{ "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" [ 10.6716128 0 0 ] "si-unit" "m" "si-value" [ 1.06716128e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6716128 0 ] "si-unit" "m" "si-value" [ 0.0 1.06716128e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6716128 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06716128e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.90261487043 1.4324298 2.5623898 ] [ 3.33160014328 1.4526608 0.2459946 ] [ 0.9227895171 0.1672677 2.7927458 ] [ 4.12746634496 0.5997421 4.3930038 ] [ 1.57803194571 3.3362018 2.8078038 ] [ 0.95788789759 2.6390228 4.9727238 ] [ 3.88019296469 3.8277848 5.2114098 ] [ 1.76932139732 1.0089658 6.466514800000001 ] [ 0.550224988753 3.9212088 6.9762718 ] [ 3.92502600632 4.375471800000001 7.4884458 ] [ 1.06431172622 1.3115838 8.6694868 ] [ 5.11081237713 3.0665958 10.5996028 ] [ 0.355300604973 4.5727678 10.0964928 ] [ 2.04143514187 3.4842228 8.7973458 ] [ 2.03290223344 7.3572658 0.8560846 ] [ 3.9368026334 6.0884598 1.4593378 ] [ 5.04520290414 8.125588800000001 2.1303318 ] [ 0.741994065171 7.6599378 2.9755258 ] [ 0.96489277501 6.0050378 4.6005528 ] [ 4.86594061117 5.9396788 4.8101298 ] [ 2.93592278167 5.2080658 3.4950678 ] [ 1.69810414417 9.2695768 4.375598800000001 ] [ 1.95808984983 7.5897388 6.032140800000001 ] [ 3.98393125609 6.6864128 6.903709800000001 ] [ 0.079857849866 10.1401728 5.8578848 ] [ 3.66738080061 10.4141528 7.0678188 ] [ 2.67738487158 6.8514368 9.0461918 ] [ 4.83764692372 6.4785918 9.9709328 ] [ 1.94814244245 10.2472628 10.0392328 ] [ 2.08524591791 8.9475868 8.046307800000001 ] [ 4.72495849644 8.7208278 10.5295428 ] [ 6.87057946449 1.4774968 2.5959858 ] [ 5.64095728127 0.9284258000000001 0.6398199 ] [ 8.763529687090001 1.4017368 1.0931938 ] [ 6.487638817780001 3.6935498 1.7748038 ] [ 8.66170832423 4.261584800000001 2.5120438 ] [ 10.3697291497 3.1864998 1.2876948 ] [ 5.60233422901 2.4054888 4.4531698 ] [ 10.0361766884 1.0705258 4.3397638 ] [ 8.80874034798 4.3562678 4.9204988 ] [ 6.50686137197 1.3987328 6.3517218 ] [ 8.62891768781 2.2121698 5.8660408 ] [ 9.69328659449 2.3193898 7.950290799999999 ] [ 6.7632556318 5.0115868 5.8680478 ] [ 7.52250561578 0.8440487 9.7766048 ] [ 6.15770044638 2.3751148 8.5330748 ] [ 6.19793132989 4.690360800000001 8.1134018 ] [ 9.3888485794 4.5911318 8.4102588 ] [ 7.16942796801 6.5432408 -0.11370072 ] [ 8.91022630321 6.349311800000001 1.4953608 ] [ 6.889379383580001 8.6729278 0.7325355 ] [ 9.70271604686 10.0193128 1.6664068 ] [ 5.84332478768 10.0662328 3.4084928 ] [ 9.10751824289 8.1656218 2.9763978 ] [ 7.87930800857 7.0029168 6.4525198 ] [ 9.9592528255 5.8699448 6.3782338 ] [ 6.785149397500001 9.8638788 5.5375728 ] [ 5.29976824892 8.7556178 7.019464800000001 ] [ 8.86922510896 8.7801728 5.2510788 ] [ 