ] [ 2.3359735131264e-13 -2.4385128168576005e-13 -2.9044257781862403e-12 ] [ -4.2169288659456004e-13 7.0047161861376e-13 5.221493607187201e-13 ] [ -2.41464038520768e-12 6.0994863953856e-13 -1.4707981378944e-13 ] [ -1.7372401099334402e-12 1.08050791306752e-12 5.118954303456e-13 ] [ -8.520375269414401e-13 -1.60810467429696e-12 -5.5291115183808e-13 ] [ 6.8637246435072e-13 -1.9754837734463999e-13 3.2572250700864e-13 ] [ 1.6774789219776e-13 -6.496826197344e-13 -3.4190449087872004e-13 ] ] } "unrelaxed-potential-energy" { "source-value" -276.66406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.432646887476085e-17 } }