{ "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" [ 10.411 0 0 ] "si-unit" "m" "si-value" [ 1.0411e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29438 9.21066 0 ] "si-unit" "m" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.225117 -0.0675308 10.2123 ] "si-unit" "m" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.032644 -0.348865 0.262117 ] [ 0.0895591 0.0919407 2.92005 ] [ 0.132511 0.0877004 5.1977 ] [ -0.387306 -0.579647 7.71063 ] [ -1.39484 2.2423 0.430563 ] [ -1.46759 1.95149 2.37315 ] [ -1.49513 2.24499 4.89593 ] [ -1.51482 2.26793 7.74871 ] [ -2.60635 4.58616 0.485327 ] [ -2.69256 4.48069 2.67269 ] [ -2.72927 4.56722 5.31696 ] [ -2.89421 4.44106 7.87764 ] [ -3.94579 6.84436 0.0641042 ] [ -4.08301 6.85325 2.63122 ] [ -4.51897 6.91495 5.13935 ] [ -4.09555 6.92809 7.99318 ] [ 2.65588 0.0182102 0.184703 ] [ 2.65332 -0.273709 2.75315 ] [ 2.59953 -0.270718 5.54693 ] [ 2.14279 0.0901647 8.06584 ] [ 1.3739 2.00123 0.0421206 ] [ 1.57539 2.15566 2.62554 ] [ 1.1634 2.17468 5.30039 ] [ 1.01377 2.05654 7.47411 ] [ -0.0124658 4.65353 0.0422212 ] [ -0.2125 4.23955 2.95357 ] [ -0.0815717 4.0382 5.32116 ] [ -0.254481 4.43847 7.97266 ] [ -1.57641 7.03783 -0.081675 ] [ -1.42092 6.46247 2.79682 ] [ -1.49707 6.77968 5.43924 ] [ -1.36691 6.61651 7.63316 ] [ 5.18815 -0.0976661 -0.221188 ] [ 5.00848 -0.0939251 2.4953 ] [ 5.07255 -0.0605492 5.51938 ] [ 4.96358 -0.266651 7.69705 ] [ 3.99473 2.38395 0.117111 ] [ 3.87483 2.26191 2.78385 ] [ 3.90332 2.16788 5.36154 ] [ 3.42601 2.22366 8.16952 ] [ 2.44878 4.51192 0.300057 ] [ 2.35265 4.71794 3.08973 ] [ 2.45121 4.56732 5.75721 ] [ 2.47528 4.47056 7.94989 ] [ 1.35813 6.92705 0.690128 ] [ 1.30729 6.80619 2.84456 ] [ 1.15128 6.72026 5.06169 ] [ 1.06069 6.72297 8.10403 ] [ 7.98813 0.0646273 0.348553 ] [ 7.81184 -0.0381409 2.73794 ] [ 7.91579 -0.345681 5.60963 ] [ 7.67692 -0.122649 8.16693 ] [ 6.65958 2.51772 0.112505 ] [ 6.53716 2.24303 2.45744 ] [ 6.69999 2.26023 5.12355 ] [ 6.34109 2.14616 8.04966 ] [ 5.26606 4.55868 0.309546 ] [ 5.14345 4.38936 2.56679 ] [ 5.15982 4.46608 5.65685 ] [ 5.17008 4.33331 8.20244 ] [ 3.93881 6.94156 0.784897 ] [ 3.73503 7.06085 3.16928 ] [ 3.88909 6.7996 5.18682 ] [ 3.70294 6.72284 8.16498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2644e-12 -3.48865e-11 2.6211699999999998e-11 ] [ 8.95591e-12 9.19407e-12 2.92005e-10 ] [ 1.32511e-11 8.77004e-12 5.197700000000001e-10 ] [ -3.87306e-11 -5.7964700000000005e-11 7.71063e-10 ] [ -1.39484e-10 2.2423000000000004e-10 4.30563e-11 ] [ -1.46759e-10 1.95149e-10 2.3731499999999997e-10 ] [ -1.49513e-10 2.2449900000000002e-10 4.89593e-10 ] [ -1.5148200000000002e-10 2.2679299999999997e-10 7.74871e-10 ] [ -2.60635e-10 4.58616e-10 4.85327e-11 ] [ -2.69256e-10 4.4806900000000003e-10 2.67269e-10 ] [ -2.7292700000000003e-10 4.56722e-10 5.31696e-10 ] [ -2.8942100000000003e-10 4.4410600000000005e-10 7.877640000000001e-10 ] [ -3.9457900000000004e-10 6.84436e-10 6.4104200000000005e-12 ] [ -4.08301e-10 6.85325e-10 2.63122e-10 ] [ -4.5189700000000004e-10 6.91495e-10 5.13935e-10 ] [ -4.0955500000000004e-10 6.92809e-10 7.99318e-10 ] [ 2.65588e-10 1.82102e-12 1.84703e-11 ] [ 2.65332e-10 -2.7370899999999998e-11 