{ "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" [ [ -2.8244544999999994 -5.924439099999999 1.3774931999999998 ] [ -3.6597695999999997 0.39524099999999995 0.6168404999999999 ] [ -2.1475544999999996 -6.333450599999999 2.7850681999999995 ] [ -0.8659620999999998 3.2356287999999997 -5.3884650999999995 ] [ -4.0749094999999995 -1.5627849999999999 -9.216112599999999 ] [ -1.7086594999999998 0.32991709999999996 13.083575899999998 ] [ 2.2267464999999995 8.115062799999999 1.9142272999999999 ] [ 0.7581354999999999 0.8646637999999999 -2.9554868999999995 ] [ -3.0909665999999993 1.6096575999999998 1.0470819999999998 ] [ 1.6202139999999998 0.35481779999999996 -4.624790599999999 ] [ 2.8800558999999994 -0.7148778999999998 4.3204047999999995 ] [ 0.24186619999999998 -2.4230116999999995 -1.7533457999999997 ] [ -0.12509769999999998 -1.7067884999999998 1.2335360999999998 ] [ 0.07295619999999998 -4.906444199999999 1.1016920999999997 ] [ -1.0101759999999997 0.051062199999999995 1.6096136999999997 ] [ -2.4816536999999994 -3.5449552999999994 -2.9447591999999996 ] [ 4.132496799999999 1.1560410999999997 -1.0572805999999997 ] [ 5.407071799999999 3.1420236999999998 3.7540795999999994 ] [ 0.07849119999999998 -1.2401097999999997 0.7606456999999999 ] [ -1.2130832999999999 5.472405099999999 -3.6311118999999996 ] [ 1.1215105999999997 3.8693673999999993 14.216814999999999 ] [ 3.8055463999999994 1.1863438999999998 1.2791704999999998 ] [ 1.8401773999999997 8.600703699999999 2.7159000999999994 ] [ 3.4943788999999996 0.8450175999999999 -19.098805199999997 ] [ 5.883152199999999 1.6913903999999997 -0.6909477999999999 ] [ -0.9869163999999999 -1.3779708999999998 2.6314926999999995 ] [ 1.0599669999999999 -1.3042895999999997 -0.9036538999999999 ] [ 0.4642976999999999 -0.5437387999999999 -2.5909075999999995 ] [ -1.3018787999999997 3.9654928999999997 2.4148670999999995 ] [ -1.4462916999999997 -0.18429699999999996 -1.4461068999999998 ] [ 0.9630734999999999 -2.0649353999999995 -0.48934019999999995 ] [ 3.6965923999999997 -2.4905931999999997 0.06665829999999999 ] [ -1.0013815999999998 -0.9791535999999998 2.6985132999999997 ] [ -4.349690999999999 -0.7687571999999999 -3.0826410999999996 ] [ 0.16468539999999998 1.4507974999999997 4.438290399999999 ] [ 2.7907518999999996 -2.5297768999999994 -4.938212299999999 ] [ -1.8118078999999998 -1.7234429999999998 5.7261771999999995 ] [ -1.9924445999999998 -0.19750569999999998 2.5772921999999996 ] [ 1.1658860999999998 3.6935690999999995 0.7275453999999999 ] [ -1.2658733999999998 2.8634965999999995 -8.587896899999999 ] [ -3.0436728999999993 1.5889888999999997 6.756106199999999 ] [ 1.7018977999999998 -0.22728279999999998 0.13248509999999997 ] [ -0.5852350999999999 -0.5565463999999999 0.7206772999999999 ] [ -0.4869280999999999 -0.11069209999999999 -8.051111499999998 ] [ 2.0140323999999996 -0.33433349999999995 4.603414299999999 ] [ 3.2225326999999995 0.6529750999999999 -5.015059099999999 ] [ 1.7468555999999997 -2.5020411999999994 