{ "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" [ 10.5774 0 0 ] "si-unit" "m" "si-value" [ 1.05774e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.5435 9.41396 0 ] "si-unit" "m" "si-value" [ -5.543500000000001e-10 9.41396e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.064938 0.0467405 10.4512 ] "si-unit" "m" "si-value" [ 6.4938e-12 4.67405e-12 1.04512e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.236369 0.26893 0.312575 ] [ -0.468457 -0.0551533 2.71797 ] [ 0.155919 0.092588 5.15124 ] [ -0.018441 0.0929563 7.82273 ] [ -1.55477 1.97581 -0.267213 ] [ -1.04358 2.17509 2.21266 ] [ -1.40284 2.08288 5.10665 ] [ -1.53193 2.47262 7.67232 ] [ -2.52557 4.36371 -0.0687127 ] [ -2.63168 4.78588 2.11088 ] [ -2.8285 4.66387 4.81651 ] [ -2.43747 4.62598 7.37597 ] [ -4.03263 6.85233 0.0129409 ] [ -3.84994 6.83623 2.55746 ] [ -3.98778 6.95546 5.08975 ] [ -4.04437 7.15345 7.98474 ] [ 2.7925 -0.150709 -0.236912 ] [ 2.52744 0.0585484 2.75097 ] [ 2.97937 0.0253826 4.99024 ] [ 2.79178 -0.125765 7.78546 ] [ 1.17257 2.07204 0.331708 ] [ 1.3094 2.34381 2.76563 ] [ 1.18538 2.29758 5.23355 ] [ 1.59625 2.2364 7.51626 ] [ 0.209736 4.7052 -0.38166 ] [ 0.0212178 4.79108 2.50518 ] [ 0.14278 4.68614 5.40679 ] [ 0.0689267 4.99276 7.69231 ] [ -1.30113 6.84139 -0.125401 ] [ -1.32129 6.9098 2.46812 ] [ -1.40757 6.90228 4.65006 ] [ -1.51326 6.89042 7.78065 ] [ 5.65863 -0.119012 -0.254989 ] [ 5.10197 -0.169957 2.56638 ] [ 5.09243 0.203313 5.33098 ] [ 5.4779 0.0404503 7.67487 ] [ 4.26427 2.43752 0.163886 ] [ 3.82857 2.25448 2.19664 ] [ 4.05658 2.33431 4.68086 ] [ 4.02669 2.41042 7.33784 ] [ 2.70197 4.51023 -0.181109 ] [ 2.69021 4.95442 2.77602 ] [ 2.76302 4.59982 5.27878 ] [ 2.51118 4.74862 7.54636 ] [ 1.32887 6.836 -0.11303 ] [ 1.20887 6.93781 2.26344 ] [ 1.34794 6.78344 4.99463 ] [ 1.1866 6.82578 7.72723 ] [ 7.89632 -0.0170417 0.0255252 ] [ 7.53531 0.00656563 2.93328 ] [ 7.75351 0.543148 5.15254 ] [ 7.57049 -0.0404042 7.95999 ] [ 6.60423 2.27111 -0.0474532 ] [ 6.37919 2.09166 2.92245 ] [ 6.73055 2.30287 5.30103 ] [ 6.58072 2.36604 7.68857 ] [ 5.17021 4.6802 0.219605 ] [ 5.33653 4.41662 2.44533 ] [ 5.28123 4.72183 5.09151 ] [ 4.95328 4.74786 7.55719 ] [ 4.06766 6.86832 -0.154912 ] [ 3.74255 7.04003 2.54371 ] [ 3.95151 7.01529 5.08037 ] [ 3.49217 7.04854 7.79727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.36369e-11 2.6893e-11 3.12575e-11 ] [ -4.6845700000000004e-11 -5.5153300000000005e-12 2.71797e-10 ] [ 1.55919e-11 9.258800000000001e-12 5.15124e-10 ] [ -1.8440999999999998e-12 9.29563e-12 7.822730000000001e-10 ] [ -1.5547700000000002e-10 1.97581e-10 -2.67213e-11 ] [ -1.04358e-10 2.17509e-10 2.2126600000000002e-10 ] [ -1.4028400000000001e-10 2.08288e-10 5.10665e-10 ] [ -1.5319300000000002e-10 2.47262e-10 7.672320000000001e-10 ] [ -2.5255700000000003e-10 4.36371e-10 -6.87127e-12 ] [ -2.6316799999999996e-10 4.78588e-10 2.11088e-10 ] [ -2.8285e-10 4.663870000000001e-10 4.81651e-10 ] [ -2.43747e-10 4.62598e-10 7.37597e-10 ] [ -4.0326300000000004e-10 6.85233e-10 1.29409e-12 ] [ -3.84994e-10 6.83623e-10 2.55746e-10 ] [ -3.9877800000000003e-10 6.955460000000001e-10 5.089750000000001e-10 ] [ -4.04437e-10 7.153450000000001e-10 