{ "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" [ 10.5065 0 0 ] "si-unit" "m" "si-value" [ 1.05065e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29456 9.10679 0 ] "si-unit" "m" "si-value" [ -5.29456e-10 9.106790000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.300197 -0.289307 10.1274 ] "si-unit" "m" "si-value" [ -3.00197e-11 -2.89307e-11 1.01274e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.166777 0.2889 0.160089 ] [ -0.0160537 -0.0748787 2.59637 ] [ 0.0483621 0.13793 5.05648 ] [ 0.0183163 -0.442995 7.92158 ] [ -1.28138 2.28063 0.541279 ] [ -1.16912 2.21695 2.36717 ] [ -1.58624 1.92524 5.15521 ] [ -1.51209 2.14614 7.67964 ] [ -2.65807 4.57561 0.140484 ] [ -2.66555 4.48385 3.11478 ] [ -2.78114 4.40833 5.23162 ] [ -2.75161 4.49924 7.7752 ] [ -3.83227 6.80964 0.234641 ] [ -3.99993 6.82728 2.54703 ] [ -4.02723 6.74868 5.24999 ] [ -3.93779 6.77179 7.95309 ] [ 2.64688 -0.115663 0.138059 ] [ 2.27053 -0.147588 2.29968 ] [ 2.66535 -0.248904 5.07467 ] [ 2.77125 -0.540283 7.76229 ] [ 1.09465 2.18677 -0.304932 ] [ 1.22676 2.35159 2.83509 ] [ 1.23658 1.78229 5.20326 ] [ 1.22871 2.00159 8.22219 ] [ -0.420408 4.37846 0.346732 ] [ 0.0513518 4.60394 2.65419 ] [ -0.0697398 4.43727 5.58738 ] [ -0.0613428 4.34785 8.06976 ] [ -1.06131 6.6025 0.34956 ] [ -1.46425 6.83203 3.09109 ] [ -1.36532 6.73501 5.63228 ] [ -1.39436 6.63365 8.01046 ] [ 5.38113 0.0419127 0.169106 ] [ 5.2671 -0.0580278 2.60097 ] [ 5.14759 -0.113649 4.87738 ] [ 5.26865 -0.11854 7.95327 ] [ 3.98619 2.46757 -0.0422091 ] [ 3.94606 2.26797 2.27804 ] [ 3.6551 1.95206 4.9426 ] [ 3.87811 1.67697 8.05328 ] [ 2.65067 4.50586 0.0479013 ] [ 2.59512 4.6275 2.54523 ] [ 2.59404 4.42744 5.36684 ] [ 2.55841 4.36474 7.98562 ] [ 1.30847 6.85832 0.140496 ] [ 1.04675 6.65886 3.00706 ] [ 1.19615 6.98315 5.12423 ] [ 1.25206 6.66293 8.01894 ] [ 8.04953 0.0322781 0.0182935 ] [ 7.55558 0.199785 2.74649 ] [ 7.93559 0.112055 5.0724 ] [ 7.98515 -0.166664 8.01653 ] [ 6.60842 2.50903 0.388618 ] [ 6.50185 2.22264 2.77693 ] [ 6.25597 2.16054 5.35335 ] [ 6.59137 1.90633 8.35502 ] [ 5.23396 4.56546 -0.0725681 ] [ 5.25066 4.49547 3.18851 ] [ 5.24015 4.40121 5.40633 ] [ 5.22152 4.38149 8.02722 ] [ 4.08756 6.79587 0.0520959 ] [ 4.05454 6.94186 3.14225 ] [ 3.82322 6.82242 5.08974 ] [ 3.89326 6.64076 8.04862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.66777e-11 2.889e-11 1.6008900000000003e-11 ] [ -1.60537e-12 -7.487870000000001e-12 2.5963699999999997e-10 ] [ 4.83621e-12 1.3793e-11 5.05648e-10 ] [ 1.83163e-12 -4.429950000000001e-11 7.92158e-10 ] [ -1.28138e-10 2.28063e-10 5.4127899999999994e-11 ] [ -1.16912e-10 2.2169500000000003e-10 2.36717e-10 ] [ -1.5862400000000003e-10 1.92524e-10 5.15521e-10 ] [ -1.51209e-10 2.14614e-10 7.67964e-10 ] [ -2.65807e-10 4.5756100000000003e-10 1.40484e-11 ] [ -2.66555e-10 4.4838500000000005e-10 3.1147800000000003e-10 ] [ -2.78114e-10 4.4083300000000004e-10 