{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03266e-09 0.0 0.0 ] "source-value" [ 10.3266 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.46418e-10 9.071630000000001e-10 0.0 ] "source-value" [ -5.46418 9.07163 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.00466e-11 -1.99298e-12 1.00183e-09 ] "source-value" [ -0.100466 -0.0199298 10.0183 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.7170175766746434e-10 9.36619426823753e-09 -7.604901161349006e-09 ] [ -5.9545467691262245e-09 4.635111703999311e-09 -3.769443339021091e-09 ] [ -9.021645064410854e-10 1.0150503143105553e-08 9.295980319789929e-09 ] [ -5.880173570171027e-09 -7.433536675865114e-09 9.041032683263832e-09 ] [ -2.9605649254554377e-09 -2.515689824899198e-09 1.8686948404244238e-08 ] [ -4.692178992184939e-09 -2.534579327040768e-11 1.0654847835472647e-09 ] [ -1.591205395953748e-09 2.502104809113773e-10 -2.45165066514816e-12 ] [ -1.4545695306846548e-09 9.105914748135072e-10 -1.551178794219885e-08 ] [ 1.2767266760780906e-08 -4.155231767978848e-09 1.6500747162718532e-08 ] [ 0.0 0.0 0.0 ] [ 1.1113138922180816e-08 6.6544361567559865e-09 -1.257284070523488e-10 ] [ -2.8812219348401798e-09 3.5368013656274345e-09 -1.3832655573948583e-08 ] [ -1.5989453509911705e-09 1.1761915030383168e-10 4.7597075323984175e-09 ] [ -9.08668542433223e-10 -1.25551799123438e-09 -2.6029102373059434e-09 ] [ 2.0460820840653312e-10 -1.0551582745732224e-10 2.8149261093187454e-09 ] [ 6.762679369474897e-09 -8.11544435462665e-10 -3.5123787465259314e-09 ] [ 5.36260066675196e-09 4.573908717302413e-09 3.089010079316612e-08 ] [ -6.990807690892436e-10 1.0191344227346367e-08 -3.3883097137997456e-09 ] [ -5.595916675849987e-09 6.40804478425561e-09 5.08989482499624e-09 ] [ -3.583799294186657e-09 -1.6321716101886453e-09 -3.101637650375213e-08 ] [ -3.729209319501899e-09 -1.1111564943868544e-08 -1.0808873084913255e-09 ] [ 2.852417202463127e-09 -1.4213874915619144e-08 -1.2083755303221949e-08 ] [ -6.629420732304787e-10 -1.4602862250417988e-08 1.5450081551607696e-08 ] [ -1.6256304036989048e-09 -3.177162381733079e-09 -6.004178035179395e-09 ] [ -1.4534939734973454e-08 -1.0158705005662753e-09 -1.0613973105522796e-09 ] [ 9.67743870621231e-09 8.652290481487969e-10 -2.3113640802309123e-11 ] [ 2.758819326017288e-09 -1.470809994001394e-08 1.147649046974089e-09 ] [ -1.9938238892246977e-10 -1.1658561820928603e-09 2.022926946888543e-09 ] [ 6.768404747629325e-10 2.808953675529389e-10 5.439564745520654e-09 ] [ 4.843305904118519e-09 1.0443770198088985e-08 5.698197708709915e-09 ] [ -1.8895981984695084e-08 9.969107269581172e-09 -8.276882554856374e-09 ] [ -6.229891395776402e-09 -6.400211742756519e-10 -6.3723454052262686e-09 ] [ 5.1644740638648736e-09 -8.571182052454252e-09 -1.7897287298156772e-08 ] [ -1.0399566465556439e-08 -9.17237335480118e-09 -4.5761272512692355e-10 ] [ -3.296769993440986e-10 -3.1817321098909246e-10 -1.4042619858798453e-09 ] [ -4.054163743038528e-10 -1.287737602861006e-09 1.6274753901865872e-08 ] [ 8.35977789147527e-10 -8.568971208935208e-09 4.775531109358424e-09 ] [ 6.229072042652525e-10 2.5987077280295847e-09 