{ "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" [ 10.7113794 0 0 ] "si-unit" "m" "si-value" [ 1.07113794e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7113794 0 ] "si-unit" "m" "si-value" [ 0.0 1.07113794e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7113794 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07113794e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9887644 2.4584064 0.5885497000000001 ] [ 0.9500904000000001 4.901949399999999 0.1983717 ] [ 4.6861614 3.0035424 1.1029284 ] [ 3.0730824 4.7303234 1.2610854 ] [ 0.8910138000000001 1.6681864 4.456867399999999 ] [ 4.007924399999999 2.4719514 3.3080064 ] [ 4.334059399999999 0.1316205 3.7933434 ] [ 1.7809124 3.2851064 2.7838204 ] [ 5.1212754 3.9104734 4.8279184 ] [ 1.9951924 0.2197522 5.895524399999999 ] [ 1.3034654 5.0674794 6.1987254 ] [ 2.1829784 3.8074784 7.9757314 ] [ 5.3060224 2.6806814 6.8691444 ] [ 1.6018324 0.2403158 8.1719224 ] [ 3.3901744 1.8060034 8.0921834 ] [ 3.1252364 1.8722914 10.4520994 ] [ 0.2191809 3.4439144 9.221729400000001 ] [ 3.8452164 5.2184994 8.909530400000001 ] [ 1.4455934 9.7468634 1.6262654 ] [ -0.01083125 8.1847224 0.5970185 ] [ 3.4397144 10.2974394 0.2662605 ] [ 0.1382896 7.429113399999999 4.395402399999999 ] [ 3.2520714 6.3655354 2.9000734 ] [ 4.2685194 6.1043654 4.984685399999999 ] [ 2.0792264 8.2961404 3.3930474 ] [ 3.3188544 9.2050154 5.1634534 ] [ 0.2873898 7.119522399999999 6.827770399999999 ] [ 2.5090904 7.9956354 7.0399154 ] [ 4.4927864 6.794810399999999 7.2773324 ] [ 4.3503954 7.441841399999999 9.5799284 ] [ 2.5326474 9.0104764 9.1849334 ] [ 9.0902124 1.0230834 2.0135984 ] [ 6.306069399999999 4.4861204 0.1012846 ] [ 8.847170400000001 3.4071624 2.0729844 ] [ 10.6621994 4.908869399999999 2.3378384 ] [ 6.2568354 0.08832179999999999 5.183421399999999 ] [ 7.2527154 4.007567399999999 3.7768624 ] [ 10.0001594 4.238155399999999 5.3759954 ] [ 7.432455399999999 1.8841684 6.1456114 ] [ 7.947610399999999 0.328857 7.853592399999999 ] [ 9.788850400000001 1.9869934 5.9243934 ] [ 9.9643694 5.029376399999999 7.6274954 ] [ 7.2784254 1.4045704 9.8953764 ] [ 9.515848400000001 0.6480317 9.6084254 ] [ 5.9536554 4.232831399999999 8.5018244 ] [ 8.340816400000001 3.4645604 10.4876094 ] [ 9.484470400000001 7.1081384 2.4318594 ] [ 6.874594399999999 8.964606400000001 0.5571542 ] [ 5.5722314 9.313364400000001 2.4687684 ] [ 9.0535274 9.8496594 0.5741773 ] [ 5.881175399999999 7.6374114 4.113765399999999 ] [ 7.278091399999999 6.1951424 2.8855294 ] [ 8.240838400000001 5.738358399999999 5.038194399999999 ] [ 7.4422494 10.6025194 3.2090754 ] [ 9.0648204 9.0268434 4.0915474 ] [ 10.6628994 10.6381294 3.2600174 ] [ 7.587242399999999 5.5347724 7.3160254 ] [ 6.4258994 9.2172864 7.9338484 ] [ 7.2448634 8.6968624 