5.231620000000001e-10 ] [ -2.75161e-10 4.4992400000000007e-10 7.7752e-10 ] [ -3.83227e-10 6.80964e-10 2.34641e-11 ] [ -3.99993e-10 6.827280000000001e-10 2.54703e-10 ] [ -4.0272300000000006e-10 6.748680000000001e-10 5.24999e-10 ] [ -3.9377900000000005e-10 6.77179e-10 7.953090000000001e-10 ] [ 2.64688e-10 -1.15663e-11 1.3805899999999999e-11 ] [ 2.27053e-10 -1.47588e-11 2.29968e-10 ] [ 2.66535e-10 -2.48904e-11 5.074670000000001e-10 ] [ 2.77125e-10 -5.40283e-11 7.76229e-10 ] [ 1.09465e-10 2.1867700000000001e-10 -3.04932e-11 ] [ 1.22676e-10 2.35159e-10 2.8350900000000003e-10 ] [ 1.23658e-10 1.78229e-10 5.203260000000001e-10 ] [ 1.22871e-10 2.0015900000000003e-10 8.22219e-10 ] [ -4.20408e-11 4.3784599999999996e-10 3.46732e-11 ] [ 5.135180000000001e-12 4.60394e-10 2.65419e-10 ] [ -6.9739800000000005e-12 4.43727e-10 5.58738e-10 ] [ -6.13428e-12 4.34785e-10 8.069760000000001e-10 ] [ -1.06131e-10 6.602500000000001e-10 3.4956e-11 ] [ -1.4642500000000001e-10 6.83203e-10 3.09109e-10 ] [ -1.36532e-10 6.73501e-10 5.63228e-10 ] [ -1.39436e-10 6.63365e-10 8.01046e-10 ] [ 5.38113e-10 4.19127e-12 1.69106e-11 ] [ 5.2671e-10 -5.80278e-12 2.60097e-10 ] [ 5.14759e-10 -1.13649e-11 4.87738e-10 ] [ 5.26865e-10 -1.1854000000000002e-11 7.953270000000001e-10 ] [ 3.98619e-10 2.46757e-10 -4.2209100000000004e-12 ] [ 3.94606e-10 2.26797e-10 2.2780399999999999e-10 ] [ 3.6551e-10 1.95206e-10 4.9426e-10 ] [ 3.87811e-10 1.6769700000000003e-10 8.053280000000001e-10 ] [ 2.6506699999999997e-10 4.5058600000000006e-10 4.79013e-12 ] [ 2.5951200000000003e-10 4.6275000000000003e-10 2.5452300000000004e-10 ] [ 2.5940400000000004e-10 4.42744e-10 5.36684e-10 ] [ 2.55841e-10 4.3647400000000003e-10 7.98562e-10 ] [ 1.3084700000000002e-10 6.85832e-10 1.4049600000000001e-11 ] [ 1.0467500000000002e-10 6.65886e-10 3.00706e-10 ] [ 1.19615e-10 6.983150000000001e-10 5.12423e-10 ] [ 1.25206e-10 6.66293e-10 8.01894e-10 ] [ 8.049530000000001e-10 3.2278099999999998e-12 1.82935e-12 ] [ 7.55558e-10 1.99785e-11 2.74649e-10 ] [ 7.935590000000001e-10 1.1205500000000001e-11 5.0724e-10 ] [ 7.98515e-10 -1.6666400000000002e-11 8.016529999999999e-10 ] [ 6.60842e-10 2.50903e-10 3.88618e-11 ] [ 6.501850000000001e-10 2.2226400000000002e-10 2.77693e-10 ] [ 6.25597e-10 2.1605400000000003e-10 5.35335e-10 ] [ 6.59137e-10 1.9063300000000002e-10 8.35502e-10 ] [ 5.23396e-10 4.56546e-10 -7.25681e-12 ] [ 5.25066e-10 4.4954700000000004e-10 3.18851e-10 ] [ 5.24015e-10 4.40121e-10 5.406329999999999e-10 ] [ 5.22152e-10 4.38149e-10 8.02722e-10 ] [ 4.08756e-10 6.79587e-10 5.209590000000001e-12 ] [ 4.05454e-10 6.94186e-10 3.14225e-10 ] [ 3.82322e-10 6.82242e-10 5.08974e-10 ] [ 3.89326e-10 6.64076e-10 8.04862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3145258999999996 -3.1491243999999994 0.5079877999999999 ] [ -1.5635395999999997 0.9445804999999999 0.48769119999999994 ] [ -3.4969637999999996 -8.210872299999998 -0.19359359999999998 ] [ 0.29389509999999996 4.072192299999999 -1.2215192999999998 ] [ -3.4289597999999994 -1.1713465999999997 -17.705844799999998 ] [ -0.46124589999999993 -0.060979799999999994 18.087014599999996 ] [ 1.7163165999999999 8.855836499999999 2.1313797999999995 ] [ 0.9286568999999999 0.6838414999999999 -1.2285182999999997 ] [ -2.3942118999999997 0.7897351999999999 -0.7395712999999999 ] [ 1.8061341999999998 0.047707799999999995 -6.016421099999999 ] [ 2.8635921999999994 -0.7364445999999999 5.564417099999999 ] [ 0.8361730999999999 -0.7343338999999999 -0.03943259999999999 ] [ 0.5243079999999999 -1.6456602999999999 -0.49773459999999997 ] [ -0.40675629999999996 -3.6779241999999996 3.3558865999999994 ] [ -0.7344647999999999 0.019440599999999995 0.7571719999999998 ] [ -1.8209596999999997 -4.7881621999999995 -2.0880019999999995 ] [ 2.1833003999999994 1.0051218999999998 -3.3530563999999994 ] [ 3.0627410999999998 1.7520783999999998 5.201524599999999 ] [ -1.1617314999999997 -0.6773755999999999 0.9531387999999998 ] [ -0.9536926999999998 5.4647277999999995 -2.2455753999999994 ] [ -5.717887499999999 2.1213334999999995 33.25151799999999 ] [ 3.7856286999999997 -1.6441911999999999 0.22732489999999997 ] [ 4.894570999999999 7.709674799999999 0.42802959999999995 ] [ 6.491418199999999 1.8141159999999998 -33.860206999999996 ] [ 5.076672699999999 0.16769419999999996 -0.8980621999999999 ] [ -3.5613699999999997 -1.7637728999999998 0.7498193999999999 ] [ -0.8331259999999999 1.1512640999999997 -0.12693949999999998 ] [ -0.21461779999999997 -0.5374531999999999 -0.9454312999999999 ] [ -2.4518699999999995 2.4107449999999995 2.7016960999999995 ] [ -0.020803299999999997 0.21781799999999998 -3.1330420999999995 ] [ 0.2885113999999999 -1.2816740999999998 -1.3928614999999998 ] [ 2.8227806999999996 -2.3278164999999995 1.1071264999999997 ] [ -1.3574073999999998 0.15360269999999998 1.1632334999999998 ] [ -2.4826882999999995 -0.32348989999999994 -1.9504120999999999 ] [ -0.7416103999999999 0.5309989999999999 2.0512282999999996 ] [ 2.0999627999999997 -3.5300290999999997 -1.5113601999999997 ] [ 1.5255388999999997 0.6670671999999999 4.541697599999999 ] [ -1.7391164999999997 1.2787369999999998 4.601156399999999 ] [ 0.5413687999999999 3.8077901999999995 -1.4229841999999997 ] [ -1.4392744999999998 1.6571907999999997 -5.398517599999999 ] [ -0.6322717999999999 2.5541229999999997 4.669631399999999 ] [ 2.8462713999999996 -0.06590699999999998 2.1910252999999997 ] [ 1.6020196999999998 -0.8440815999999999 -1.5267734999999998 ] [ -0.09497849999999998 -0.15094449999999998 -5.0926675999999995 ] [ 2.4797153999999995 -0.27530289999999996 1.9878593999999998 ] [ 0.7689338999999998 1.2117534999999997 -3.2875715999999997 ] [ 1.0014988999999999 -0.7190222999999999 4.204777899999999 ] [ 0.24664609999999998 0.22663239999999998 -2.5557133999999997 ] [ -0.11040629999999999 -2.0564474999999995 6.901434899999999 ] [ 4.389487599999999 -0.38647799999999993 -2.4851414999999997 ] [ -3.5751160999999994 -7.791001999999999 0.5941592999999998 ] [ -0.5760956999999999 -0.4758108999999999 -4.904193799999999 ] [ -1.4088428999999998 -1.4382689999999998 2.5725438999999994 ] [ -1.8440768999999997 2.8261229999999995 0.9229870999999998 ] [ 0.8342849999999999 -0.6913568999999999 -0.18052039999999997 ] [ -1.1474018999999998 0.8150802999999999 -3.5819303999999996 ] [ 0.07442689999999999 0.46010969999999995 7.417900999999999 ] [ -2.3181758999999995 0.6042309999999999 -4.580207999999999 ] [ -1.0943074999999998 0.33533529999999995 3.9392623999999996 ] [ 0.8169629999999999 0.5554134999999999 -8.585820599999998 ] [ -1.6745581999999999 -0.5423918999999999 4.712648699999999 ] [ -0.19746199999999997 -3.1263698999999994 -10.649666199999999 ] [ -2.5736704999999995 -1.2132555999999999 10.039609999999998 ] [ -0.25763129999999995 -0.8748058999999999 -4.623589899999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.70827931576782e-09 -5.045453531239269e-09 8.13886183517065e-10 ] [ -2.505066613453706e-09 1.5133848060320369e-09 7.813674452474207e-10 ] [ -5.602753690303848e-09 -1.3155267743817835e-08 -3.101711424119424e-10 ] [ 4.708718620670934e-10 6.524371352214717e-09 -1.957089680440036e-09 ] [ -5.493799270485312e-09 -1.876704152835344e-09 -2.83678908237904e-08 ] [ -7.389974035083005e-10 -9.770041070599319e-11 2.897859217093685e-08 ] [ 2.7498423530663242e-09 1.4188614314824339e-08 3.4148469137395923e-09 ] [ 1.4878723861828744e-09 1.0956348726595108e-09 -1.9683033147014018e-09 ] [ -3.835950363024744e-09 1.2652952844873165e-09 -1.184923856037004e-09 ] [ 2.8937460131082826e-09 7.643632241954519e-11 -9.639369306724576e-09 ] [ 4.587980512144654e-09 -1.1799143303554763e-09 8.91517905945004e-09 ] [ 1.3396970027993452e-09 -1.1765326161340924e-09 -6.317799033786838e-11 ] [ 8.400340266192718e-10 -2.63663848016143e-09 -7.974587460533364e-10 ] [ -6.516954395922941e-10 -5.892684214863142e-09 5.376723096873703e-09 ] [ -1.176742341055483e-09 3.114727507094039e-11 1.2131232863190477e-09 ] [ -2.9174990827956496e-09 -7.671481596642033e-09 -3.3453480161452673e-09 ] [ 3.4980328858828524e-09 1.6103828225016842e-09 -5.372188616564157e-09 ] [ 4.907052226411457e-09 2.8071390734161055e-09 8.333761175296195e-09 ] [ -1.8612990642817705e-09 -1.08527535876173e-09 1.527096714318799e-09 ] [ -1.5279841599563714e-09 8.755459192330225e-09 -3.5978084357652026e-09 ] [ -9.161065748340673e-09 3.3987509666214383e-09 5.32748051846304e-08 ] [ 6.0652458481397955e-09 -2.6342847224684207e-09 3.6421464310638654e-10 ] [ 7.841967289654013e-09 1.2352260820298623e-08 6.857790237803663e-10 ] [ 1.0400398561562338e-08 2.9065342665655437e-09 -5.425003247780323e-08 ] [ 8.13372637840569e-09 2.6867572889732275e-10 -1.4388542727186346e-09 ] [ -5.705943799028579e-09 -2.8258757280624183e-09 1.2013431223998995e-09 ] [ -1.3348150103778839e-09 