6.611177099999999 ] [ 0.22624839999999996 -0.024232699999999996 -5.283790099999999 ] [ -0.9747681999999999 -1.8761169999999998 5.927297399999999 ] [ 4.6240670999999995 -3.8713541999999994 -2.8030298999999994 ] [ -3.0419967999999997 -5.486732299999999 3.7669600999999995 ] [ 0.033313699999999995 -0.35891439999999997 -7.063652299999999 ] [ -0.36400769999999993 -0.8506306999999999 3.7053285999999996 ] [ -0.7791052999999999 3.8591116999999997 0.33406879999999994 ] [ -0.8765332999999998 -0.5649998999999999 3.2269335999999997 ] [ 0.6856942999999999 2.0786284999999998 -6.229997199999999 ] [ 0.06634659999999999 1.0951670999999998 7.954863199999999 ] [ -2.1830174999999996 0.36638639999999995 -4.6100579999999995 ] [ -3.2383937999999994 -0.23652639999999997 4.527167499999999 ] [ 0.7275115999999999 -1.2415056999999998 -9.432511999999997 ] [ -1.5681152999999999 1.1732627999999998 7.841302799999999 ] [ -2.1741485999999997 -1.3948760999999998 -8.894982099999998 ] [ -1.2492328999999998 -1.0744338999999998 9.019911499999997 ] [ -0.9928259999999999 -0.47467809999999994 -7.440617799999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.525274966413353e-09 -9.491997817373393e-09 2.206987400350978e-09 ] [ -5.863597290634567e-09 6.332458897816128e-10 9.882874278625823e-10 ] [ -3.440761611793833e-09 -1.0147306480311732e-08 4.462171157373538e-09 ] [ -1.3874242311188716e-09 5.184048816947159e-09 -8.633272805216733e-09 ] [ -6.528724732775817e-09 -2.503857590336928e-09 -1.4765840142380301e-08 ] [ -2.7375743038078174e-09 5.285854644221356e-10 2.0962199423442315e-08 ] [ 3.5676411827482267e-09 1.3001763894483784e-08 3.0669302269571076e-09 ] [ 1.2146669734985183e-09 1.3853441252120868e-09 -4.735212014260667e-09 ] [ -4.9522744221936645e-09 2.578955774213038e-09 1.6776103004605054e-09 ] [ 2.5958689914928512e-09 5.684807838036902e-10 -7.4097313754156035e-09 ] [ 4.614358229577102e-09 -1.1453606581066e-09 6.9220515629521e-09 ] [ 3.875123710017369e-10 -3.882092697664863e-09 -2.8091696489378724e-09 ] [ -2.0042861025585214e-10 -2.7345766313503008e-09 1.9763427003328106e-09 ] [ 1.1688871798240894e-10 -7.860990188499758e-09 1.7651053259400553e-09 ] [ -1.6184803700932604e-09 8.181066304661376e-11 2.5788854386593846e-09 ] [ -3.976047539061816e-09 -5.679644503441049e-09 -4.718024344125711e-09 ] [ 6.620989758490812e-09 1.8521820231039144e-09 -1.693950258945396e-09 ] [ 8.663084024946971e-09 5.034076914139513e-09 6.014698567742215e-09 ] [ 1.2575676557853695e-10 -1.9868749287849635e-09 1.2186887572520505e-09 ] [ -1.9435737023429127e-09 8.767759510766684e-09 -5.8176825936886675e-09 ] [ 1.79685806329938e-09 6.199409985565681e-09 2.277784861523875e-08 ] [ 6.0971574714496044e-09 1.900732460808693e-09 2.049457069117046e-09 ] [ 2.9482892084045294e-09 1.3779846390568056e-08 4.351351644648381e-09 ] [ 5.59861217779682e-09 1.353867442884526e-09 -3.059965917665346e-08 ] [ 9.425848911448085e-09 2.70990615552556e-09 -1.107020411353194e-09 ] [ -1.581214382764101e-09 -2.2077527601227344e-09 4.216116081745868e-09 ] [ 1.6982543462195134e-09 -2.089702303872583e-09 -1.447813151874741e-09 ] [ 7.43886920031212e-10 -8.711655931818468e-10 -4.151091583373037e-09 ] [ -2.0858397764751586e-09 6.353420014328392e-09 3.869043609959095e-09 ] [ -2.317214748597087e-09 -2.9527634468357756e-10 -2.316918666357563e-09 ] [ 1.5430138458120286e-09 -3.308391221342296e-09 -7.840094280575961e-10 ] [ 5.922593919906962e-09 -3.990370196963458e-09 1.0679836984227263e-10 ] [ -1.6043901880192969e-09 -1.5687770060921547e-09 4.3234949201778566e-09 ] [ -6.968973227904172e-09 -1.2316848129116697e-09 -4.938935500737195e-09 ] [ 2.638550976670963e-10 2.3244338360150877e-09 7.110925115201078e-09 ] [ 4.471277448633179e-09 -4.053149405019899e-09 -7.911888295606995e-09 ] [ -2.9028362587607442e-09 -2.7612600818814144e-09 9.174347236398005e-09 ] [ -3.1922481563592076e-09 -3.1643901501473855e-10 4.129277307810197e-09 ] [ 1.8679554519356908e-09 5.917750059329296e-09 1.1656562304505841e-09 ] [ -2.0281527663726066e-09 4.587827306260289e-09 -1.3759327635020793e-08 ] [ -4.8765015617425356e-09 2.5458408662907086e-09 1.0824475401281927e-08 ] [ 2.726740866150954e-09 -3.6414718846996223e-10 2.1226452982435002e-10 ] [ -9.3764999489155e-10 -8.916856304704049e-10 1.1546523212012676e-09 ] [ -7.801448178305644e-10 -1.7734829472725567e-10 -1.2899302616754016e-08 ] [ 3.2268356248137134e-09 -5.356613172502368e-10 7.375482767316396e-09 ] [ 5.163066551703499e-09 1.046181439184542e-09 -8.035010441950288e-09 ] [ 2.798771202233556e-09 -4.0087119149183766e-09 1.0592273385588342e-08 ] [ 3.6248989697340665e-10 -3.8825065398860156e-11 -8.465564967434493e-09 ] [ -1.5617508207392983e-09 -3.0058707952854336e-09 9.496577318808625e-09 ] [ 7.408572200630455e-09 -6.202593190075887e-09 -4.490948973183361e-09 ] [ -4.873816153508413e-09 -8.790714215648211e-09 6.035335403706429e-09 ] [ 5.3374431292344955e-11 -5.750442605484595e-10 -1.1317218572520147e-08 ] [ -5.832046267311801e-10 -1.3628606204747385e-09 5.936590855301595e-09 ] [ -1.24826429680137e-09 6.182978542795743e-09 5.35237221098711e-10 ] [ -1.4043611606126725e-09 -9.052296305343378e-10 5.1701175707939785e-09 ] [ 1.0986033764758213e-09 3.3303299860285725e-09 -9.98155586148946e-09 ] [ 1.0629897138956927e-10 1.7546511234893354e-09 1.2745095840702274e-08 ] [ -3.4975796012972633e-09 5.87015724259077e-10 -7.386127148132006e-09 ] [ -5.18847883530367e-09 -3.7895706828198907e-10 7.253321926945583e-09 ] [ 1.1656020768808011e-09 -1.9891114071299383e-09 -1.5112550201815446e-08 ] [ -2.512397672378778e-09 1.8797742282143462e-09 1.2563152022773578e-08 ] [ -3.4833700570650503e-09 -2.2348378763326825e-09 -1.4251332363054486e-08 ] [ -2.001491746314184e-09 -1.7214328751749648e-09 1.4451491326985056e-08 ] [ -1.5906826057223806e-09 -7.605181542257645e-10 -1.192118388346833e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -211.7613 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.392790040502151e-17 } }