5.723115399999999 ] [ 10.1385994 10.0429994 7.7601254 ] [ 7.841704399999999 7.472994399999999 8.6148334 ] [ 6.486320399999999 6.8353144 10.4079894 ] [ 10.1345994 8.0026744 8.9267274 ] [ 5.6318144 10.3502494 9.9096054 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.887644e-11 2.4584064e-10 5.885497000000001e-11 ] [ 9.500904000000002e-11 4.901949399999999e-10 1.983717e-11 ] [ 4.6861614e-10 3.0035424e-10 1.1029284e-10 ] [ 3.0730824e-10 4.7303234e-10 1.2610854e-10 ] [ 8.910138000000002e-11 1.6681864e-10 4.4568673999999994e-10 ] [ 4.0079243999999993e-10 2.4719514e-10 3.3080064e-10 ] [ 4.3340593999999996e-10 1.316205e-11 3.7933434e-10 ] [ 1.7809124000000002e-10 3.2851064000000004e-10 2.7838204e-10 ] [ 5.121275400000001e-10 3.9104734e-10 4.8279184e-10 ] [ 1.9951924000000003e-10 2.197522e-11 5.895524399999999e-10 ] [ 1.3034654000000001e-10 5.0674794e-10 6.1987254e-10 ] [ 2.1829784e-10 3.8074784e-10 7.9757314e-10 ] [ 5.3060224e-10 2.6806814e-10 6.8691444e-10 ] [ 1.6018324e-10 2.403158e-11 8.1719224e-10 ] [ 3.3901744e-10 1.8060034000000002e-10 8.0921834e-10 ] [ 3.1252364e-10 1.8722914e-10 1.04520994e-09 ] [ 2.1918090000000003e-11 3.4439144000000004e-10 9.221729400000001e-10 ] [ 3.8452164e-10 5.2184994e-10 8.909530400000001e-10 ] [ 1.4455934e-10 9.746863400000001e-10 1.6262654e-10 ] [ -1.0831250000000002e-12 8.1847224e-10 5.970185e-11 ] [ 3.4397144e-10 1.02974394e-09 2.6626050000000004e-11 ] [ 1.3828960000000001e-11 7.429113399999999e-10 4.3954023999999995e-10 ] [ 3.2520714000000004e-10 6.3655354e-10 2.9000734e-10 ] [ 4.2685194e-10 6.1043654e-10 4.984685399999999e-10 ] [ 2.0792264000000002e-10 8.296140400000001e-10 3.3930474000000003e-10 ] [ 3.3188544000000003e-10 9.205015400000001e-10 5.1634534e-10 ] [ 2.8738979999999998e-11 7.1195224e-10 6.827770399999998e-10 ] [ 2.5090904e-10 7.9956354e-10 7.0399154e-10 ] [ 4.4927864e-10 6.7948104e-10 7.2773324e-10 ] [ 4.3503954e-10 7.441841399999998e-10 9.5799284e-10 ] [ 2.5326474000000003e-10 9.0104764e-10 9.184933400000001e-10 ] [ 9.090212400000001e-10 1.0230834e-10 2.0135983999999998e-10 ] [ 6.3060694e-10 4.4861204e-10 1.0128460000000001e-11 ] [ 8.847170400000002e-10 3.4071624e-10 2.0729844000000003e-10 ] [ 1.06621994e-09 4.908869399999999e-10 2.3378384e-10 ] [ 6.2568354e-10 8.83218e-12 5.183421399999999e-10 ] [ 7.2527154e-10 4.007567399999999e-10 3.7768624e-10 ] [ 1.00001594e-09 4.238155399999999e-10 5.3759954e-10 ] [ 7.4324554e-10 1.8841684000000002e-10 6.1456114e-10 ] [ 7.947610399999999e-10 3.28857e-11 7.8535924e-10 ] [ 9.788850400000002e-10 1.9869934e-10 5.9243934e-10 ] [ 9.964369400000001e-10 5.0293764e-10 7.6274954e-10 ] [ 7.2784254e-10 1.4045704000000002e-10 9.895376400000001e-10 ] [ 9.515848400000002e-10 6.480317e-11 9.608425400000001e-10 ] [ 5.9536554e-10 