{ "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" [ [ -0.4822845 0.1279081 -0.6574404 ] [ -1.8023066 -0.6446082 0.0747686 ] [ 0.4310883 -0.0287508 -0.8867953 ] [ -1.7235393 -1.7085109 4.2470653 ] [ -0.0308019 0.3829087 -0.2598394 ] [ 0.1381933 1.1351888 -0.3191218 ] [ -0.5387406 -1.775812 0.2198956 ] [ 0.5426664 -0.1762007 0.252232 ] [ 2.038954 -0.2173401 -1.226598 ] [ -0.8628761 -0.6134168 0.7294728 ] [ 0.1256959 0.3036092 -0.0413509 ] [ -0.5918008 2.4761455 -1.2245238 ] [ -0.0812902 -0.3435014 0.6004917 ] [ 1.2085095 0.311967 0.5417371 ] [ 0.0604219 0.4516593 -0.0366607 ] [ -0.003138 -0.6370446 0.5960728 ] [ -0.5400276 0.0905572 2.7578647 ] [ 0.1922522 -0.0486018 -1.2253771 ] [ 0.1403483 -0.7439556 -0.1428532 ] [ 0.6839245 1.689408 -0.3947042 ] [ -0.6563247 -0.3012474 -1.2586648 ] [ 1.2636156 0.0429418 -0.3187567 ] [ -0.0408091 -0.3240346 0.5814873 ] [ 0.2890761 1.1312146 0.4174184 ] [ -0.5644056 -1.2146253 0.6941085 ] [ 1.43726 1.6961699 -4.1010783 ] [ -0.8540981 0.0403274 0.7457281 ] [ 2.0193137 -3.8947772 -3.2519798 ] [ 0.1843404 0.3762922 0.743012 ] [ -0.3462862 -0.293768 0.3179119 ] [ -3.5253077 1.4098641 -1.5358938 ] [ 0.3683912 -0.5438194 0.3218308 ] [ 1.3765566 -2.3374356 0.5354961 ] [ -0.2640397 -0.2798735 0.063235 ] [ -0.2734765 0.3478279 0.2790114 ] [ 0.3017124 0.6028469 0.3023316 ] [ 0.6986204 0.3875707 0.0037839 ] [ 0.1160156 0.9623296 0.4421859 ] [ -1.4066433 0.2043392 -0.2304674 ] [ 0.1065311 -0.3028291 -0.7850938 ] [ 0.3256702 -0.1320891 -0.00126 ] [ 0.3865313 0.2062059 0.0998563 ] [ -1.530696 -1.5287147 0.1776051 ] [ -0.5256297 0.117857 -0.2863874 ] [ 0.174831 0.0817032 -0.1682629 ] [ 0.1102719 -0.389551 -0.3219172 ] [ -1.2768507 2.5320023 3.1446735 ] [ -1.782625 1.3019807 1.3147254 ] [ 0.6449581 -1.2084841 -0.4180199 ] [ -0.2044203 -0.0520489 0.3421404 ] [ 3.3935824 1.0854132 1.5039812 ] [ 0.2685943 0.1909678 -0.417161 ] [ 0.4788184 -0.662908 -0.4201877 ] [ -0.6561168 0.0792367 0.1904159 ] [ -0.1044409 0.6085176 0.4748249 ] [ 0.2280286 0.4864441 -0.2006527 ] [ -0.089107 -0.4559993 0.1079328 ] [ 0.5076778 -0.5913036 -0.0213604 ] [ -0.3992684 0.1350875 -0.3661212 ] [ 0.3495172 -1.4047632 -0.4947062 ] [ -0.2241967 0.022988 -0.7606412 ] [ -0.9579173 1.0473952 -1.0840518 ] [ 0.0832867 -0.2923198 0.2044027 ] [ 1.66421 1.0814595 -0.1697707 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.72704956840373e-10 2.049313691193354e-10 -1.0533356471276137e-09 ] [ -2.8876135218239846e-09 -1.0327761961247987e-09 1.197925038768924e-10 ] [ 6.906796014507822e-10 -4.60638599688072e-11 -1.42080270880102e-09 ] [ -2.7614143942407166e-09 -2.7373362429143105e-09 6.8045487867322005e-09 ] [ -4.93500844628046e-11 6.134873720953158e-10 -4.163086152725796e-10 ] [ 2.2141007623535217e-10 1.8187729705384995e-09 -5.112894913600212e-10 ] [ -8.631576011071404e-10 -2.8451644927768078e-09 3.523115922394104e-10 ] [ 8.694474261368975e-10 -2.823046444344438e-10 4.0412021674708804e-10 ] [ 3.2667644566008357e-09 -3.4821722985122343e-10 -1.965226654911132e-09 ] [ -1.3824799254570474e-09 -9.828020638630512e-10 1.1687442752985553e-09 ] [ 2.013870339696006e-10 4.864355661074328e-10 -6.625144577487061e-11 ] [ -9.481694137425072e-10 3.967222462484247e-09 -1.9619034201368892e-09 ] [ -1.302412590131868e-10 -5.503499168262876e-10 9.620937706509378e-10 ] [ 1.936245682867023e-09 4.998262379790779e-10 8.679585233909213e-10 ] [ 9.68065563618846e-11 7.236379769887962e-10 -5.873691692608379e-11 ] [ -5.027630277492e-12 -1.0206579729358763e-09 9.550139123229552e-10 ] [ -8.652196024350985e-10 