7.984740000000001e-10 ] [ 2.7925e-10 -1.5070900000000002e-11 -2.3691200000000002e-11 ] [ 2.52744e-10 5.85484e-12 2.7509700000000004e-10 ] [ 2.97937e-10 2.53826e-12 4.99024e-10 ] [ 2.7917800000000005e-10 -1.2576499999999999e-11 7.78546e-10 ] [ 1.17257e-10 2.07204e-10 3.31708e-11 ] [ 1.3094e-10 2.34381e-10 2.76563e-10 ] [ 1.1853800000000002e-10 2.29758e-10 5.23355e-10 ] [ 1.59625e-10 2.2364000000000002e-10 7.51626e-10 ] [ 2.09736e-11 4.705199999999999e-10 -3.8166e-11 ] [ 2.12178e-12 4.79108e-10 2.50518e-10 ] [ 1.4278e-11 4.68614e-10 5.40679e-10 ] [ 6.89267e-12 4.99276e-10 7.69231e-10 ] [ -1.30113e-10 6.84139e-10 -1.2540100000000002e-11 ] [ -1.32129e-10 6.9098e-10 2.46812e-10 ] [ -1.4075700000000001e-10 6.902280000000001e-10 4.65006e-10 ] [ -1.51326e-10 6.89042e-10 7.780649999999999e-10 ] [ 5.65863e-10 -1.1901200000000002e-11 -2.5498900000000004e-11 ] [ 5.10197e-10 -1.69957e-11 2.5663800000000004e-10 ] [ 5.09243e-10 2.03313e-11 5.33098e-10 ] [ 5.4779e-10 4.04503e-12 7.674870000000001e-10 ] [ 4.2642699999999997e-10 2.4375200000000003e-10 1.63886e-11 ] [ 3.8285700000000004e-10 2.2544800000000002e-10 2.19664e-10 ] [ 4.0565800000000006e-10 2.33431e-10 4.680860000000001e-10 ] [ 4.0266900000000006e-10 2.41042e-10 7.337840000000001e-10 ] [ 2.7019700000000003e-10 4.5102300000000004e-10 -1.81109e-11 ] [ 2.6902100000000003e-10 4.95442e-10 2.77602e-10 ] [ 2.7630200000000003e-10 4.5998200000000007e-10 5.27878e-10 ] [ 2.51118e-10 4.74862e-10 7.546360000000001e-10 ] [ 1.32887e-10 6.836000000000001e-10 -1.1303e-11 ] [ 1.2088699999999998e-10 6.93781e-10 2.2634400000000003e-10 ] [ 1.34794e-10 6.78344e-10 4.99463e-10 ] [ 1.1866e-10 6.82578e-10 7.72723e-10 ] [ 7.89632e-10 -1.70417e-12 2.55252e-12 ] [ 7.53531e-10 6.565630000000001e-13 2.93328e-10 ] [ 7.75351e-10 5.4314799999999996e-11 5.15254e-10 ] [ 7.570490000000001e-10 -4.040420000000001e-12 7.95999e-10 ] [ 6.60423e-10 2.2711100000000004e-10 -4.74532e-12 ] [ 6.379190000000001e-10 2.09166e-10 2.92245e-10 ] [ 6.73055e-10 2.3028700000000001e-10 5.30103e-10 ] [ 6.580720000000001e-10 2.36604e-10 7.68857e-10 ] [ 5.17021e-10 4.6802e-10 2.19605e-11 ] [ 5.33653e-10 4.41662e-10 2.44533e-10 ] [ 5.28123e-10 4.72183e-10 5.091510000000001e-10 ] [ 4.953280000000001e-10 4.74786e-10 7.55719e-10 ] [ 4.06766e-10 6.86832e-10 -1.54912e-11 ] [ 3.74255e-10 7.04003e-10 2.54371e-10 ] [ 3.95151e-10 7.01529e-10 5.08037e-10 ] [ 3.4921700000000004e-10 7.04854e-10 7.79727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1119708 -7.4121977 -2.2512321 ] [ 0.2791778 -2.7714924 0.4097424 ] [ 0.4672642 -2.3711434 0.6659699 ] [ -0.8989854 -0.3492683 0.1779652 ] [ 0.9208275 1.7749603 -2.6076184 ] [ -5.0982235 3.4749754 3.4395792 ] [ 4.1751337 3.2265886 -0.2568107 ] [ 3.1169698 -1.2069815 0.5475015 ] [ 0.5398719 0.8572507 -1.2127771 ] [ -0.1784993 -4.3606894 1.1480032 ] [ 2.4537413 -1.3195716 0.5834692 ] [ -2.7339498 1.1574069 -1.0430259 ] [ 0.382294 2.2037628 -0.9158945 ] [ -3.4076754 3.3628076 -0.8229898 ] [ -0.3282708 2.2060223 1.2727645 ] [ -1.8966659 -1.1294176 -0.4454598 ] [ 1.0849768 0.4489166 -0.3753815 ] [ -2.4129074 -1.5578007 -0.7842718 ] [ -3.8575269 -2.0424615 1.3742463 ] [ -0.6539888 0.5403642 0.865124 ] [ 4.8313945 