4.2328313999999994e-10 8.501824400000001e-10 ] [ 8.340816400000001e-10 3.4645604e-10 1.04876094e-09 ] [ 9.484470400000002e-10 7.1081384e-10 2.4318594e-10 ] [ 6.8745944e-10 8.964606400000001e-10 5.571542000000001e-11 ] [ 5.5722314e-10 9.3133644e-10 2.4687684e-10 ] [ 9.053527400000001e-10 9.8496594e-10 5.741773e-11 ] [ 5.881175399999999e-10 7.637411400000001e-10 4.113765399999999e-10 ] [ 7.2780914e-10 6.1951424e-10 2.8855293999999997e-10 ] [ 8.240838400000002e-10 5.738358399999999e-10 5.038194399999999e-10 ] [ 7.4422494e-10 1.06025194e-09 3.2090754000000003e-10 ] [ 9.0648204e-10 9.026843400000001e-10 4.0915474e-10 ] [ 1.0662899400000002e-09 1.0638129400000001e-09 3.2600174e-10 ] [ 7.587242399999999e-10 5.534772399999999e-10 7.3160254e-10 ] [ 6.4258994e-10 9.217286400000001e-10 7.9338484e-10 ] [ 7.2448634e-10 8.696862400000001e-10 5.7231154e-10 ] [ 1.01385994e-09 1.0042999399999999e-09 7.7601254e-10 ] [ 7.8417044e-10 7.4729944e-10 8.614833400000001e-10 ] [ 6.4863204e-10 6.8353144e-10 1.04079894e-09 ] [ 1.01345994e-09 8.0026744e-10 8.926727400000001e-10 ] [ 5.6318144e-10 1.0350249399999999e-09 9.9096054e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6372297 -0.9813463 0.3450076 ] [ 0.4211784 1.4189908 0.4595863 ] [ 0.2703633 0.9190517 -0.7485623 ] [ -0.1092273 0.8063542 0.5030913 ] [ 0.1076608 -0.4427446 -0.1393549 ] [ 0.198709 -0.3824035 0.35669 ] [ 0.1688217 0.9889735 0.1385359 ] [ -0.8704307 -0.9409209 1.2500306 ] [ -0.4155293 -0.9735689 -0.192474 ] [ 0.2771721 0.6613601 -0.0204789 ] [ 2.3147451 -0.7982185 -0.5285923 ] [ 0.5224083 0.4807355 0.1108342 ] [ 0.0006438 0.4155739 0.2938568 ] [ 0.1274953 -0.7297556 -0.7392722 ] [ 0.1230958 0.785503 -0.1890513 ] [ 0.6063808 -0.9518287 0.4673158 ] [ -5.5964497 0.3433434 0.545648 ] [ -0.6741271 -2.0779599 0.0301745 ] [ 1.1843435 -0.9238579 0.3073392 ] [ -0.7274833 -0.0357613 -0.4754069 ] [ -0.6017387 0.5881365 -0.2205657 ] [ 0.6268108 0.4410237 1.2998235 ] [ 0.0643619 0.447611 -0.0272215 ] [ 1.3357278 -0.5753785 0.0629091 ] [ -0.0497479 -0.5297965 -0.1090304 ] [ -1.2346816 0.2863309 -0.5232253 ] [ 0.9813729 1.2004302 -0.1312507 ] [ -0.1857924 0.4426969 0.0282932 ] [ -0.1732223 0.1043936 -2.1892741 ] [ -0.2631853 0.8349667 1.1333353 ] [ 0.2724735 0.1571972 0.4929689 ] [ -0.5729918 0.9370099 0.1981641 ] [ -0.0132933 -0.044731 0.0945518 ] [ 0.166406 -0.8693773 0.1714572 ] [ -0.9834237 0.1746978 0.1838013 ] [ 0.3770769 0.8576773 0.228783 ] [ -0.6495787 -1.5797717 -0.7265289 ] [ -0.3367996 -0.8418805 -1.262031 ] [ -0.3143399 -1.3092541 0.5388869 ] [ -1.6709988 0.2305273 -2.2562853 ] [ -0.3509258 0.9905505 -0.5428808 ] [ -1.3660989 -0.5572393 1.7928091 ] [ -1.0439607 1.1088388 0.4448085 ] [ 1.5668928 0.6616121 1.5977296 ] [ 0.2034815 0.327839 -0.983192 ] [ 4.0345216 -0.4200588 -1.3711756 ] [ 0.148113 -1.069839 -0.6949716 ] [ 0.1459584 -0.0777664 0.6815449 ] [ 0.1570481 -0.1938573 0.0069376 ] [ -0.5194016 -0.0448561 0.0095643 ] [ -0.1236448 -0.5476974 -0.3216369 ] [ 0.098588 1.7599492 -1.1857408 ] [ 0.4044042 0.0035441 1.4223876 ] [ 0.2586454 -0.4246806 -0.4469363 ] [ -0.1445696 0.1381117 0.430444 ] [ 0.8105559 0.380611 -0.3704778 ] [ 0.2569796 0.254334 0.8685825 ] [ 0.4046072 -0.0771216 -0.2346424 ] [ -0.5271678 0.1013421 -0.4263458 ] [ 1.2423456 -0.1885388 -0.3264854 ] [ 0.0350951 -0.6793458 0.1160134 ] [ -0.162387 0.1668356 0.6672624 ] [ -0.5757421 -0.3015675 -0.1700595 ] [ -0.294774 0.1549709 0.2739824 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.020954527419398e-09 -1.572290098768583e-09 5.527631107183181e-10 ] [ 6.748021856659508e-10 2.273473884890289e-09 7.363384250999751e-10 ] [ 4.331697583823366e-10 1.4724831470464954e-09 -1.1993290162722758e-09 ] [ -1.7500142641310785e-10 1.2919218473238875e-09 8.060411189878791e-10 ] [ 1.7249161673662465e-10 -7.093550471054477e-10 -2.2327116277392192e-10 ] [ 3.1836691414254723e-10 -6.126779474120928e-10 5.71480378873152e-10 ] [ 2.7048218082371134e-10 1.5845102202907487e-09 2.219589801214867e-10 ] [ -1.3945837175665786e-09 -1.5075214680020947e-09 2.0027698026045966e-09 ] [ -6.657513297173894e-10 -1.559829330317973e-09 -3.083773429118592e-10 ] [ 4.4407865855803964e-10 1.0596156901499502e-09 -3.281081479970112e-11 ] [ 3.7086304823313584e-09 -1.278887018990045e-09 -8.468982249948999e-10 ] [ 8.369903647718728e-10 7.702231788885984e-10 1.7757596402507135e-10 ] [ 1.03148130847104e-12 6.658227867946771e-10 4.708104948231014e-10 ] [ 2.0426998892188225e-10 -1.1691973612178765e-09 -1.184444635247382e-09 ] [ 1.9722121287867265e-10 1.2585145421682623e-09 -3.0289357299184704e-10 ] [ 9.715291410620008e-10 -1.524997690146457e-09 7.487224492904486e-10 ] [ -8.966500868823174e-09 5.500967683859827e-10 8.742244687862785e-10 ] [ -1.0800706790677037e-09 -3.3292587707399063e-09 4.83448784443296e-11 ] [ 1.897527466696445e-09 -1.4801835283213843e-09 4.924116808953753e-10 ] [ -1.1655567352824328e-09 -5.729591878941505e-11 -7.616858205470036e-10 ] [ -9.64091676970585e-10 9.422985501391391e-10 -3.5338520789038656e-10 ] [ 1.0042616094249446e-09 7.06597861358713e-10 2.082546822866429e-09 ] [ 1.0311913145026752e-10 7.171518794129088e-10 -4.36136508831072e-11 ] [ 2.140071852912618e-09 -9.218579808109729e-10 1.0079148925556927e-10 ] [ -7.970492231389632e-11 -8.488275660816672e-10 -1.7468595783647234e-10 ] [ -1.9781779936519373e-09 4.5875267379262274e-10 -8.382993430710663e-10 ] [ 1.5723327166666964e-09 1.923301201342268e-09 -2.1028680300363456e-10 ] [ -2.9767223960232193e-10 7.092786232806355e-10 4.533070356761856e-11 ] [ -2.7753271926120383e-10 1.672569852811469e-10 -3.5076037795429613e-09 ] [ -4.216693345982343e-10 1.3377641258865273e-09 1.8158033211873543e-09 ] [ 4.3655067148754877e-10 2.518576786952218e-10 7.898232463614931e-10 ] [ -9.180340658701095e-10 1.5012553552381458e-09 3.174938881018733e-10 ] [ -2.1298214473280638e-11 -7.16669624250048e-11 1.5148868341455744e-10 ] [ 2.6661180276084483e-10 -1.392895984714228e-09 2.747047173078298e-10 ] [ -1.575618460480633e-09 2.798967308651942e-10 2.9448214573264704e-10 ] [ 6.041437934237395e-10 1.3741505182508678e-09 3.665507738364864e-10 ] [ -1.0407398065096569e-09 -2.5310732839414715e-09 -1.1640276179155412e-09 ] [ -5.396124450147916e-10 -1.3488412546074145e-09 -2.0219965629248447e-09 ] [ -5.0362803876461e-10 -2.097656309706545e-09 8.633919924353875e-10 ] [ -2.677235210744855e-09 3.6934545051614785e-10 -3.6149675575147146e-09 ] [ -5.622451123955367e-10 1.5870368528217504e-09 -8.697909256412008e-10 ] [ -2.188731719280597e-09 -8.927957786509574e-10 2.8723968255774895e-09 ] [ -1.6726094265740026e-09 1.776555601595927e-09 7.126617794331169e-10 ] [ 2.5104390114598503e-09 1.0600194386583918e-09 2.559845011480136e-09 ] [ 3.260133020653152e-10 5.252559811864512e-10 -1.5752472361575937e-09 ] [ 6.464016183632609e-09 -6.730083887213031e-10 -2.1968654893314123e-09 ] [ 2.373031858365504e-10 -1.7140710338200513e-09 -1.1134672496399693e-09 ] [ 2.338511360893747e-10 -1.2459550796378113e-10 1.0919553048054739e-09 ] [ 2.5161879416106046e-10 -3.105936338314119e-10 1.1115260524462082e-11 ] [ -8.321731003261134e-10 -7.186739472026689e-11 1.532369785431744e-11 ] [ -1.9810080784349184e-10 -8.77507969552946e-10 -5.153191215665876e-10 ] [ 1.579553886914304e-10 2.8197494620356638e-09 -1.899766188088689e-09 ] [ 6.479269545933273e-10 5.67827416177728e-12 2.2789161584358222e-09 ] [ 4.1439561295746436e-10 -6.804133286273165e-10 -7.160708908468551e-10 ] [ -2.3162603319840768e-10 2.2127933679894337e-10 6.896473133636353e-10 ] [ 1.2986537128315028e-09 6.098060458193088e-10 -5.935708696854184e-10 ] [ 4.1172670714253565e-10 4.0748798867454724e-10 1.391622574736016e-09 ] [ 6.482521964473498e-10 -1.2356242447868928e-10 -3.7593856752840194e-10 ] [ -8.446159243985702e-10 1.6236794332277568e-10 -6.830812731362726e-10 ] [ 1.9904570752737485e-09 -3.020724574736871e-10 -5.230872749125363e-10 ] [ 5.622854872463808e-11 -1.0884319581986727e-09 1.8587395717951872e-10 ] [ -2.601726549218496e-10 2.673000978371405e-10 1.069072217218898e-09 ] [ -9.224405322302958e-10 -4.83164398093104e-10 -2.724653550449376e-10 ] [ -4.722800112196992e-10 2.482907528843347e-10 4.3896819579067394e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -242.53902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.885903474757436e-17 } }