2.7531500000000005e-10 ] [ 2.5995300000000004e-10 -2.7071800000000002e-11 5.54693e-10 ] [ 2.1427900000000003e-10 9.016470000000001e-12 8.06584e-10 ] [ 1.3739e-10 2.00123e-10 4.21206e-12 ] [ 1.5753900000000002e-10 2.1556600000000003e-10 2.62554e-10 ] [ 1.1634000000000001e-10 2.17468e-10 5.300390000000001e-10 ] [ 1.0137700000000002e-10 2.0565400000000002e-10 7.47411e-10 ] [ -1.2465800000000001e-12 4.6535300000000003e-10 4.22212e-12 ] [ -2.125e-11 4.2395500000000006e-10 2.9535700000000003e-10 ] [ -8.15717e-12 4.0382e-10 5.32116e-10 ] [ -2.5448100000000002e-11 4.43847e-10 7.97266e-10 ] [ -1.5764100000000002e-10 7.037829999999999e-10 -8.1675e-12 ] [ -1.42092e-10 6.46247e-10 2.79682e-10 ] [ -1.49707e-10 6.77968e-10 5.439240000000001e-10 ] [ -1.36691e-10 6.61651e-10 7.633160000000001e-10 ] [ 5.18815e-10 -9.76661e-12 -2.21188e-11 ] [ 5.00848e-10 -9.39251e-12 2.4953e-10 ] [ 5.07255e-10 -6.05492e-12 5.51938e-10 ] [ 4.96358e-10 -2.6665100000000005e-11 7.69705e-10 ] [ 3.9947300000000004e-10 2.3839500000000003e-10 1.1711100000000001e-11 ] [ 3.87483e-10 2.26191e-10 2.78385e-10 ] [ 3.90332e-10 2.16788e-10 5.36154e-10 ] [ 3.4260100000000005e-10 2.2236600000000002e-10 8.169520000000001e-10 ] [ 2.44878e-10 4.51192e-10 3.00057e-11 ] [ 2.35265e-10 4.71794e-10 3.08973e-10 ] [ 2.4512100000000004e-10 4.56732e-10 5.75721e-10 ] [ 2.47528e-10 4.47056e-10 7.949890000000001e-10 ] [ 1.3581300000000002e-10 6.92705e-10 6.90128e-11 ] [ 1.3072900000000001e-10 6.806190000000001e-10 2.84456e-10 ] [ 1.1512800000000002e-10 6.72026e-10 5.06169e-10 ] [ 1.0606899999999999e-10 6.72297e-10 8.10403e-10 ] [ 7.98813e-10 6.46273e-12 3.4855300000000004e-11 ] [ 7.81184e-10 -3.81409e-12 2.7379400000000003e-10 ] [ 7.915790000000001e-10 -3.4568100000000005e-11 5.60963e-10 ] [ 7.67692e-10 -1.22649e-11 8.166930000000001e-10 ] [ 6.65958e-10 2.51772e-10 1.12505e-11 ] [ 6.537160000000001e-10 2.2430300000000002e-10 2.45744e-10 ] [ 6.69999e-10 2.26023e-10 5.12355e-10 ] [ 6.341090000000001e-10 2.1461600000000002e-10 8.049659999999999e-10 ] [ 5.266060000000001e-10 4.55868e-10 3.09546e-11 ] [ 5.143449999999999e-10 4.38936e-10 2.5667900000000003e-10 ] [ 5.15982e-10 4.46608e-10 5.656850000000001e-10 ] [ 5.170079999999999e-10 4.33331e-10 8.20244e-10 ] [ 3.9388100000000005e-10 6.94156e-10 7.84897e-11 ] [ 3.7350300000000003e-10 7.06085e-10 3.1692800000000005e-10 ] [ 3.88909e-10 6.7996e-10 5.18682e-10 ] [ 3.70294e-10 6.72284e-10 8.16498e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3214407 1.7913537 -0.765549 ] [ 3.2780331 5.906384 -0.1957223 ] [ 2.5582745 5.2992675 -4.9849405 ] [ 0.3197286 3.5825208 4.1455365 ] [ 12.2271414 1.6533681 -9.2018544 ] [ 12.7896459 4.2226799 12.897989 ] [ -8.6161057 -6.0205695 2.8721413 ] [ 1.8349193 -3.0674049 -0.3130522 ] [ 6.0264135 1.6728068 -1.0006771 ] [ -1.0127032 6.355762 3.5513567 ] [ -2.9258619 7.6039768 2.6038787 ] [ 2.0234162 3.513664 -3.7955728 ] [ 3.5458246 -2.3079955 -4.0482897 ] [ 6.5360371 -1.606541 5.0619505 ] [ 12.0516322 -4.9965634 3.9694984 ] [ 2.8730677 -0.3606982 -3.9378229 ] [ 1.2854515 0.8393326 4.7626 ] [ 1.857115 -4.9546815 0.6062041 ] [ 0.532799 -5.6015655 -1.6110379 ] [ 4.9583787 -5.5814236 -6.3870678 ] [ -12.8261647 6.238641 