8.20832504261 7.603644800000001 8.7049608 ] [ 10.6068495307 6.8520548 10.6367428 ] [ 6.55191194891 9.3187888 9.0622448 ] [ 10.4498502089 9.2438018 10.2820028 ] [ 8.91373824511 9.8782648 8.5775328 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.90261487043e-10 1.4324298e-10 2.5623898e-10 ] [ 3.3316001432800005e-10 1.4526608000000002e-10 2.4599460000000003e-11 ] [ 9.227895171000001e-11 1.672677e-11 2.7927458e-10 ] [ 4.1274663449600004e-10 5.997421e-11 4.3930038e-10 ] [ 1.5780319457100002e-10 3.3362018e-10 2.8078037999999997e-10 ] [ 9.578878975900001e-11 2.6390228e-10 4.9727238e-10 ] [ 3.88019296469e-10 3.8277848e-10 5.2114098e-10 ] [ 1.76932139732e-10 1.0089658e-10 6.466514800000001e-10 ] [ 5.50224988753e-11 3.9212088000000003e-10 6.9762718e-10 ] [ 3.92502600632e-10 4.3754718000000006e-10 7.4884458e-10 ] [ 1.0643117262199999e-10 1.3115838e-10 8.6694868e-10 ] [ 5.110812377130001e-10 3.0665958e-10 1.05996028e-09 ] [ 3.55300604973e-11 4.5727678e-10 1.00964928e-09 ] [ 2.0414351418700003e-10 3.4842228e-10 8.797345800000001e-10 ] [ 2.0329022334400002e-10 7.357265800000001e-10 8.560846e-11 ] [ 3.9368026334e-10 6.0884598e-10 1.4593378e-10 ] [ 5.04520290414e-10 8.125588800000001e-10 2.1303318000000001e-10 ] [ 7.41994065171e-11 7.6599378e-10 2.9755258000000004e-10 ] [ 9.6489277501e-11 6.0050378e-10 4.6005528000000003e-10 ] [ 4.865940611170001e-10 5.9396788e-10 4.8101298e-10 ] [ 2.93592278167e-10 5.2080658e-10 3.4950678000000004e-10 ] [ 1.69810414417e-10 9.2695768e-10 4.3755988000000007e-10 ] [ 1.9580898498299999e-10 7.5897388e-10 6.032140800000002e-10 ] [ 3.98393125609e-10 6.686412800000001e-10 6.903709800000001e-10 ] [ 7.9857849866e-12 1.01401728e-09 5.857884800000001e-10 ] [ 3.66738080061e-10 1.04141528e-09 7.067818800000001e-10 ] [ 2.6773848715800004e-10 6.8514368e-10 9.046191800000001e-10 ] [ 4.837646923720001e-10 6.4785918e-10 9.9709328e-10 ] [ 1.94814244245e-10 1.02472628e-09 1.0039232800000001e-09 ] [ 2.08524591791e-10 8.9475868e-10 8.046307800000001e-10 ] [ 4.724958496440001e-10 8.7208278e-10 1.05295428e-09 ] [ 6.870579464489999e-10 1.4774968e-10 2.5959858e-10 ] [ 5.640957281270001e-10 9.284258000000002e-11 6.398199000000001e-11 ] [ 8.763529687090002e-10 1.4017368e-10 1.0931938000000002e-10 ] [ 6.487638817780001e-10 3.6935498000000003e-10 1.7748038e-10 ] [ 8.661708324230001e-10 4.2615848000000016e-10 2.5120438e-10 ] [ 1.03697291497e-09 3.1864998e-10 1.2876948e-10 ] [ 5.60233422901e-10 2.4054888000000004e-10 4.4531698000000006e-10 ] [ 1.00361766884e-09 1.0705258e-10 4.3397638000000004e-10 ] [ 8.808740347980001e-10 4.3562678000000005e-10 4.9204988e-10 ] [ 6.506861371970001e-10 1.3987328e-10 6.3517218e-10 ] [ 8.628917687810001e-10 2.2121698e-10 5.866040800000001e-10 ] [ 9.693286594490001e-10 2.3193898000000003e-10 7.950290799999999e-10 ] [ 6.7632556318e-10 5.0115868e-10 5.868047800000001e-10 ] [ 7.52250561578e-10 8.440487000000001e-11 9.7766048e-10 ] [ 6.15770044638e-10 2.3751148e-10 8.5330748e-10 ] [ 6.197931329890001e-10 4.690360800000002e-10 8.113401800000001e-10 ] [ 9.3888485794e-10 4.5911318000000003e-10 8.4102588e-10 ] [ 7.16942796801e-10 6.5432408e-10 -1.1370072000000001e-11 ] [ 8.910226303210001e-10 6.349311800000001e-10 1.4953608000000002e-10 ] [ 6.889379383580001e-10 8.672927800000001e-10 7.325355e-11 ] [ 9.702716046860002e-10 1.00193128e-09 1.6664068e-10 ] [ 5.843324787680001e-10 1.0066232800000001e-09 3.4084928e-10 ] [ 9.107518242890001e-10 8.1656218e-10 2.9763978e-10 ] [ 7.87930800857e-10 7.002916800000001e-10 6.452519800000001e-10 ] [ 9.9592528255e-10 5.8699448e-10 6.3782338e-10 ] [ 6.785149397500001e-10 9.8638788e-10 5.5375728e-10 ] [ 5.299768248920001e-10 8.7556178e-10 7.019464800000001e-10 ] [ 8.869225108960001e-10 8.780172800000001e-10 5.2510788e-10 ] [ 8.20832504261e-10 7.603644800000002e-10 8.704960800000001e-10 ] [ 1.06068495307e-09 6.852054800000001e-10 1.0636742800000002e-09 ] [ 6.55191194891e-10 9.3187888e-10 9.062244800000001e-10 ] [ 1.0449850208899999e-09 9.2438018e-10 1.02820028e-09 ] [ 8.913738245110001e-10 9.878264800000001e-10 8.577532800000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0776972 0.0255135 -0.6716917 ] [ -0.3336912 -0.005579 0.8113486 ] [ -0.1548418 -0.4970296 0.0935537 ] [ -1.0199911 -0.2634066 0.1243207 ] [ 0.2971264 -0.5327554 0.668193 ] [ 0.2424055 0.7672274 0.308469 ] [ 0.153777 -0.4979082 -0.485408 ] [ 0.1282723 -0.1945144 0.2890234 ] [ 0.7579134 0.5532503 -0.7148077 ] [ -0.6409092 -0.1389971 0.4752174 ] [ 0.4217525 0.1400843 -0.4209713 ] [ 0.0497417 0.558643 -0.6521327 ] [ -0.4660041 0.1590173 0.3147969 ] [ 0.3541094 0.3232683 0.2218252 ] [ -0.0172736 -0.0109051 0.9816376 ] [ -0.4175901 0.0531573 0.7712874 ] [ 0.4621738 0.3199018 0.3841045 ] [ 0.3210852 -0.3440386 0.3874799 ] [ 0.0453096 0.5388382 -0.2961769 ] [ 0.2725109 0.4468318 -0.1521622 ] [ -0.7508407 -0.5924417 -0.3613614 ] [ 0.6999129 0.1604906 -0.0508147 ] [ -0.0120523 -0.3986904 -0.0546611 ] [ 0.0735894 0.9667439 -0.6453221 ] [ -0.216959 -0.5082149 0.2673013 ] [ 0.249869 0.2561147 -0.9101461 ] [ -0.0402286 -0.0381235 0.009808 ] [ -0.0460203 -1.657926 -0.5289733 ] [ -0.1526688 -0.3922355 -0.5325985 ] [ 0.391433 -0.2329574 0.3237121 ] [ -0.8014582 1.0816683 -0.6096892 ] [ -0.3195237 0.1149158 -1.0810332 ] [ 0.062394 -1.1106211 0.1340947 ] [ 0.3206379 -0.6227366 0.4421257 ] [ -0.6740492 -0.2986165 1.0065119 ] [ 0.3917338 0.8574947 -0.3092622 ] [ -0.0396496 0.8771892 0.0429291 ] [ -0.373797 0.4935614 0.6676436 ] [ -0.128952 0.2968576 0.2777624 ] [ -0.6046227 -0.477069 -0.3818872 ] [ 0.7646764 0.1469963 -0.509543 ] [ 0.0287553 -0.2899186 0.2780684 ] [ -1.0647285 -0.4778298 0.2818715 ] [ 0.2341784 0.8805152 -0.3138538 ] [ 0.0755157 0.6250432 -0.7077876 ] [ 0.5270021 0.2122303 -0.1030774 ] [ 0.1114295 -0.2658664 1.1174801 ] [ 0.0630324 -0.0253526 0.3949354 ] [ 0.8787285 -0.0930518 -0.6596855 ] [ -0.7203362 -0.4873313 0.2292593 ] [ 0.187858 -0.1819728 0.8189928 ] [ 0.285593 0.6406692 -0.7558993 ] [ -0.2285478 -0.4401855 0.2388507 ] [ 0.1016577 0.2937611 -0.4538389 ] [ 1.0829872 0.0148143 0.7718089 ] [ 0.4508387 0.1009561 -0.4212907 ] [ -0.2017446 -0.6652492 0.2372575 ] [ 0.6648583 0.3113928 0.6450292 ] [ -0.865988 -0.1323559 -0.2750685 ] [ -0.0907101 -0.4004632 -0.6413623 ] [ -0.0518244 -0.5327924 -0.133921 ] [ -0.2937205 -0.0156512 -0.153893 ] [ -0.104185 0.5861289 -0.2740739 ] [ 0.7577468 0.0195104 0.2456946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7266612723672248e-09 4.0877133551559e-11 -1.0761687469917377e-09 ] [ -5.346322436114208e-10 -8.938543441085999e-12 1.2999237689486123e-09 ] [ -2.480839139265012e-10 -7.963292115263665e-10 1.498895521642458e-10 ] [ -1.6342059073079573e-09 -4.220238997613844e-10 1.991837206625238e-10 ] [ 4.760489754245376e-10 -8.535682535173236e-10 1.070563211602362e-09 ] [ 3.88376428053087e-10 1.2292338132445716e-09 4.94221824113346e-10 ] [ 2.46377916246618e-10 -7.977368839169988e-10 -7.77709355556672e-10 ] [ 2.055148818494382e-10 -3.1164642665652963e-10 4.6306653815923557e-10 ] [ 1.2143111400754956e-09 8.864047034134902e-10 -1.1452481947432819e-09 ] [ -1.0268497447556327e-09 -2.2269790581376143e-10 7.613822143502316e-10 ] [ 6.757220008310849e-10 2.2443979225024619e-10 -6.744703804446042e-10 ] [ 7.96949894754378e-11 8.95044761347662e-10 -1.0448317742073318e-09 ] [ -7.466208803681993e-10 2.547738024617682e-10 5.043602376356345e-10 ] [ 5.673458065597596e-10 5.179329167729023e-10 3.554031522723768e-10 ] [ -2.76753583050624e-11 -1.74718964114334e-11 1.5727568257758384e-09 ] [ -6.690531008097234e-10 8.516738398652819e-11 1.2357386503786116e-09 ] [ 7.404840632069893e-10 5.125391891345413e-10 6.15403254914253e-10 ] [ 5.144352049632168e-10 -5.512106061140724e-10 6.208112419246565e-10 ] [ 7.25939824158864e-11 8.633139735466189e-10 -4.745277087105546e-10 ] [ 4.366105964903106e-10 7.159034692881612e-10 -2.437907214180348e-10 ] [ -1.202979425396204e-09 -9.491962487472377e-10 -5.789647915095276e-10 ] [ 1.1213840942151785e-09 2.571342892966404e-10 -8.14141250037198e-11 ] [ -1.93099134459582e-11 -6.387724430801136e-10 -8.757673720873739e-11 ] [ 1.179032171900796e-10 1.5488944876420325e-09 -1.0339199900238115e-09 ] [ -3.47606640336006e-10 -8.142500378306466e-10 4.2826389709782424e-10 ] [ 4.0033427336094603e-10 4.1034098796391975e-10 -1.4582148149462274e-09 ] [ -6.445332293853241e-11 -6.1080580906299e-11 1.5714148426272e-11 ] [ -7.373264934967021e-11 -2.656290298101084e-09 -8.475086612698722e-10 ] [ -2.446023841008192e-10 -6.28430553125307e-10 -8.533168720034489e-10 ] [ 6.27144806376522e-10 -3.7323890299739163e-10 5.186439627630714e-10 ] [ -1.2840776011676989e-09 1.7330236759985023e-09 -9.76829790242153e-10 ] [ -5.119334061492258e-10 1.841154096374172e-10 -1.732006133618249e-09 ] [ 9.9966208901796e-11 -1.7794111756473773e-09 2.148433950832398e-10 ] [ 5.137185513548286e-10 -9.977340296566044e-10 7.083634658308938e-10 ] [ -1.0799458784063927e-09 -4.78436378826861e-10 1.6126098480229447e-09 ] [ 6.276267411080292e-10 1.3738579721188398e-09 -4.954926706194347e-10 ] [ -6.35256626674464e-11 1.4054120398371527e-09 6.87800009386494e-11 ] [ -5.98888819259298e-10 7.907725425243275e-10 1.0696829757596424e-09 ] [ -2.06603881307568e-10 4.756183103453184e-10 4.4502442708376163e-10 ] [ -9.687123623259918e-10 -7.643488046057461e-10 -6.118507486636848e-10 ] [ 1.2251466606512377e-09 2.355140371444542e-10 -8.163778886182619e-10 ] [ 4.6071069763660204e-11 -4.6450080668199244e-10 4.455146931337656e-10 ] [ -1.7058831242538689e-09 -7.655677405888933e-10 4.51607931090531e-10 ] [ 3.751951606675056e-10 1.4107408793218368e-09 -5.028492248521092e-10 ] [ 1.2098949004015382e-10 1.0014296102805888e-09 -1.1340007545549383e-09 ] [ 8.443504506889315e-10 3.400304276868102e-10 -1.651482017734716e-10 ] [ 1.78529741238303e-10 -4.259649338456976e-10 1.7904005051799836e-09 ] [ 1.0098903846494161e-10 -4.06193433311484e-11 6.327562698194436e-10 ] [ 1.4078782703298691e-09 -1.490854197116412e-10 -1.056932693888607e-09 ] [ -1.1541058282643508e-09 -7.807908218768443e-10 3.673138935871962e-10 ] [ 3.0098169810997197e-10 -2.915525681835552e-10 1.312171127574235e-09 ] [ 4.5757043143396195e-10 1.0264652223634728e-09 -1.2110841961169563e-09 ] [ -3.6617394491210517e-10 -7.05254922725607e-10 3.826810105545438e-10 ] [ 1.628735916061818e-10 4.706571703981373e-10 -7.271300811802625e-10 ] [ 1.7351367867610848e-09 2.37351253090662e-11 1.2365741854932426e-09 ] [ 7.223232308429358e-10 1.617495044797674e-10 -6.749821156615039e-10 ] [ -3.232304841556764e-10 -1.0658467240271928e-09 3.80128422741255e-10 ] [ 1.0652204331809622e-09 4.989062681558353e-10 1.0334507124877126e-09 ] [ -1.387465738924392e-09 -2.120575303520406e-10 -4.40708323449429e-10 ] [ -1.453336026878034e-10 -6.416127818168688e-10 -1.0275756909884983e-09 ] [ -8.30318427510696e-11 -8.536275340527817e-10 -2.1456509700191401e-10 ] [ -4.70592122026797e-10 -2.5075986934060802e-11 -2.46563768736162e-10 ] [ -1.6692277261329e-10 9.390820280921226e-10 -4.3911479856925255e-10 ] [ 1.2140442174482713e-09 3.12591069999936e-11 3.9364614721997644e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -254.43007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.076419131409844e-17 } }