{ "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" [ 10.6918135 0 0 ] "si-unit" "m" "si-value" [ 1.06918135e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6918135 0 ] "si-unit" "m" "si-value" [ 0.0 1.06918135e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6918135 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06918135e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.16800036147 2.1070625 1.8076035 ] [ 2.73995327948 0.383781 1.6819345 ] [ 2.9827971826 3.4748875 2.4087685 ] [ 4.5129331312 3.0762035 0.6528642 ] [ 0.663015851293 0.1889434 4.6107535 ] [ 4.3755303149 0.8042952000000001 3.3728025 ] [ 3.44984878095 4.4798205 4.4571185 ] [ 1.46436017067 0.4223032 6.8435285 ] [ 5.29837187931 1.0662005 5.5332725 ] [ 1.63338069532 2.8475735 6.4635595 ] [ 1.53395240116 5.0773655 5.5728155 ] [ 3.50130831276 3.5996135 7.7578475 ] [ 4.93586909094 3.3526415 5.8481685 ] [ 1.15753848424 2.5132555 10.1291335 ] [ 2.18622398529 0.2960209 10.0500635 ] [ 3.80530048971 1.4175585 8.740277500000001 ] [ 0.036569893703 3.3497745 8.103115500000001 ] [ 2.86444461635 4.2240855 10.0260635 ] [ 1.20592138488 7.519157499999999 0.4495201 ] [ 2.09098058323 5.4350825 1.3546225 ] [ 3.94970498636 6.5132805 2.3249515 ] [ 4.3388629933 8.413377500000001 1.0604515 ] [ 0.6425005990220001 5.4467425 3.2998535 ] [ 3.40476149937 8.037043500000001 4.0586475 ] [ 1.71859661529 9.475148500000001 3.0566815 ] [ 5.1629115254 9.3393095 3.1300675 ] [ 1.71066002713 7.8789175 7.915814500000001 ] [ 4.580622465 7.0578205 5.8929585 ] [ 2.95826505038 5.9474755 7.2429025 ] [ 0.5341807132430001 8.985822500000001 6.0908595 ] [ 3.81771582421 10.6261235 6.9125755 ] [ 0.08766329089600002 6.7554575 9.2413725 ] [ 2.83297366295 8.690615500000002 9.879651500000001 ] [ 5.97325576415 1.4934605 1.7648885 ] [ 7.67631180718 2.9570985 1.0387225 ] [ 6.17647646957 4.7508595 0.8890508 ] [ 9.608842061430002 5.2731795 -0.004293889999999995 ] [ 9.053526705280001 0.565288 4.1954595 ] [ 9.039303445120002 2.7023585 5.1509225 ] [ 6.16514864381 4.6952435 3.2077605 ] [ 8.36193373431 3.8617695 3.1143055 ] [ 10.6663821584 3.2371885 3.5114545 ] [ 7.30419566039 2.3243995 7.7963345 ] [ 10.1385075679 1.0079125 7.8899595 ] [ 7.24667047232 4.0641875 6.1054035 ] [ 6.05070580736 0.9913915000000001 9.267350500000001 ] [ 9.82939581597 1.1949985 10.2107335 ] [ 6.77436313894 4.5082925 8.4654155 ] [ 8.687297525890001 3.3067315 9.5336025 ] [ 6.52932227469 7.994760499999999 0.5750025000000001 ] [ 9.23132443747 5.9017545 2.2816045 ] [ 6.77896513224 10.3541735 0.425886 ] [ 10.4864331782 8.7925485 1.8873705 ] [ 9.078366021050002 9.7723735 0.2206551 ] [ 6.36934981912 6.6801755 4.3742585 ] [ 9.259839020900001 7.8079165 3.7307415 ] [ 7.58045749071 9.499190500000001 3.6778385 ] [ 6.84031139477 7.1596575 6.6835965 ] [ 8.419495164750002 6.1148125 