12.1176313 ] [ 2.4805083 2.0737531 -3.6973644 ] [ 7.1164873 1.1302432 1.5180539 ] [ -1.007986 -3.2510185 3.61761 ] [ 0.4951316 -0.5210068 -2.125463 ] [ 5.0908247 0.7633948 -1.0855922 ] [ -1.4886699 6.381775 -6.2080377 ] [ 0.8239108 0.7773144 5.1424644 ] [ 7.4954171 -0.976968 1.9910522 ] [ 5.6799937 2.8211713 3.9168408 ] [ -0.7163848 -3.5756466 -2.6135105 ] [ -0.0720415 1.8472019 -1.6201088 ] [ 0.8165991 -0.9823467 3.4151421 ] [ -0.1385985 1.6276513 0.6907703 ] [ 4.4314942 4.7547899 -0.4929977 ] [ 2.3875248 2.757731 1.1188633 ] [ 0.0840774 -2.8772242 3.2065751 ] [ -0.1936299 1.8318242 4.9991208 ] [ 1.0567975 1.4405393 -4.5168494 ] [ 6.7595975 3.6582063 -5.5168787 ] [ -3.5194162 0.1438533 0.5508015 ] [ 2.2273281 -5.7457971 -5.4360016 ] [ 2.2684604 4.1162876 3.5570021 ] [ 0.855811 0.7974487 -1.493694 ] [ -3.5032356 -2.6973424 -3.1968199 ] [ -6.7922498 0.0631702 0.3489917 ] [ -13.817898 4.937502 7.209354 ] [ 2.9833761 2.4706625 0.4259411 ] [ -4.7812789 -9.8142913 -13.3032369 ] [ -6.2322797 0.3638441 6.0689563 ] [ -8.0071624 1.4961615 4.6046135 ] [ -1.073115 4.2287704 1.3848159 ] [ -2.7847619 -8.2907666 -2.5619263 ] [ -10.4116166 -3.9832803 9.3826446 ] [ -0.7369564 -4.2335285 -3.0070883 ] [ -1.612414 -5.2774285 -1.9434709 ] [ -5.842002 4.2188119 -0.7066293 ] [ -5.8940393 1.8455644 2.9433108 ] [ -2.0946284 -4.3022352 2.8137826 ] [ -1.5067847 7.3181879 -10.1560053 ] [ -6.4406153 -6.2802124 -3.4922568 ] [ -1.9714732 -2.8739499 -13.796992 ] [ -4.8788972 -4.885398 0.6786283 ] [ -4.5308063 -7.4797333 1.0383885 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.7193580161135867e-09 2.870065017723577e-09 -1.2265447098768192e-09 ] [ 5.2519879950285485e-09 9.463070358267187e-09 -3.135816932292038e-10 ] [ 4.09880759348881e-09 8.490362495865265e-09 -7.986755125179064e-09 ] [ 5.122616879211148e-10 5.739831069289713e-09 6.64188166097306e-09 ] [ 1.9590040090295782e-08 2.6489877153965167e-09 -1.4742995987685612e-08 ] [ 2.0491271649290576e-08 6.765479012902082e-09 2.0664856431135572e-08 ] [ -1.380452311488162e-08 -9.646015696801545e-09 4.6016776424941195e-09 ] [ 2.9398648035147013e-09 -4.9145244173073624e-09 -5.015649159300058e-10 ] [ 9.655378816973502e-09 2.680131946075262e-09 -1.603261454589944e-09 ] [ -1.6225293908493467e-09 1.018305328376905e-08 5.6899006768614395e-09 ] [ -4.6877475318694675e-09 1.2182913854065598e-08 4.171873576539098e-09 ] [ 3.2418701297879775e-09 5.629510314146612e-09 -6.081178002704395e-09 ] [ 5.6810372755775115e-09 -3.6978164310116067e-09 -6.486075111565446e-09 ] [ 1.0471885834301432e-08 -2.5739624305566528e-09 8.11013874674687e-09 ] [ 1.930884335332047e-08 -8.005377063824959e-09 6.359837532783007e-09 ] [ 4.6031618989156285e-09 -5.779022232046427e-10 -6.309087787230856e-09 ] [ 2.0595203404722914e-09 1.344759068795278e-09 7.63052637422208e-09 ] [ 2.975426235136992e-09 -7.938274862810277e-09 9.712460364531054e-10 ] [ 8.536381013856193e-10 -8.974697283979863e-09 -2.5811672586027285e-09 ] [ 7.944198430212698e-09 -8.942426402701372e-09 -1.023321070462449e-08 ] [ -2.0549781216870244e-08 9.995404755764334e-09 1.941458556833431e-08 ] [ 3.974212405960353e-09 3.322518734131524e-09 -5.92383080025822e-09 ] [ 