{ "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" [ 10.8883 0 0 ] "si-unit" "m" "si-value" [ 1.08883e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.08893 9.25118 0 ] "si-unit" "m" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.000292429 -0.0106915 10.0599 ] "si-unit" "m" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ -0.0447334 -0.306647 7.45196 ] [ -1.26306 2.30575 0.363968 ] [ -1.39208 2.33654 2.5263 ] [ -1.17537 2.25364 4.90735 ] [ -1.46062 2.40803 7.6638 ] [ -2.65707 4.84171 -0.172878 ] [ -2.69521 4.91401 2.73911 ] [ -2.71562 4.80584 5.08926 ] [ -2.41811 4.7596 7.57071 ] [ -3.78692 6.96269 -0.124184 ] [ -3.67368 6.79821 2.28555 ] [ -3.63384 6.77872 5.17021 ] [ -3.90874 6.88934 7.63294 ] [ 2.22908 0.0767241 0.0508547 ] [ 2.66227 -0.0303766 2.20661 ] [ 2.68937 -0.14877 5.17388 ] [ 2.69311 0.141266 7.96758 ] [ 1.48301 2.08354 -0.377774 ] [ 1.28213 2.1725 2.62382 ] [ 1.22126 2.22618 5.08282 ] [ 1.21936 2.44469 7.82317 ] [ 0.113886 4.55562 -0.179321 ] [ 0.0810082 4.45019 2.6631 ] [ 0.179801 4.81405 5.52672 ] [ 0.094404 4.56508 7.94684 ] [ -1.18564 6.74928 0.170597 ] [ -1.09246 6.89596 2.51272 ] [ -1.03539 6.71682 5.11403 ] [ -1.20238 6.93517 7.66034 ] [ 5.60211 -0.0612136 0.339346 ] [ 5.09974 -0.103113 2.43936 ] [ 5.14881 -0.0708218 5.59289 ] [ 5.38392 -0.436684 7.94408 ] [ 4.14454 2.22131 0.192156 ] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 ] [ -3.90874e-10 6.889340000000001e-10 7.63294e-10 ] [ 2.2290800000000002e-10 7.672410000000001e-12 5.08547e-12 ] [ 2.66227e-10 -3.0376600000000002e-12 2.20661e-10 ] [ 2.68937e-10 -1.4877e-11 5.17388e-10 ] [ 2.69311e-10 1.4126600000000001e-11 7.96758e-10 ] [ 1.48301e-10 2.0835400000000002e-10 -3.77774e-11 ] [ 1.2821300000000002e-10 2.1725e-10 2.62382e-10 ] [ 1.2212600000000001e-10 2.2261799999999999e-10 5.08282e-10 ] [ 1.21936e-10 2.4446900000000003e-10 7.82317e-10 ] [ 1.13886e-11 4.5556200000000004e-10 -1.79321e-11 ] [ 8.10082e-12 4.45019e-10 2.6631000000000003e-10 ] [ 1.79801e-11 4.814050000000001e-10 5.52672e-10 ] [ 9.4404e-12 4.5650800000000004e-10 7.94684e-10 ] [ -1.18564e-10 6.749279999999999e-10 1.7059700000000002e-11 ] [ -1.09246e-10 6.895959999999999e-10 2.51272e-10 ] [ -1.03539e-10 6.71682e-10 5.114029999999999e-10 ] [ -1.20238e-10 6.935170000000001e-10 7.66034e-10 ] [ 5.60211e-10 -6.1213600000000005e-12 3.39346e-11 ] [ 5.09974e-10 -1.03113e-11 2.43936e-10 ] [ 5.14881e-10 -7.0821800000000004e-12 5.59289e-10 ] [ 5.38392e-10 -4.3668400000000003e-11 7.94408e-10 ] [ 4.1445400000000004e-10 2.22131e-10 1.92156e-11 ] [ 4.3364000000000007e-10 2.2558500000000003e-10 2.6103600000000003e-10 ] [ 4.00854e-10 2.3114900000000002e-10 4.79378e-10 ] [ 4.1570200000000004e-10 2.19838e-10 8.05353e-10 ] [ 2.53922e-10 4.31267e-10 -1.30544e-11 ] [ 2.70029e-10 4.51493e-10 2.3599000000000003e-10 ] [ 2.72561e-10 4.39358e-10 4.81989e-10 ] [ 2.3496700000000004e-10 4.5672600000000005e-10 7.95271e-10 ] [ 1.36939e-10 6.77949e-10 1.3361500000000001e-11 ] [ 1.5139700000000001e-10 6.809179999999999e-10 2.2221099999999998e-10 ] [ 1.61838e-10 7.05731e-10 5.273170000000001e-10 ] [ 1.4023600000000002e-10 6.74712e-10 8.092549999999999e-10 ] [ 7.86412e-10 -1.8199499999999998e-11 -3.1195e-11 ] [ 7.87067e-10 -5.99447e-11 2.54961e-10 ] [ 7.76506e-10 -1.9760799999999998e-12 5.58805e-10 ] [ 7.79642e-10 2.8380400000000003e-12 7.68034e-10 ] [ 6.643110000000001e-10 2.16023e-10 3.5492300000000003e-13 ] [ 6.431e-10 1.9413700000000001e-10 2.84412e-10 ] [ 6.70356e-10 2.0474100000000002e-10 5.1608e-10 ] [ 6.74068e-10 1.76825e-10 7.94802e-10 ] [ 5.37861e-10 4.5050600000000005e-10 -3.841570000000001e-11 ] [ 5.18526e-10 4.8805e-10 2.50278e-10 ] [ 5.358780000000001e-10 4.63189e-10 5.44052e-10 ] [ 5.37541e-10 4.43597e-10 7.87672e-10 ] [ 4.13979e-10 6.76291e-10 -4.35976e-11 ] [ 3.98975e-10 6.69094e-10 2.6118100000000003e-10 ] [ 4.38282e-10 6.87505e-10 5.19986e-10 ] [ 3.92995e-10 7.04105e-10 8.086330000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4033591 -0.25168 0.1014502 ] [ -0.7799896 -0.5411896 0.4028004 ] [ -0.3301859 -0.334377 -0.3235696 ] [ -0.3031849 0.5033912 -0.1282758 ] [ -0.8470235 -0.1608128 -0.1177585 ] [ -1.1300421 -0.2578752 0.2515813 ] [ -0.8793388 0.0325133 0.2034645 ] [ -0.3505405 -0.5073523 -0.3459311 ] [ -0.5691602 -1.1950631 0.7911515 ] [ -0.3797928 -1.4267273 -0.2954358 ] [ -0.2364404 -1.388511 -0.0820978 ] [ -0.8075218 -0.8302192 -0.4778265 ] [ -0.7204039 -0.2585361 0.3174788 ] [ -1.0341755 0.2386281 0.381621 ] [ -0.8406422 0.5281564 -0.4377339 ] [ -0.4304202 -0.1686297 -0.4817714 ] [ 0.6397043 -0.5427093 0.2316389 ] [ -0.1706831 -0.0285837 0.9901282 ] [ -0.1732541 0.3181672 -0.141589 ] [ 0.0687781 -0.1540115 -1.1721687 ] [ -0.405609 0.0092181 1.1675395 ] [ 0.1420134 0.0722021 -0.049108 ] [ 0.432559 -0.0290157 0.3568933 ] [ -0.1960138 -0.8141664 -1.9161436 ] [ -0.7973872 -0.5772559 1.7303218 ] [ -0.2489639 0.0114468 0.3206619 ] [ 0.2817995 -0.5225015 -0.589096 ] [ -0.8344458 -0.2670659 -1.3125411 ] [ -0.3292192 0.3776841 0.1186784 ] [ 0.0477825 -0.0622299 0.6827822 ] [ 0.1389241 0.5028282 -0.49106 ] [ -0.514294 0.3528277 -0.3589045 ] [ -0.4876426 0.1438634 0.2027739 ] [ 0.165654 -0.2179227 1.1689193 ] [ -0.35484 0.224021 -0.6238367 ] [ -0.8824149 0.4620824 -0.2871102 ] [ -0.0196511 0.0971278 0.6903188 ] [ -0.4887632 0.5004269 -0.0993301 ] [ -0.0905988 -0.0732322 1.01109 ] [ -0.0948686 0.100129 -1.5775053 ] [ 0.8567437 -0.0102312 1.3101205 ] [ 0.0064763 -0.2763982 0.1625493 ] [ 0.0559444 0.4103529 0.5956839 ] [ 1.4498327 -0.0769062 -2.0699383 ] [ 