5.3583265 ] [ 5.87826567141 9.9598735 7.7446875 ] [ 7.33570836414 9.353637500000001 6.0413285 ] [ 9.31179593709 9.539784500000001 7.3083485 ] [ 7.54354720921 6.2443135 10.0159935 ] [ 8.91983368356 8.154578500000001 9.1960885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1680003614700002e-10 2.1070625e-10 1.8076034999999999e-10 ] [ 2.73995327948e-10 3.83781e-11 1.6819345000000003e-10 ] [ 2.9827971826e-10 3.4748875e-10 2.4087685e-10 ] [ 4.5129331311999996e-10 3.0762035000000003e-10 6.528642e-11 ] [ 6.63015851293e-11 1.8894340000000003e-11 4.6107535000000004e-10 ] [ 4.3755303149e-10 8.042952000000001e-11 3.3728025e-10 ] [ 3.44984878095e-10 4.4798204999999997e-10 4.4571185e-10 ] [ 1.46436017067e-10 4.223032e-11 6.8435285e-10 ] [ 5.29837187931e-10 1.0662005000000002e-10 5.5332725e-10 ] [ 1.6333806953200001e-10 2.8475735000000004e-10 6.4635595e-10 ] [ 1.53395240116e-10 5.0773655e-10 5.5728155e-10 ] [ 3.50130831276e-10 3.5996135e-10 7.757847499999999e-10 ] [ 4.93586909094e-10 3.3526415e-10 5.8481685e-10 ] [ 1.1575384842400001e-10 2.5132555000000003e-10 1.01291335e-09 ] [ 2.1862239852899998e-10 2.960209e-11 1.0050063500000001e-09 ] [ 3.8053004897100003e-10 1.4175585e-10 8.740277500000001e-10 ] [ 3.6569893703e-12 3.3497745000000003e-10 8.103115500000001e-10 ] [ 2.8644446163500004e-10 4.2240855000000005e-10 1.00260635e-09 ] [ 1.2059213848799998e-10 7.519157499999999e-10 4.495201e-11 ] [ 2.09098058323e-10 5.4350825e-10 1.3546225e-10 ] [ 3.94970498636e-10 6.5132805e-10 2.3249515e-10 ] [ 4.3388629933000004e-10 8.413377500000001e-10 1.0604515000000002e-10 ] [ 6.425005990220001e-11 5.446742500000001e-10 3.2998535000000003e-10 ] [ 3.40476149937e-10 8.037043500000002e-10 4.0586475000000005e-10 ] [ 1.71859661529e-10 9.4751485e-10 3.0566814999999997e-10 ] [ 5.162911525400001e-10 9.3393095e-10 3.1300675000000004e-10 ] [ 1.7106600271300003e-10 7.8789175e-10 7.915814500000001e-10 ] [ 4.5806224650000006e-10 7.0578205e-10 5.8929585e-10 ] [ 2.95826505038e-10 5.947475500000001e-10 7.2429025e-10 ] [ 5.341807132430001e-11 8.985822500000001e-10 6.0908595e-10 ] [ 3.81771582421e-10 1.06261235e-09 6.9125755e-10 ] [ 8.766329089600002e-12 6.755457500000001e-10 9.241372500000001e-10 ] [ 2.8329736629500004e-10 8.690615500000002e-10 9.879651500000002e-10 ] [ 5.973255764150001e-10 1.4934605000000001e-10 1.7648885000000002e-10 ] [ 7.676311807180001e-10 2.9570985e-10 1.0387225e-10 ] [ 6.17647646957e-10 4.7508595e-10 8.890508000000001e-11 ] [ 9.608842061430001e-10 5.273179500000001e-10 -4.2938899999999947e-13 ] [ 9.053526705280001e-10 5.65288e-11 4.1954595e-10 ] [ 9.039303445120002e-10 2.7023585e-10 5.1509225e-10 ] [ 6.16514864381e-10 4.6952435e-10 3.2077605000000004e-10 ] [ 8.36193373431e-10 3.8617695e-10 3.1143055e-10 ] [ 1.06663821584e-09 3.2371885e-10 3.5114545e-10 ] [ 7.30419566039e-10 