1.1401869574280116e-08 1.8108492308581787e-09 2.4321904676942612e-09 ] [ -1.6149716032937089e-09 -5.208705834488285e-09 5.796050165172288e-09 ] [ 7.932882737392974e-10 -8.347449142378214e-10 -3.4053671269754303e-09 ] [ 8.156400314931173e-09 1.223093301000292e-09 -1.739310442562838e-09 ] [ -2.3851121098686743e-09 1.0224730704205921e-08 -9.946372863985004e-09 ] [ 1.3200506213846247e-09 1.2453949586911796e-09 8.239136234976299e-09 ] [ 1.2008982040764537e-08 -1.5652752888697343e-09 3.190017285632406e-09 ] [ 9.10035311243129e-09 4.520014700131943e-09 6.275470757155569e-09 ] [ -1.147774978056484e-09 -5.728817386763009e-09 -4.187305421315318e-09 ] [ -1.154232070273632e-10 2.9595436980773397e-09 -2.595700442512343e-09 ] [ 1.3083359865863213e-09 -1.5738929162600315e-09 5.4716608293298165e-09 ] [ -2.2205927637794883e-10 2.607784859674727e-09 1.1067360250030023e-09 ] [ 7.1000364024508e-09 7.61801321459597e-09 -7.898693890481721e-10 ] [ 3.825236416140196e-09 4.418372134655405e-09 1.7926166211311366e-09 ] [ 1.3470684461764993e-10 -4.609821346039983e-09 5.137499658059422e-09 ] [ -3.1022929886784194e-10 2.9349059066556636e-09 8.009474470314992e-09 ] [ 1.6931762474198882e-09 2.3079983878035976e-09 -7.2367905083545076e-09 ] [ 1.0830069080518129e-08 5.861092607923271e-09 -8.839014072929497e-09 ] [ -5.638726354504777e-09 2.3047839408492863e-10 8.824812860015714e-10 ] [ 3.5685730086708843e-09 -9.20578178148044e-09 -8.709434674151393e-09 ] [ 3.6344742180906165e-09 6.595019757208942e-09 5.698945604756504e-09 ] [ 1.3711603760234689e-09 1.277653663427353e-09 -2.3931616054292352e-09 ] [ -5.6128021754742605e-09 -4.321618931572562e-09 -5.121870104688194e-09 ] [ -1.0882383832193475e-08 1.0120981757126016e-10 5.591463425932474e-10 ] [ -2.213871312419908e-08 7.910750269553242e-09 1.1550658429870963e-08 ] [ 4.779895438473483e-09 3.95843769538728e-09 6.824328722578349e-10 ] [ -7.660453271104342e-09 -1.5724228070580842e-08 -2.131413514214387e-08 ] [ -9.985212829626438e-09 5.829425106360173e-10 9.723539896516872e-09 ] [ -1.2828888396228818e-08 2.3971149762410593e-09 7.3774040975200615e-09 ] [ -1.719319764429792e-09 6.775237069611065e-09 2.2187196590921107e-09 ] [ -4.4616804106745875e-09 -1.3283272415029506e-08 -4.104658422072648e-09 ] [ -1.6681248701253186e-08 -6.381918570753211e-09 1.503265381939537e-08 ] [ -1.1807343146289332e-09 -6.782860386190493e-09 -4.817886570941217e-09 ] [ -2.5833720138506114e-09 -8.455372560643613e-09 -3.1137836391851345e-09 ] [ -9.359919023066841e-09 6.759281793732828e-09 -1.1321449440322696e-09 ] [ -9.443291968536398e-09 2.9569201338607796e-09 4.715703751508144e-09 ] [ -3.3559646517437107e-09 -6.892940654622812e-09 4.5081766977338384e-09 ] [ -2.414135218919142e-09 1.1725029560001448e-08 -1.627171425238089e-08 ] [ -1.0319003257226779e-08 -1.0062009480938259e-08 -5.595212198789821e-09 ] [ -3.1586482695737625e-09 -4.604575339130498e-09 -2.2105218019764632e-08 ] [ -7.816855029126583e-09 -7.82727045890308e-09 1.0872823964732486e-09 ] [ -7.259151927233351e-09 -1.1983853823079234e-08 1.6636817780075807e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 77.13008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.235760109364337e-17 } }