4.3649489 -2.1388284 ] [ 1.5439179 1.88009 0.8200522 ] [ 0.3920988 0.5721233 0.1992655 ] [ -1.6796715 -0.4859057 1.2346547 ] [ -1.7795172 -4.2442293 0.944317 ] [ -0.1330686 -2.8294479 0.4364107 ] [ -3.3477978 -1.2740311 -2.4231451 ] [ -1.4055227 -4.256437 0.9353974 ] [ -1.2381841 1.4855261 -0.7721379 ] [ -0.1612044 1.8690236 -0.6467796 ] [ 1.8146643 0.3885387 2.4191881 ] [ -1.7611294 1.5818182 0.4562271 ] [ -5.5346069 -0.8117789 2.7968091 ] [ -1.295549 -0.6659512 -2.4566976 ] [ 1.6018263 -5.2817526 1.0062908 ] [ -3.8622278 -1.4929197 -0.6320779 ] [ -2.994928 -3.3871819 -3.7702697 ] [ -1.44611 0.2178196 -0.0697629 ] [ -2.5117402 1.970279 0.5811854 ] [ 0.4325597 -0.5869032 0.8162793 ] [ -0.6942269 -2.038783 -0.8810615 ] [ 1.4673056 -3.4642048 -0.1510146 ] [ -1.0149711 -1.0659859 -2.206905 ] [ 2.3458911 -2.991859 2.2681108 ] [ 0.5998739 0.9164871 1.0970331 ] [ 1.204725 1.7126702 -1.7094794 ] [ -1.1347075 4.1758174 0.5714257 ] [ 0.141332 5.1515969 -1.1924502 ] [ 2.7462289 -3.1664142 1.2842121 ] [ 1.4988292 -1.0540879 -0.2428871 ] [ 2.4778762 -10.0647877 2.2270516 ] [ 6.3057763 -0.7035051 -2.0447085 ] [ -1.8725188 1.7190017 -0.2038952 ] [ 2.724829 4.5920545 -4.5793551 ] [ -2.7378228 4.6772192 1.6659211 ] [ -1.0780362 2.5465718 1.8264875 ] [ 1.0386161 1.1548123 -0.5146128 ] [ 0.5113699 1.7869988 1.5181698 ] [ 0.024112 0.8845269 0.7633017 ] [ 4.6128345 1.0814429 1.6388576 ] [ -0.6820044 3.3206397 -0.3312317 ] [ 3.1263808 0.7638652 -0.6823935 ] [ -0.2176765 3.3524562 0.3112523 ] [ 4.0752452 2.9678066 0.0628893 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7815736187722726e-09 -1.1875649863687533e-08 -3.606871438614488e-09 ] [ 4.472921442063782e-10 -4.4404203280048824e-09 6.56479693830482e-10 ] [ 7.486397769768154e-10 -3.7989905200442225e-09 1.067001403936514e-09 ] [ -1.4403333903205363e-09 -5.595895046465606e-10 2.8513168275599614e-10 ] [ 1.4753282922897122e-09 2.8437998955081545e-09 -4.1778652364479025e-09 ] [ -8.168254499313148e-09 5.567524343735129e-09 5.5108133796299675e-09 ] [ 6.689301602854201e-09 5.169564819859803e-09 -4.1145609951128256e-10 ] [ 4.9939361412996525e-09 -1.9337975410381153e-09 8.771941031529312e-10 ] [ 8.649701364068754e-10 1.3734670297044347e-09 -1.9430831158616238e-09 ] [ -2.8598740528916547e-10 -6.98659460725038e-09 1.8393038876435866e-09 ] [ 3.931326944351399e-09 -2.114186766991649e-09 9.348207111968794e-10 ] [ -4.380270452000836e-09 1.8543702759326037e-09 -1.6711117118688787e-09 ] [ 6.125025090721152e-10 3.530817235948746e-09 -1.4674247550193056e-09 ] [ -5.459697857155289e-09 5.3878117169685585e-09 -1.3185750167168678e-09 ] [ -5.259478010513126e-10 3.5344373540234438e-09 2.0391935256842018e-09 ] [ -3.0387937624485905e-09 -1.8095264738400462e-09 -7.137052770662439e-10 ] [ 1.7383244630703975e-09 7.192436812090253e-10 -6.014274631808352e-10 ] [ -3.865903824435314e-09 -2.4958718614058745e-09 -1.2565419423127333e-09 ] [ -6.1804394132871e-09 -3.2723840641840993e-09 2.2017852930809033e-09 ] [ -1.0478055656250472e-09 8.657588879572953e-10 1.3860814468929792e-09 ] [ 7.740747313761706e-09 6.993419078566677e-09 -3.426780858383071e-09 ] [ 2.4736291638146326e-09 3.0122362429998724e-09 1.3138684626756057e-09 ] [ 6.282115304037351e-10 9.166425754749447e-10 3.192585254320224e-10 ] [ -2.6911304079240674e-09 -7.785067524534586e-10 1.978134895100838e-09 ] [ -2.8511008541514777e-09 -6.800004957774349e-09 1.5129626200239936e-09 ] [ -2.131993998825869e-10 -4.5332752751516566e-09 6.992070206069626e-10 ] [ -5.363763366325674e-09 -2.041222842592107e-09 -3.882306428026078e-09 ] [ -2.251895609943692e-09 -6.81956384930809e-09 1.498671845437106e-09 ] [ -1.9837896172662895e-09 2.380075187008203e-09 -1.2371012914136084e-09 ] [ -2.5827792085009155e-10 2.994505915643451e-09 -1.0362551539303758e-09 ] [ 2.9074127160603978e-09 6.225076214160251e-10 3.875966615137573e-09 ] [ -2.8216403508835314e-09 2.534352138395939e-09 7.309563933953837e-10 ] [ -8.867417780498364e-09 -1.300613174838741e-09 4.480982152860689e-09 ] [ -2.0756983189008194e-09 -1.066971443233705e-09 -3.93606345909547e-09 ] [ 2.566408648442567e-09 -8.462300532569614e-09 1.6122555934861287e-09 ] [ -6.187971085363818e-09 -2.39192104007175e-09 -1.0127004339043604e-09 ] [ -4.7984036225793025e-09 -5.426863650576924e-09 -6.04063796745063e-09 ] [ -2.316923633105088e-09 3.489854706720077e-10 -1.1177248737920832e-10 ] [ -4.024251425963517e-09 3.1567349502532033e-09 9.311616602302963e-10 ] [ 6.930370384402618e-10 -9.403225857127066e-10 1.3078236105029896e-09 ] [ -1.1122741087104596e-09 -3.2664904574844866e-09 -1.4116161367869793e-09 ] [ 2.3508827278889164e-09 -5.55026794022314e-09 -2.419520615194637e-10 ] [ -1.6261629672076588e-09 -1.7078976870824468e-09 -3.535851595326624e-09 ] [ 3.758531875362795e-09 -4.793486542530067e-09 3.633914097143985e-09 ] [ 9.611039380081171e-10 1.4683742048847917e-09 1.7576407850637486e-09 ] [ 1.93018222949328e-09 2.7440001535808604e-09 -2.7388879284192114e-09 ] [ -1.818001827946416e-09 6.690397011009842e-09 9.155248970642747e-10 ] [ 2.2643882617090562e-10 8.253768112965756e-09 -1.910515831908284e-09 ] [ 4.399943738945302e-09 -5.073154803009136e-09 2.0575346027684716e-09 ] [ 2.4013891028123676e-09 -1.6888349896481686e-09 -3.891480331139117e-10 ] [ 3.969995316876745e-09 -1.6125567546255405e-08 3.568130006835233e-09 ] [ 1.0102967363854728e-08 -1.127139423833566e-09 -3.275984155051037e-09 ] [ -3.000105843368471e-09 2.7541443348554553e-09 -3.266761225333402e-10 ] [ 4.3656573194778435e-09 7.3572823613394335e-09 -7.336935679561246e-09 ] [ -4.386475682053195e-09 7.49373125259688e-09 2.669099838517419e-09 ] [ -1.727204396016073e-09 4.0800578011485736e-09 2.9263555706834403e-09 ] [ 1.664046433406475e-09 1.8502132684722758e-09 -8.245005969244262e-10 ] [ 8.19304898360834e-10 2.8630876987576553e-09 2.4323761599646116e-09 ] [ 3.8631682680729605e-11 1.4171683196486996e-09 1.2229441383568954e-09 ] [ 7.390575591519658e-09 1.7326625311101525e-09 2.625739331540398e-09 ] [ -1.0926915049627314e-09 5.320251293440326e-09 -5.306916858078394e-10 ] [ 5.009014225478001e-09 1.2238469648827162e-09 -1.093314911885885e-09 ] [ -3.487561991975712e-10 5.37122694589601e-09 4.986811582302278e-10 ] [ 6.529262583467421e-09 4.754950349575937e-09 1.0075976615847743e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -107.10856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.71606830719554e-17 } }