2.3243995000000004e-10 7.796334500000001e-10 ] [ 1.01385075679e-09 1.0079125e-10 7.8899595e-10 ] [ 7.246670472320001e-10 4.0641875000000004e-10 6.105403500000001e-10 ] [ 6.05070580736e-10 9.913915000000001e-11 9.267350500000001e-10 ] [ 9.82939581597e-10 1.1949985e-10 1.0210733500000001e-09 ] [ 6.774363138940001e-10 4.5082924999999995e-10 8.465415500000001e-10 ] [ 8.687297525890001e-10 3.3067315000000003e-10 9.533602500000002e-10 ] [ 6.52932227469e-10 7.994760499999999e-10 5.750025000000001e-11 ] [ 9.231324437470001e-10 5.9017545e-10 2.2816044999999998e-10 ] [ 6.77896513224e-10 1.0354173500000001e-09 4.25886e-11 ] [ 1.0486433178200001e-09 8.7925485e-10 1.8873705e-10 ] [ 9.078366021050002e-10 9.7723735e-10 2.206551e-11 ] [ 6.36934981912e-10 6.6801755e-10 4.3742585e-10 ] [ 9.259839020900002e-10 7.807916500000001e-10 3.7307415e-10 ] [ 7.58045749071e-10 9.4991905e-10 3.6778385000000003e-10 ] [ 6.840311394769999e-10 7.1596575e-10 6.6835965e-10 ] [ 8.419495164750002e-10 6.1148125e-10 5.3583265e-10 ] [ 5.878265671410001e-10 9.959873500000002e-10 7.7446875e-10 ] [ 7.335708364140001e-10 9.353637500000001e-10 6.041328499999999e-10 ] [ 9.31179593709e-10 9.539784500000002e-10 7.3083485e-10 ] [ 7.54354720921e-10 6.2443135e-10 1.0015993500000001e-09 ] [ 8.91983368356e-10 8.154578500000001e-10 9.1960885e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1431414 -0.0283974 0.1834471 ] [ -0.3183635 -0.4005642 0.7320712 ] [ -0.110276 -0.1143785 -0.566666 ] [ 0.4673188 0.2078557 -0.082966 ] [ -0.1348062 -0.6579768 -0.6897436 ] [ 0.7238776 0.0051478 -0.4478497 ] [ 0.0228048 -0.5094849 0.2525914 ] [ 0.8813544 0.3719063 -0.4941482 ] [ -0.7038759 1.1414533 -1.6595606 ] [ -0.2674688 0.1288307 0.0558861 ] [ -0.562198 -0.013875 -0.3152397 ] [ 0.3467432 0.1352496 0.0077155 ] [ 0.5933246 -0.1668417 0.2534021 ] [ 0.0091924 0.4495519 0.1235014 ] [ 0.5365474 0.0460585 -0.0281979 ] [ 0.0161314 -0.2757081 0.2290381 ] [ -0.5838008 -0.2340335 0.6017248 ] [ -0.2077705 -0.6623163 0.4230481 ] [ 0.1415811 -0.8647458 0.0321329 ] [ 0.1107408 1.2612026 0.2977559 ] [ -0.3107191 0.2724109 -0.5031203 ] [ 0.1861209 -0.3387663 -0.1294551 ] [ 0.1527112 0.1941922 -0.0386524 ] [ 0.022893 -0.2626385 -0.1993952 ] [ -0.1137741 0.629314 -0.123258 ] [ 0.2722732 0.1983814 0.0549986 ] [ 0.3652981 -1.0528993 -0.0706553 ] [ -1.1042034 -0.2255356 0.5293082 ] [ 0.1660954 0.9260794 -0.3957058 ] [ 0.072594 -0.6564149 0.6679063 ] [ -0.6686545 -0.2542991 0.0416181 ] [ -0.2009831 0.3074715 0.2130461 ] [ -0.2275835 0.7623291 0.2913093 ] [ 0.0955002 -0.4837493 -0.3667144 ] [ 0.2730629 -0.2804388 0.3911439 ] [ -0.2432139 0.6896429 -0.8144201 ] [ 4.45e-05 0.1222054 -0.0233995 ] [ 0.4301943 0.5219064 0.0613641 ] [ -0.7395389 -0.2760633 0.5356313 ] [ 0.5921544 -0.148602 0.4908216 ] [ -0.0519541 0.2913044 -0.3176332 ] [ 