1.8445284405830388e-09 -2.0337950083164296e-10 ] [ -3.438556244004852e-10 -8.610949589085286e-10 -1.514747937912244e-09 ] [ -3.928328823605579e-09 3.862439309532329e-09 4.328594363588926e-09 ] [ -3.3330561170092196e-11 3.4898291006461196e-10 -5.01968684595829e-09 ] [ 4.622462237226275e-10 -2.053468295422979e-09 -2.2316101496981907e-09 ] [ 4.522593280446163e-09 -3.7295732045396604e-09 1.7738122091822005e-09 ] [ -2.1748064190986912e-09 2.460986568593118e-10 1.8637055335860386e-09 ] [ -3.977705183765181e-09 -5.182879591149966e-10 -3.1249046932908713e-09 ] [ -1.1881908544113934e-09 8.507541904773659e-10 3.2864300532595414e-09 ] [ 3.364511330429215e-09 -5.655730141360049e-09 -2.4214659979975664e-09 ] [ 2.444182779838062e-09 1.0687594811478046e-09 7.276601773413877e-09 ] [ -2.7863718201038604e-09 2.0487625424312575e-09 7.371865273459556e-09 ] [ 8.67368441736619e-10 6.100752485614186e-09 -2.2798720357911825e-09 ] [ -2.305971973812033e-09 2.6551123778397668e-09 -8.649378756957756e-09 ] [ -1.0130111042971211e-09 4.092156190961981e-09 7.481574318472707e-09 ] [ 4.560229531102467e-09 -1.0559465541703797e-10 3.5104095401628397e-09 ] [ 2.5667185305476894e-09 -1.3523678167093342e-09 -2.4461608271103987e-09 ] [ -1.5217233343236896e-10 -2.41839750930813e-10 -8.159353033448858e-09 ] [ 3.972942072849963e-09 -4.4108387365243855e-10 3.1849018823572593e-09 ] [ 1.2319679276704924e-09 1.9414431438677185e-09 -5.267270400121994e-09 ] [ 1.6045781365567023e-09 -1.152000728384938e-09 6.736796902539587e-09 ] [ 3.951706182872274e-10 3.6310513578734157e-10 -4.094704292680695e-09 ] [ -1.7689039410639417e-10 -3.294792133547714e-09 1.1057317737852125e-08 ] [ 7.0327344679527365e-09 -6.192060211550519e-10 -3.98163564348371e-09 ] [ -5.727967479257207e-09 -1.2482561359847266e-08 9.51948147333796e-10 ] [ -9.230070694878736e-10 -7.623331061825105e-10 -7.857384714967667e-09 ] [ -2.2572151753567985e-09 -2.3043609852065456e-09 4.121669726519232e-09 ] [ -2.9545369204791542e-09 4.527948235409981e-09 1.4787883651034212e-09 ] [ 1.3366719330966898e-09 -1.1076758709346744e-09 -2.8922556684033354e-10 ] [ -1.8383405139872042e-09 1.30590261149371e-09 -5.738885191494273e-09 ] [ 1.1924504012105458e-10 7.371770104167498e-10 1.1884787655525232e-08 ] [ -3.7141272604819196e-09 9.680847897384538e-10 -7.33830223645987e-09 ] [ -1.7532739069109547e-09 5.372663822153801e-10 6.311394172474761e-09 ] [ 1.3089190294425418e-09 8.898705319081588e-10 -1.3756001149035857e-08 ] [ -2.6829380203130987e-09 -8.690076286508645e-10 7.550495631390474e-09 ] [ -3.1636900250290797e-10 -5.008996803020916e-09 -1.706264634553957e-08 ] [ -4.1234747387150966e-09 -1.94384977338965e-09 1.6085228556472735e-08 ] [ -4.127708490470441e-10 -1.4015935722653405e-09 -7.4078077029783945e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -215.56919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453799192283064e-17 } }