0.2255325 0.0427635 0.642421 ] [ -0.17329 -0.2485135 1.30394 ] [ 0.3513314 -0.398172 -0.5634425 ] [ 0.176477 0.0952121 -1.3413364 ] [ 1.4142848 0.5578154 1.4115865 ] [ 0.8154561 1.2553394 0.5511025 ] [ 0.9873562 0.0462426 -1.3840723 ] [ 1.3623369 -0.0054454 -0.6213361 ] [ 1.0956773 1.072579 1.2017685 ] [ 1.6479408 0.6277925 -0.1078203 ] [ 0.4165825 0.9451238 0.0306144 ] [ 0.0371691 1.6789381 -0.8667499 ] [ 0.6275353 0.1947559 1.7940417 ] [ 1.1049419 -0.4174795 -0.040215 ] [ 0.1627133 -0.3181381 -0.1014373 ] [ 0.3315565 0.0080493 -1.8456897 ] [ 1.0080566 -0.1375479 2.7262589 ] [ 0.7595021 0.7031012 0.1638749 ] [ -0.0490179 0.2290905 -0.0154577 ] [ 0.5425165 0.1566301 -2.7489669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.2484291406069295e-09 -4.03235811922944e-10 1.6254113861548417e-10 ] [ -1.2496811015871436e-09 -8.670813245401038e-10 6.453573837288884e-10 ] [ -5.290161294978067e-10 -5.357310119332416e-10 -5.184156483216077e-10 ] [ -4.857557585595859e-10 8.065216117564571e-10 -2.0552048777441663e-10 ] [ -1.357081248968189e-09 -2.5765050848538627e-10 -1.8866991560047681e-10 ] [ -1.8105270331397358e-09 -4.1316161652412423e-10 4.0307767709047106e-10 ] [ -1.408856067122327e-09 5.2092049125056646e-11 3.259860650627616e-10 ] [ -5.616277937435424e-10 -8.128679935691078e-10 -5.542427208276269e-10 ] [ -9.118951659298522e-10 -1.9147021592007724e-09 1.2675644368108513e-09 ] [ -6.084951449081702e-10 -2.285869124317108e-09 -4.733403317073447e-10 ] [ -3.788192810926003e-10 -2.224639861923629e-09 -1.3153517577911424e-10 ] [ -1.2937925487463335e-09 -1.3301577923792795e-09 -7.655624470986912e-10 ] [ -1.1542142861131411e-09 -4.1422049505281086e-10 5.08657110959639e-10 ] [ -1.6569318079041503e-09 3.823243628859245e-10 6.114242442063168e-10 ] [ -1.3468572792978778e-09 8.461998362058931e-10 -7.013270207116051e-10 ] [ -6.896091815600602e-10 -2.701745629125178e-10 -7.718828736500852e-10 ] [ 1.0249192736852295e-09 -8.695161523507334e-10 3.7112643004782914e-10 ] [ -2.734644723856685e-10 -4.5796135875960963e-11 1.5863602536347867e-09 ] [ -2.7758366847774526e-10 5.097600493453977e-10 -2.268505855624512e-10 ] [ 1.1019466384304447e-10 -2.467536246343392e-10 -1.878021286773529e-09 ] [ -6.498572569860672e-10 1.476902430819648e-11 1.8706044907605215e-09 ] [ 2.2753054932031875e-10 1.156805165926637e-10 -7.86796894942464e-11 ] [ 6.930359169166272e-10 -4.648827617614656e-11 5.718061013801607e-10 ] [ -3.14048727714167e-10 -1.304438371520901e-09 -3.070000478015547e-09 ] [ -1.2775551295651738e-09 -9.248659071988628e-10 2.7722811344205737e-09 ] [ -3.988841400031891e-10 1.833979534297344e-11 5.137569993613076e-10 ] [ 4.514925706531296e-10 -8.371396876329312e-10 -9.438358386067969e-10 ] [ -1.3369295520847527e-09 -4.278867411929108e-10 -2.1029226642591148e-09 ] [ -5.274673053584793e-10 6.051166350678894e-10 1.9014375787395074e-10 ] [ 7.6556004383376e-11 -9.970329089472191e-11 1.09393767793839e-09 ] [ 2.2258094508568127e-10 8.056195863189465e-10 -7.86764851410048e-10 ] [ -8.239898230177152e-10 5.652922921106362e-10 -5.750283989999137e-10 ] [ -7.812895730261261e-10 2.3049457606879873e-10 3.2487960188843715e-10 ] [ 2.654069659420032e-10 -3.4915065508161217e-10 1.8728151740619014e-09 ] [ -5.68516352124672e-10 3.589212087682368e-10 -9.994965759370234e-10 ] [ -1.41378452262557e-09 7.403376181631539e-10 -4.6000125003321213e-10 ] [ -3.148453299300288e-11 1.5561589038973824e-10 1.1060126422587111e-09 ] [ -7.830849721473946e-10 8.017722795994195e-10 -1.5914436396172609e-10 ] [ -1.4515527923253504e-10 -1.1733091872974977e-10 1.619944759524672e-09 ] [ -1.5199625296802688e-10 1.604243428640832e-10 -2.5274421108480907e-09 ] [ 1.372654726157689e-09 -1.639218944272896e-11 2.0990444355308066e-09 ] [ 1.037617644928704e-11 -4.4283873407120257e-10 2.6043268818740547e-10 ] [ 8.963280974468352e-11 6.574578226574804e-10 9.543908179669652e-10 ] [ 2.32288805601134e-09 -1.2321731563456897e-10 -3.316406750758497e-09 ] [ 3.61342898730576e-10 6.851467992358081e-11 1.0292719069109568e-09 ] [ -2.77641186618432e-10 -3.981625196531808e-10 2.0891421829259524e-09 ] [ 5.628949552329332e-10 -6.379418694571776e-10 -9.02734400665104e-10 ] [ 2.827473235089216e-10 1.525466006372717e-10 -2.1490578207080375e-09 ] [ 2.2659340417128037e-09 8.937187926022003e-10 2.2616108885368995e-09 ] [ 1.306504698708747e-09 2.0112754378490997e-09 8.829635411644321e-10 ] [ 1.581919020041929e-09 7.408881260500609e-11 -2.2175282805568837e-09 ] [ 2.182704330833148e-09 -8.724492570904321e-12 -9.954901730790508e-10 ] [ 1.755468554001268e-09 1.7184609977610431e-09 1.9254453943138848e-09 ] [ 2.6402922222224488e-09 1.005834466213584e-09 -1.7274716390764222e-10 ] [ 6.674387421344161e-10 1.514255256121655e-09 4.904967593981952e-11 ] [ 5.955146303617728e-11 2.6899553715903725e-09 -1.3886864258607379e-09 ] [ 1.0054223863867143e-09 3.1203334974286273e-10 2.8743716684802873e-09 ] [ 1.7703120795223315e-09 -6.688758945632736e-10 -6.4431532805472e-11 ] [ 2.6069544515321666e-10 -5.097134260057325e-10 -1.6252047053707583e-10 ] [ 5.312120727742751e-10 1.2896400273805442e-11 -2.957120886591366e-09 ] [ 1.6150847169631374e-09 -2.2037602962013632e-10 4.3679482718279256e-09 ] [ 1.2168565080685037e-09 1.126492304696425e-09 2.6255653351593794e-10 ] [ -7.853533338071233e-11 3.670434431473824e-10 -2.476596555134016e-11 ] [ 8.692072526982432e-10 2.5094908433356607e-10 -4.404330498533052e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 326.91945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.237826996747946e-17 } }