0.6276744 0.0467778 -0.0956056 ] [ 0.8284566 -1.1283677 0.4408583 ] [ -1.0665017 0.0393119 0.0192431 ] [ -0.2389441 0.6010007 -0.601862 ] [ 0.2236038 -0.3114111 -0.0664019 ] [ 0.1197526 0.3458225 -0.1063804 ] [ -0.3372856 1.2027849 0.1949713 ] [ 0.2594521 -0.1698753 0.4828878 ] [ 0.1729045 0.5348668 0.0040816 ] [ 0.4171278 -0.2270314 0.0396215 ] [ 0.1805379 0.2111991 0.2766786 ] [ 0.2480707 -0.5455984 -0.0124706 ] [ -0.2659619 0.1109732 0.2272556 ] [ -0.4369725 0.2461334 -1.8194306 ] [ -0.3785243 -0.3885212 -0.3376154 ] [ -0.4602171 -0.7025474 0.3694371 ] [ -0.3498569 0.7463869 1.1252103 ] [ 1.306692 -0.5006278 -0.1343645 ] [ -0.3383943 -1.1647648 0.9105538 ] [ 0.7496276 0.3562079 0.7554039 ] [ -0.546874 -0.2054728 -0.4053118 ] [ -0.6561363 -0.1948707 -0.217033 ] [ 0.1555353 0.3428589 -0.2524079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.2933780454858112e-10 -4.549765037150592e-11 2.939146547735597e-10 ] [ -5.100745566160609e-10 -6.417745963694553e-10 1.172907361401001e-09 ] [ -1.766816290353408e-10 -1.8325455862217278e-10 -9.078990170022528e-10 ] [ 7.48727255820311e-10 3.3302154304001855e-10 -1.329261855212928e-10 ] [ -2.1598334197888895e-10 -1.0541950459887975e-09 -1.105091070266427e-09 ] [ 1.1597797670408142e-09 8.24768480855424e-12 -7.175343189722939e-10 ] [ 3.653731740201984e-11 -8.162847954306259e-10 4.0469603569514116e-10 ] [ 1.4120854143192115e-09 5.958595789882311e-10 -7.917126932504025e-10 ] [ -1.1277335109245587e-09 1.8288097909950086e-09 -2.658909194120821e-09 ] [ -4.2853225815343106e-10 2.0640953558129855e-10 8.953940284769089e-11 ] [ -9.007404918605184e-10 -2.2230200613600003e-11 -5.050696772880058e-10 ] [ 5.555438484613785e-10 2.166937470925517e-10 1.2361593717782401e-11 ] [ 9.506108026655117e-10 -2.673098711145274e-10 4.0599492028162373e-10 ] [ 1.472784836904192e-11 7.202615440162195e-10 1.9787105571606912e-10 ] [ 8.596437002310259e-10 7.379385188911681e-11 -4.5178016135656326e-11 ] [ 2.584535194077312e-11 -4.417330719851885e-10 3.669594890924525e-10 ] [ -9.353519929643366e-10 -3.7496300218399684e-10 9.640694067155557e-10 ] [ -3.328850375919264e-10 -1.061147691434759e-09 6.777977752938605e-10 ] [ 2.2683792836714686e-10 -1.3854755036949927e-09 5.148258113850432e-11 ] [ 1.7742632072868865e-10 2.0206693198121743e-09 4.770575416852627e-10 ] [ -4.978268776560174e-10 4.3645037523108675e-10 -8.060875821098822e-10 ] [ 2.9819855462225473e-10 -5.427634457749191e-10 -2.0740993466332607e-10 ] [ 2.4467031437431293e-10 3.1113020278171777e-10 -6.192797161780993e-11 ] [ 3.6678629379974403e-11 -4.207932644219808e-10 -3.1946632773974017e-10 ] [ -1.822862030725613e-10 1.0082721779421312e-09 -1.9748108592656641e-10 ] [ 4.3622975551040254e-10 3.1784204108157313e-10 8.811747109673088e-11 ] [ 5.852720754426606e-10 -1.6869306425166855e-09 -1.1320226979561025e-10 ] [ -1.7691288720878709e-09 -3.613478654781005e-10 8.480452232377306e-10 ] [ 2.661141667024243e-10 1.4837427636844916e-09 -6.339905814749606e-10 ] [ 1.1630840961035521e-10 -1.05169260632477e-09 1.070103858745031e-09 ] [ -1.0713026072927136e-09 -4.074320727104813e-10 6.667954682211648e-11 ] [ -3.220104239959085e-10 4.926236488623072e-10 3.4133748057261886e-10 ] [ -3.646289629798368e-10 1.2213858613755052e-09 4.667289498816135e-10 ] [ 1.5300818772172415e-10 -7.750518187883655e-10 -5.875412381906995e-10 ] [ 4.374949943878483e-10 -4.4931248892520706e-10 6.266816119485331e-10 ] [ -3.8967162443358917e-10 1.1049297310807124e-09 -1.304844843729598e-09 ] [ 7.12968596256e-14 1.9579463481551233e-10 -3.7490131838409605e-11 ] [ 6.892472498614214e-10 8.361862323258932e-10 9.831612637643328e-11 ] [ -1.1848719357521492e-09 -4.423021651208967e-10 8.581759462287111e-10 ] [ 9.487359355838515e-10 -2.380866502041216e-10 7.863828925036494e-10 ] [ -8.323964437470529e-11 4.667210992161716e-10 -5.089044870298906e-10 ] [ 1.0056452491546676e-09 7.494629753245824e-11 -1.5317705713755647e-10 ] [ 1.3273337958674573e-09 -1.8078443486058683e-09 7.063328613456326e-10 ] [ -1.7087240897834556e-09 6.298460709922752e-11 3.083084493171648e-11 ] [ -3.828306506980973e-10 9.629092706244347e-10 -9.642892253479297e-10 ] [ 3.5825278068203906e-10 -4.989355838776108e-10 -1.0638757175669952e-10 ] [ 1.918648160000141e-10 5.540687244466079e-10 -1.7044018979135233e-10 ] [ -5.403911028525006e-10 1.927073846631266e-09 3.12378458586983e-10 ] [ 4.1568808883746373e-10 -2.7217023411138625e-10 7.736715436295462e-10 ] [ 2.770235475311136e-10 8.569510822021094e-10 6.5394440954572806e-12 ] [ 6.683124090457382e-10 -3.6374440126749313e-10 6.34806409810272e-11 ] [ 2.892536025483283e-10 3.383782603540013e-10 4.4328798439567487e-10 ] [ 3.9745307584549057e-10 -8.741450008258868e-10 -1.998010376734848e-11 ] [ -4.261179382035475e-10 1.7779866657536255e-10 3.641036092658765e-10 ] [ -7.00107123432528e-10 3.943491790780147e-10 -2.915049170488117e-09 ] [ -6.064627838646854e-10 -6.22479583325161e-10 -5.409195007020404e-10 ] [ -7.373490781123757e-10 -1.125605019283826e-09 5.919034844761517e-10 ] [ -5.605325458055636e-10 1.1958436412513875e-09 1.8027856361433543e-09 ] [ 2.0935513729863935e-09 -8.020941568825382e-10 -2.152756605654816e-10 ] [ -5.421674360719815e-10 -1.8661589312907877e-09 1.458868010340599e-09 ] [ 1.201035815026414e-09 5.707079695242644e-10 1.210290467841141e-09 ] [ -8.761887373233792e-10 -3.292037163703143e-10 -6.493810900943655e-10 ] [ -1.051246239918215e-09 -3.1221727961893057e-10 -3.4772519854208643e-10 ] [ 2.491950213691142e-10 5.493205138132051e-10 -4.0440203628522437e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -246.82436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.954562190359227e-17 } }