1.9251996204202542e-08 ] [ -5.814371375266461e-09 5.26082159582733e-09 -1.85614688152211e-08 ] [ 4.0737343304616e-10 1.477212612213435e-09 -4.205945464557029e-09 ] [ -3.0588083130132866e-10 -1.8260759970269378e-10 1.2973989361673909e-08 ] [ -1.1696004368121375e-08 1.4043766216170633e-08 -1.5567602007831688e-09 ] [ 5.463507512724227e-09 -7.529599821477377e-09 -6.005433821214778e-10 ] [ 6.239309630824113e-09 4.7637837901570556e-11 -1.325382889483374e-08 ] [ -3.450388290019911e-09 1.7365468160660876e-08 1.26655881463304e-08 ] [ 1.6747848459679586e-08 -6.28884444584471e-10 -7.830552998363774e-09 ] [ 1.6325848756262142e-08 5.3414368748971644e-09 5.97265328755321e-10 ] [ 0.0 0.0 0.0 ] [ 2.003034161747029e-09 -3.2451263935520908e-09 5.885563772976384e-11 ] [ 3.03846018927614e-09 -9.785426371760203e-09 -2.1323213235094986e-09 ] [ 1.726238764166717e-08 -1.4418264266699276e-08 -1.323538623975171e-08 ] [ 1.0217575383417428e-09 2.8550918761138906e-09 1.0659850792188758e-08 ] [ 9.220897036156391e-09 5.231860010359101e-09 -1.5570901530364564e-08 ] [ 4.7701902535929865e-09 -4.078977453453169e-09 -1.131566430098031e-08 ] [ 2.3343881593601186e-09 -9.815494901055742e-09 4.8010126069886126e-09 ] [ -4.722337083153581e-10 -3.090095618064269e-10 1.172910517688944e-08 ] [ 0.0 0.0 0.0 ] [ 8.08370203141536e-10 1.3046610740711922e-09 6.314589821964346e-10 ] [ -1.0386248051960714e-08 5.934325537777446e-09 2.0659308093497742e-09 ] [ -8.00872561296243e-09 6.990525707807174e-10 2.8388038281515136e-09 ] [ 1.6052742690786548e-09 -2.9559927940326606e-09 2.3418095215764953e-08 ] [ -1.0788702001692707e-08 -3.789600483305038e-09 -6.18994688957259e-10 ] [ -7.306595260893156e-09 1.1253561211457846e-08 -5.030791330543238e-10 ] [ 2.781998976496374e-09 1.1459916913904686e-08 -2.5231367418326766e-08 ] ] "source-value" [ [ 0.1695829 5.8459187 -4.746606 ] [ -3.7165358 2.8930092 -2.3527015 ] [ -0.5630868 6.3354458 5.8020946 ] [ -3.6701157 -4.6396487 5.6429688 ] [ -1.8478393 -1.5701701 11.6634759 ] [ -2.9286278 -0.0158196 0.6650233 ] [ -0.9931523 0.1561691 -0.0015302 ] [ -0.9078709 0.5683465 -9.6816966 ] [ 7.9687012 -2.5934917 10.2989564 ] [ 0.0 0.0 0.0 ] [ 6.9362758 4.1533724 -0.0784735 ] [ -1.7983173 2.2074978 -8.6336646 ] [ -0.9979832 0.0734121 2.9707758 ] [ -0.5671463 -0.7836327 -1.6246088 ] [ 0.1277064 -0.0658578 1.7569387 ] [ 4.2209325 -0.5065262 -2.1922544 ] [ 3.3470721 2.8548093 19.2800846 ] [ -0.4363319 6.3609368 -2.1148166 ] [ -3.4926965 3.999587 3.1768625 ] [ -2.2368316 -1.0187214 -19.3588997 ] [ -2.3275894 -6.9352934 -0.6746368 ] [ 1.7803388 -8.871603 -7.5420869 ] [ -0.4137759 -9.1143898 9.6431825 ] [ -1.0146387 -1.9830288 -3.7475132 ] [ -9.0719959 -0.6340565 -0.6624721 ] [ 6.0401822 0.5400335 -0.0144264 ] [ 1.7219196 -9.180074 0.7163062 ] [ -0.1244447 -0.7276702 1.2626117 ] [ 0.4224506 0.1753211 3.3951093 ] [ 3.0229538 6.5184887 3.5565353 ] [ -11.7939444 6.2222274 -5.1660238 ] [ -3.8883924 -0.3994698 -3.9773052 ] [ 3.2234112 -5.3497111 -11.1706082 ] [ -6.4908989 -5.7249452 -0.2856194 ] [ -0.2057682 -0.1985881 -0.8764714 ] [ -0.253041 -0.8037426 10.1579025 ] [ 0.5217763 -5.3483312 2.9806521 ] [ 0.3887881 1.6219858 12.016151 ] [ -3.6290452 3.2835466 -11.5851577 ] [ 0.2542625 0.9220036 -2.6251447 ] [ -0.1909158 -0.1139747 8.0977273 ] [ -7.3000718 8.7654295 -0.9716533 ] [ 3.4100532 -4.6996066 -0.3748297 ] [ 3.8942708 0.029733199999999998 -8.2723894 ] [ -2.153563 10.8386728 7.9052384 ] [ 10.4531849 -0.3925188 -4.8874468 ] [ 10.1897934 3.3338627 0.3727837 ] [ 0.0 0.0 0.0 ] [ 1.2501956 -2.0254486 0.0367348 ] [ 1.8964577 -6.1075828 -1.3308903 ] [ 10.774335 -8.9991728 -8.2608784 ] [ 0.6377309 1.7820082 6.6533556 ] [ 5.7552313 3.2654702 -9.7185924 ] [ 2.9773186 -2.5458975 -7.0626822 ] [ 1.4570105 -6.1263501 2.9965564 ] [ -0.2947451 -0.1928686 7.3207317 ] [ 0.0 0.0 0.0 ] [ 0.504545 0.8143054 0.3941257 ] [ -6.4825862 3.7039147 1.2894526 ] [ -4.9986534 0.4363143 1.771842 ] [ 1.0019334 -1.8449856 14.6164255 ] [ -6.7337782 -2.3652826 -0.3863461 ] [ -4.5604181 7.0239205 -0.3139973 ] [ 1.7363872 7.1527176 -15.748181 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.79513e-12 1.89385e-11 1.81226e-11 ] [ -5.714190000000001e-12 1.84695e-12 2.66513e-10 ] [ -9.26515e-12 -4.311220000000001e-12 4.80401e-10 ] [ -1.23731e-11 6.85428e-13 7.75749e-10 ] [ -1.38977e-10 2.19543e-10 -3.65932e-11 ] [ -1.3734900000000001e-10 2.27203e-10 2.5969699999999997e-10 ] [ -1.40342e-10 2.26383e-10 5.12911e-10 ] [ -1.50591e-10 2.32681e-10 7.790070000000001e-10 ] [ -2.4512600000000003e-10 4.36314e-10 -2.3005800000000002e-11 ] [ -2.62147e-10 4.44532e-10 2.61212e-10 ] [ -2.7461700000000006e-10 4.5467199999999996e-10 5.268360000000001e-10 ] [ -2.7987700000000005e-10 4.62104e-10 7.93943e-10 ] [ -4.02377e-10 6.860350000000001e-10 -3.5710599999999996e-11 ] [ -4.02656e-10 6.82079e-10 2.7766000000000005e-10 ] [ -3.87725e-10 6.73954e-10 4.85516e-10 ] [ -4.01886e-10 6.73891e-10 7.59605e-10 ] [ 2.66218e-10 3.1473e-13 -2.47979e-11 ] [ 2.5539200000000005e-10 7.19378e-12 2.77134e-10 ] [ 2.67435e-10 9.55452e-12 4.897140000000001e-10 ] [ 2.40711e-10 -4.08425e-12 8.085699999999999e-10 ] [ 1.13065e-10 2.19353e-10 1.62515e-11 ] [ 1.27678e-10 2.01757e-10 2.50584e-10 ] [ 1.1471499999999999e-10 1.9044600000000002e-10 5.42692e-10 ] [ 1.2152e-10 2.2442899999999999e-10 7.78517e-10 ] [ -1.14082e-11 4.5236200000000005e-10 2.12361e-12 ] [ -8.15059e-12 4.57243e-10 2.68469e-10 ] [ -1.09772e-11 4.5717600000000004e-10 5.23031e-10 ] [ -2.7563700000000003e-11 4.5432300000000007e-10 7.42247e-10 ] [ -1.4958600000000001e-10 6.896110000000001e-10 -6.62913e-13 ] [ -1.50729e-10 6.78556e-10 2.7701699999999996e-10 ] [ -1.1253e-10 6.61949e-10 4.99733e-10 ] [ -1.6791799999999998e-10 6.7994e-10 7.985210000000001e-10 ] [ 5.33202e-10 7.78809e-13 1.7151900000000002e-11 ] [ 4.90447e-10 -1.94881e-11 2.90291e-10 ] [ 5.46164e-10 3.42809e-11 5.27141e-10 ] [ 5.282190000000001e-10 1.9285600000000002e-11 7.806470000000001e-10 ] [ 3.8922000000000003e-10 1.9626200000000002e-10 -6.55306e-12 ] [ 3.84639e-10 2.27134e-10 2.66975e-10 ] [ 3.92287e-10 2.5935700000000005e-10 5.050670000000001e-10 ] [ 3.83261e-10 2.33167e-10 7.91653e-10 ] [ 2.61656e-10 4.6132e-10 -2.8943000000000002e-11 ] [ 2.33757e-10 4.80677e-10 2.6760600000000004e-10 ] [ 