1.450886298804648e-10 4.41858638207342e-09 ] [ 3.0802198267509483e-10 -7.78686683303412e-11 -1.9632705574586815e-09 ] [ 2.2486276688162222e-10 -1.1919482790534504e-09 -2.288760591321288e-10 ] [ 1.0957678533201332e-09 2.706730022892672e-09 -6.323858465816628e-10 ] [ -1.0515480986570598e-09 -4.826515453332516e-10 -2.016603332598283e-09 ] [ 2.0245353886778904e-09 6.880034858190121e-11 -5.107045366709478e-10 ] [ -6.53833864745694e-11 -5.191606647275364e-10 9.316453650277483e-10 ] [ 4.631509728678474e-10 1.8124056001596566e-09 6.687780070816656e-10 ] [ -9.042774644187503e-10 -1.94604427472524e-09 1.112084420160789e-09 ] [ 2.30274438898284e-09 2.7175637810741165e-09 -6.570651826464442e-09 ] [ -1.3684160189637954e-09 6.46116179899716e-11 1.1947881371372153e-09 ] [ 3.235297226856086e-09 -6.240121024475945e-09 -5.210246049799993e-09 ] [ 2.9534588158221357e-10 6.028865703964548e-10 1.190436465181608e-09 ] [ -5.548116583166508e-10 -4.70668225416912e-10 5.093510178505446e-10 ] [ -5.648165624600281e-09 2.2588513181354394e-09 -2.460773158665469e-09 ] [ 5.902277728112208e-10 -8.712947357958995e-10 5.156297878615272e-10 ] [ 2.2054868198984846e-09 -3.74498470179977e-09 8.579593390181275e-10 ] [ -4.2303823778836977e-10 -4.48406782175799e-10 1.0131363945099e-10 ] [ -4.3815765824810103e-10 5.572817340332886e-10 4.470255456996276e-10 ] [ 4.833965574680615e-10 9.658672170593346e-10 4.843886252398344e-10 ] [ 1.1193132809157337e-09 6.209567195630238e-10 6.0624761653926e-12 ] [ 1.8587748349949039e-10 1.5418219993265664e-09 7.084599168642607e-10 ] [ -2.2536910276326522e-09 3.273874916502528e-10 -3.692494831787316e-10 ] [ 1.706816392143174e-10 -4.851857081152494e-10 -1.2578589418582692e-09 ] [ 5.217811848301069e-10 -2.116300696260894e-10 -2.0187425588400002e-12 ] [ 6.192914171696442e-10 3.303782747729406e-10 1.5998743061769419e-10 ] [ -2.452445364957264e-09 -2.44927097239232e-09 2.845547412992334e-10 ] [ -8.421516234764298e-10 1.88827731553338e-10 -4.588432005520116e-10 ] [ 2.80110143098854e-10 1.309029579630288e-10 -2.695868867490786e-10 ] [ 1.766750615667846e-10 -6.24129509951334e-10 -5.157682159227049e-10 ] [ -2.045740356646544e-09 4.0567149222942575e-09 5.038322403258999e-09 ] [ -2.85608012218425e-09 2.086003055458964e-09 2.1064223160063036e-09 ] [ 1.0333367977290353e-09 -1.936204987580519e-09 -6.697417163270166e-10 ] [ -3.275174281752702e-10 -8.339153140540261e-11 5.481693544274136e-10 ] [ 5.437118426833642e-09 1.739023667275169e-09 2.4096435366152808e-09 ] [ 4.3033551148558623e-10 3.059641470063852e-10 -6.68365606816074e-10 ] [ 7.671516524092656e-10 -1.062095708091672e-09 -6.732149148342017e-10 ] [ -1.051215006134851e-09 1.269511892952678e-10 3.050799057220806e-10 ] [ -1.673327696139306e-10 9.749526800977585e-10 7.607533600213866e-10 ] [ 3.653420948037324e-10 7.793693707671594e-10 -3.214810674890118e-10 ] [ -1.42765153325838e-10 -7.305914235803562e-10 1.7292741020219518e-10 ] [ 8.133895087605252e-10 -9.473728115200824e-10 -3.42231337728936e-11 ] [ -6.396985011745657e-10 2.16434036045475e-10 -5.865908318520408e-10 ] [ 5.599882910211047e-10 -2.250678775343069e-09 -7.926067143349308e-10 ] [ -3.592027141599078e-10 3.6830836462392e-11 -1.2186815574977208e-09 ] [ -1.5347527153643682e-09 1.6781121160037567e-09 -1.7368424640056411e-09 ] [ 1.334400046629678e-10 -4.683479532155533e-10 3.2748922986651177e-10 ] [ 2.66635837606914e-09 1.732689141517323e-09 -2.720026486778238e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -262.55474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.206590695739451e-17 } }