{ "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" [ [ -0.7044798 -0.0936332 -0.5543039 ] [ -0.52039 -0.5618706 0.6116215 ] [ -0.1477933 -0.0557431 0.149831 ] [ -1.0789948 -1.1277659 3.4113937 ] [ 0.0066232 -0.0389059 0.0850406 ] [ 0.4590311 0.4915642 0.4665417 ] [ -0.1612545 -0.6591435 -0.2119168 ] [ 0.198611 -0.4017943 0.0739801 ] [ 0.6249657 -0.2840158 -0.6592672 ] [ 0.0951971 -0.1567058 0.4693052 ] [ -0.0449809 0.3376103 0.0055078 ] [ -0.1479951 0.7442637 -0.9119326 ] [ -0.1372373 -0.1998701 0.4930556 ] [ 0.3217936 0.378015 -0.3378682 ] [ -0.1495984 -0.3919126 0.0988071 ] [ -0.0927146 0.3892036 0.8146468 ] [ 0.0795644 0.3711301 0.8867285 ] [ -0.0127504 0.141789 -0.3964999 ] [ 0.0906093 0.1942822 0.1361798 ] [ 0.1714901 0.3139541 -0.0724254 ] [ -0.5148396 -0.3271505 -0.6861847 ] [ 0.1589602 -0.1767714 -0.0007288 ] [ 0.4046006 0.1994952 0.1951434 ] [ -0.1769893 0.7989443 0.4468874 ] [ -0.1786611 -0.3680474 0.1835319 ] [ 0.4528725 1.4781641 -3.5035441 ] [ 0.1584421 0.3417459 0.3195316 ] [ 0.8861921 -2.1542844 -1.1412658 ] [ -0.1787628 0.6021875 -0.3353703 ] [ 0.1800413 -0.4746035 0.016261 ] [ -1.4937404 0.8974252 -0.645906 ] [ -0.3789274 0.1684818 -0.2441538 ] [ 0.4136038 -1.531778 0.0571819 ] [ 0.0690083 -0.1013459 0.0599034 ] [ -0.0303053 -0.0462324 0.1735239 ] [ 0.0145506 0.3171385 0.3419011 ] [ 0.2053192 0.4901869 0.2250626 ] [ 0.0390927 0.1075545 0.4053702 ] [ -0.5349705 0.3035393 -0.2022412 ] [ -0.3541374 -0.3602783 -0.6090378 ] [ 0.1767511 -0.1200971 0.1909911 ] [ 0.5853502 -0.0669995 0.1474535 ] [ -0.2790366 -1.1215605 0.0830947 ] [ -0.1622738 0.5950606 -0.0933014 ] [ -0.2138965 0.0453622 0.0252661 ] [ 0.4314907 0.3952393 -0.0016973 ] [ -1.0267409 0.5701759 1.393622 ] [ -0.3719241 0.5990839 0.4437149 ] [ 0.628742 -0.2324842 -0.4325927 ] [ -0.5943212 -0.3375268 0.1811421 ] [ 1.3044094 0.3163052 0.633521 ] [ 0.3724089 -0.0265821 -0.2105837 ] [ 0.1959733 -0.316973 -0.2585156 ] [ 0.0859342 0.1928187 -0.3343319 ] [ 0.514211 0.2963769 0.2408907 ] [ 0.1683797 0.0795022 -0.648252 ] [ 0.0070236 -0.3332169 0.0127189 ] [ 0.4381833 -0.3654893 0.2168153 ] [ -0.4490696 -0.097826 -0.1419597 ] [ -0.277076 -0.645818 -0.3440297 ] [ -0.0551304 0.3154458 -0.4216993 ] [ -0.4217803 0.521255 -0.4458138 ] [ 0.2257366 -0.1221957 -0.0709181 ] [ 0.7256092 0.3053204 0.2201732 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1287010653858598e-09 -1.5001692397069056e-10 -8.880927493982611e-10 ] [ -8.33756691698112e-10 -9.002159392348685e-10 9.799256680786272e-10 ] [ -2.3679096997088065e-10 -8.931029159091648e-11 2.400557252710848e-10 ] [ -1.728740242524772e-09 -1.8068801587154708e-09 5.465655230484409e-09 ] [ 1.061153619488256e-11 -6.233412339118272e-11 1.3625006113880447e-10 ] [ 7.35448896640107e-10 7.875726688622554e-10 7.474822043682874e-10 ] [ -2.583581898987936e-10 -1.0560643054522848e-09 -3.395281425147494e-10 ] [ 3.182099008337088e-10 -6.437454338307014e-10 1.1852918662444607e-10 ] [ 1.0013054333419065e-09 -4.550434746978086e-10 -1.0562624947002778e-09 ] [ 1.525225679879597e-10 -2.5107036910376065e-10 7.519098194598682e-10 ] [ -7.206734636254271e-11 5.409113296012742e-10 8.82446839204224e-12 ] [ -2.3711428921295807e-10 1.192441899850105e-09 -1.461077091465358e-09 ] [ -2.1987839356171586e-10 -3.202272014169581e-10 7.899621550745165e-10 ] [ 5.155701826430669e-10 6.05646795311712e-10 -5.413245309517786e-10 ] [ -2.3968305898908673e-10 -6.279132051169421e-10 1.583064255890477e-10 ] [ -1.4854516452682367e-10 6.235729086511948e-10 1.3052080571695335e-09 ] [ 1.274762215279795e-10 5.946159694951661e-10 