2.4837600000000004e-10 4.5772199999999996e-10 5.21093e-10 ] [ 2.50842e-10 4.5919299999999997e-10 7.85151e-10 ] [ 9.98103e-11 7.061960000000001e-10 8.10863e-12 ] [ 1.41073e-10 6.86877e-10 2.3328000000000005e-10 ] [ 8.440980000000001e-11 6.60999e-10 5.10135e-10 ] [ 1.3531200000000001e-10 6.95955e-10 7.62211e-10 ] [ 7.94116e-10 -4.77541e-12 1.10086e-11 ] [ 8.01219e-10 -1.18982e-11 2.63786e-10 ] [ 7.99147e-10 -2.38257e-11 5.58103e-10 ] [ 7.777540000000001e-10 2.43694e-11 7.42208e-10 ] [ 6.58925e-10 2.3600800000000003e-10 2.8228500000000002e-11 ] [ 6.54864e-10 2.2621400000000002e-10 3.15629e-10 ] [ 6.5125e-10 2.70174e-10 5.05537e-10 ] [ 6.582290000000001e-10 2.41464e-10 7.909510000000001e-10 ] [ 5.19212e-10 4.5241800000000006e-10 1.3819400000000001e-11 ] [ 5.16726e-10 4.6322200000000005e-10 3.1106400000000004e-10 ] [ 5.4806e-10 4.46265e-10 5.573990000000001e-10 ] [ 4.92052e-10 4.6309300000000003e-10 7.62948e-10 ] [ 3.9239000000000003e-10 6.6838e-10 -4.87774e-12 ] [ 3.78667e-10 6.77732e-10 2.60113e-10 ] [ 3.80215e-10 6.83963e-10 5.60231e-10 ] [ 3.7910800000000003e-10 6.88965e-10 8.23077e-10 ] ] "source-value" [ [ 0.0779513 0.189385 0.181226 ] [ -0.0571419 0.0184695 2.66513 ] [ -0.0926515 -0.0431122 4.80401 ] [ -0.123731 0.00685428 7.75749 ] [ -1.38977 2.19543 -0.365932 ] [ -1.37349 2.27203 2.59697 ] [ -1.40342 2.26383 5.12911 ] [ -1.50591 2.32681 7.79007 ] [ -2.45126 4.36314 -0.230058 ] [ -2.62147 4.44532 2.61212 ] [ -2.74617 4.54672 5.26836 ] [ -2.79877 4.62104 7.93943 ] [ -4.02377 6.86035 -0.357106 ] [ -4.02656 6.82079 2.7766 ] [ -3.87725 6.73954 4.85516 ] [ -4.01886 6.73891 7.59605 ] [ 2.66218 0.0031473 -0.247979 ] [ 2.55392 0.0719378 2.77134 ] [ 2.67435 0.0955452 4.89714 ] [ 2.40711 -0.0408425 8.0857 ] [ 1.13065 2.19353 0.162515 ] [ 1.27678 2.01757 2.50584 ] [ 1.14715 1.90446 5.42692 ] [ 1.2152 2.24429 7.78517 ] [ -0.114082 4.52362 0.0212361 ] [ -0.0815059 4.57243 2.68469 ] [ -0.109772 4.57176 5.23031 ] [ -0.275637 4.54323 7.42247 ] [ -1.49586 6.89611 -0.00662913 ] [ -1.50729 6.78556 2.77017 ] [ -1.1253 6.61949 4.99733 ] [ -1.67918 6.7994 7.98521 ] [ 5.33202 0.00778809 0.171519 ] [ 4.90447 -0.194881 2.90291 ] [ 5.46164 0.342809 5.27141 ] [ 5.28219 0.192856 7.80647 ] [ 3.8922 1.96262 -0.0655306 ] [ 3.84639 2.27134 2.66975 ] [ 3.92287 2.59357 5.05067 ] [ 3.83261 2.33167 7.91653 ] [ 2.61656 4.6132 -0.28943 ] [ 2.33757 4.80677 2.67606 ] [ 2.48376 4.57722 5.21093 ] [ 2.50842 4.59193 7.85151 ] [ 0.998103 7.06196 0.0810863 ] [ 1.41073 6.86877 2.3328 ] [ 0.844098 6.60999 5.10135 ] [ 1.35312 6.95955 7.62211 ] [ 7.94116 -0.0477541 0.110086 ] [ 8.01219 -0.118982 2.63786 ] [ 7.99147 -0.238257 5.58103 ] [ 7.77754 0.243694 7.42208 ] [ 6.58925 2.36008 0.282285 ] [ 6.54864 2.26214 3.15629 ] [ 6.5125 2.70174 5.05537 ] [ 6.58229 2.41464 7.90951 ] [ 5.19212 4.52418 0.138194 ] [ 5.16726 4.63222 3.11064 ] [ 5.4806 4.46265 5.57399 ] [ 4.92052 4.63093 7.62948 ] [ 3.9239 6.6838 -0.0487774 ] [ 3.78667 6.77732 2.60113 ] [ 3.80215 6.83963 5.60231 ] [ 3.79108 6.88965 8.23077 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.626706584602989e-18 "source-value" -60.085177 } }