1.4206956716970529e-09 ] [ -2.042839278584832e-11 2.271710208866112e-10 -6.35262869929538e-10 ] [ 1.4517210208705346e-10 3.112743986775898e-10 2.1818409178521984e-10 ] [ 2.747574289186541e-10 5.030099190243053e-10 -1.1603828263208833e-10 ] [ -8.248639705820236e-10 -5.241528825830304e-10 -1.0993890838906617e-09 ] [ 2.546823160776922e-10 -2.832190043060851e-10 -1.16766632123904e-12 ] [ 6.482416220816524e-10 3.1962654540182017e-10 3.1265419318342274e-10 ] [ -2.835681185917574e-10 1.2800498787814215e-09 7.159925444100979e-10 ] [ -2.8624663746641087e-10 -5.89676939626226e-10 2.940505193510035e-10 ] [ 7.255817317032481e-10 2.3682799627258735e-09 -5.613296446961778e-09 ] [ 2.538522283704557e-10 5.475372912342547e-10 5.119460591268174e-10 ] [ 1.4198362641576559e-09 -3.4515441002341553e-09 -1.8285093828786086e-09 ] [ -2.8640957882874626e-10 9.64810733838e-10 -5.373224539706822e-10 ] [ 2.8845796163843905e-10 -7.603986318498528e-10 2.60529940308288e-11 ] [ -2.3932359464244405e-09 1.4378336743567642e-09 -1.0348554924344447e-09 ] [ -6.0710862126053e-10 2.699376009903014e-10 -3.911775102394791e-10 ] [ 6.626663386340391e-10 -2.4541788998557827e-09 9.161550331292352e-11 ] [ 1.1056348490115263e-10 -1.6237403159393474e-10 9.597582698643072e-11 ] [ -4.855444314633024e-11 -7.407247040347393e-11 2.7801593573003717e-10 ] [ 2.3312631138612482e-11 5.081118902555808e-10 5.477859490458029e-10 ] [ 3.289576220413594e-10 7.853659910024275e-10 3.6059003593646207e-10 ] [ 6.263340998394816e-11 1.723213053618336e-10 6.494746572090202e-10 ] [ -8.571172279176864e-10 4.863235699539975e-10 -3.24026122402537e-10 ] [ -5.673906628308979e-10 -5.772294692415686e-10 -9.757861243434661e-10 ] [ 2.831864801206829e-10 -1.9241676584587968e-10 3.060014752008749e-10 ] [ 9.378344054206043e-10 -1.0734503250528961e-10 2.362465503551328e-10 ] [ -4.470659168675213e-10 -1.7969380119127584e-09 1.3313238565238976e-10 ] [ -2.59991288528375e-10 9.533921812792207e-10 -1.4948532176790914e-10 ] [ -3.426999715709472e-10 7.267825630805376e-11 4.048075471879488e-11 ] [ 6.913243116326266e-10 6.332431660813575e-10 -2.71937437848384e-12 ] [ -1.645020265599151e-09 9.135224967235986e-10 2.2328285866325375e-09 ] [ -5.958880977320813e-10 9.598382184776851e-10 7.1090963908061e-10 ] [ 1.0073557329150336e-09 -3.7248074994539137e-10 -6.930899102687481e-10 ] [ -9.52207531885801e-10 -5.407775478534375e-10 2.902216376626157e-10 ] [ 2.0898942446317556e-09 5.067767964774682e-10 1.0150125349858368e-09 ] [ 5.966648329578451e-10 -4.258921915176768e-11 -3.37392280861561e-10 ] [ 3.1398383956102464e-10 -5.078467300248384e-10 -4.1418765043208453e-10 ] [ 1.3768176616715137e-10 3.08929613193049e-10 -5.356587537676436e-10 ] [ 8.238568423581888e-10 4.748481401251796e-10 3.859494477081466e-10 ] [ 2.6977401875731773e-10 1.2737656614216575e-10 -1.0386141987868417e-09 ] [ 1.1253047713850879e-11 -5.338723268354515e-10 2.037792422229312e-11 ] [ 7.020470388849927e-10 -5.855784116125575e-10 3.473764046917382e-10 ] [ -7.194888142320077e-10 -1.567345301063808e-10 -2.2744451243578176e-10 ] [ -4.439246893847808e-10 -1.0347145008918145e-09 -5.511963422008377e-10 ] [ -8.832863797535233e-11 5.053998858895527e-10 -6.756367594677255e-10 ] [ -6.757665357740103e-10 8.35142574475104e-10 -7.14272447590007e-10 ] [ 3.616699029788813e-10 -1.9577909370229056e-10 -1.1362332181155648e-10 ] [ 1.1625540960773914e-09 4.891772067333044e-10 3.5275635356672257e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -260.96317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.18109089863856e-17 } }