{ "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" [ 10.5568 0 0 ] "si-unit" "m" "si-value" [ 1.05568e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.18164 9.41279 0 ] "si-unit" "m" "si-value" [ -5.18164e-10 9.41279e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.19777 -0.416057 10.1428 ] "si-unit" "m" "si-value" [ -1.9777e-11 -4.16057e-11 1.01428e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.170347 0.0395851 -0.319205 ] [ 0.227855 0.133127 2.4408 ] [ -0.444311 -0.236145 5.06773 ] [ -0.0192223 -0.305099 7.8376 ] [ -1.39298 1.939 0.0124242 ] [ -1.34227 2.19592 2.30102 ] [ -1.2658 2.0044 5.70179 ] [ -1.31478 1.98721 7.90881 ] [ -2.61745 4.56317 -0.303211 ] [ -2.67584 4.41075 2.74274 ] [ -2.94095 4.35732 5.52142 ] [ -2.59045 4.328 8.31475 ] [ -3.95908 6.82218 0.672691 ] [ -3.91652 6.71616 3.02153 ] [ -4.18768 6.72907 5.09251 ] [ -4.22384 6.66421 7.98011 ] [ 2.57977 -0.000876811 0.0103562 ] [ 2.19289 -0.301014 2.60846 ] [ 2.60916 -0.207874 5.20426 ] [ 2.84408 0.105556 7.67567 ] [ 1.1004 2.23439 0.284386 ] [ 1.31555 2.18302 2.63662 ] [ 1.26221 2.03515 5.1832 ] [ 1.32006 1.98522 7.88742 ] [ -0.0119844 4.54741 0.627071 ] [ 0.118844 4.59403 2.71885 ] [ -0.272434 4.24709 5.10605 ] [ 0.112545 4.318 7.88314 ] [ -1.6059 6.85287 -0.0668236 ] [ -1.18657 6.85496 2.73779 ] [ -1.48508 6.8235 5.63707 ] [ -1.34908 6.60262 8.08029 ] [ 5.50329 0.232111 -0.171836 ] [ 5.2765 0.0562673 2.51722 ] [ 5.27633 -0.164602 5.19235 ] [ 5.31964 -0.331343 7.50022 ] [ 3.73541 2.14247 -0.167954 ] [ 3.95236 2.19739 2.83858 ] [ 4.0036 2.11433 5.1109 ] [ 4.03554 1.61059 8.09438 ] [ 2.73928 4.64855 -0.295542 ] [ 2.61557 4.46237 2.94374 ] [ 2.75766 4.5643 5.1222 ] [ 2.71127 4.11747 8.3385 ] [ 1.30632 6.85992 0.284588 ] [ 1.2728 6.83667 2.73615 ] [ 1.40177 6.6926 5.45244 ] [ 1.46257 6.68829 7.72435 ] [ 7.94087 0.00288998 0.0313752 ] [ 7.90591 -0.0869976 2.67416 ] [ 7.90543 -0.141742 5.66366 ] [ 7.91265 -0.286775 7.80284 ] [ 6.64658 2.3077 0.341812 ] [ 6.62054 2.32307 2.37553 ] [ 6.55163 2.12148 5.03885 ] [ 6.66232 2.28584 8.21931 ] [ 5.27943 4.44959 0.194916 ] [ 5.19807 4.41159 2.89471 ] [ 5.32788 4.20402 5.49705 ] [ 5.43548 4.11274 8.00614 ] [ 4.29324 6.68044 0.401838 ] [ 3.94211 6.78559 2.87363 ] [ 3.92348 6.68764 5.26752 ] [ 3.92782 6.78657 7.98603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.70347e-11 3.95851e-12 -3.19205e-11 ] [ 2.27855e-11 1.33127e-11 2.4408e-10 ] [ -4.4431100000000004e-11 -2.36145e-11 5.06773e-10 ] [ -1.9222300000000004e-12 -3.05099e-11 7.8376e-10 ] [ -1.39298e-10 1.9390000000000002e-10 1.24242e-12 ] [ -1.34227e-10 2.19592e-10 2.30102e-10 ] [ -1.2658000000000002e-10 2.0044e-10 5.70179e-10 ] [ -1.31478e-10 1.98721e-10 7.90881e-10 ] [ -2.61745e-10 4.5631700000000006e-10 -3.03211e-11 ] [ -2.67584e-10 4.4107500000000005e-10 2.74274e-10 ] [ -2.94095e-10 4.3573199999999997e-10 5.52142e-10 ] [ -2.59045e-10 4.3280000000000005e-10 8.314750000000001e-10 ] [ -3.95908e-10 6.82218e-10 6.72691e-11 ] [ -3.91652e-10 6.716160000000001e-10 3.02153e-10 ] [ -4.1876800000000003e-10 6.729070000000001e-10 5.09251e-10 ] [ -4.2238400000000003e-10 6.66421e-10 7.98011e-10 ] [ 2.57977e-10 -8.76811e-14 1.03562e-12 ] [ 2.19289e-10 -3.01014e-11 2.60846e-10 ] [ 2.6091600000000003e-10 -2.0787400000000002e-11 5.20426e-10 ] [ 2.84408e-10 1.05556e-11 7.67567e-10 ] [ 1.1004e-10 2.23439e-10 2.8438600000000004e-11 ] [ 1.31555e-10 2.18302e-10 2.63662e-10 ] [ 1.2622100000000001e-10 2.03515e-10 5.1832e-10 ] [ 1.32006e-10 1.98522e-10 7.88742e-10 ] [ -1.1984399999999999e-12 4.5474100000000003e-10 6.27071e-11 ] [ 1.18844e-11 4.59403e-10 2.7188500000000004e-10 ] [ -2.7243400000000002e-11 4.24709e-10 5.10605e-10 ] [ 1.1254500000000001e-11 4.318e-10 7.883140000000001e-10 ] [ -1.6059e-10 6.852870000000001e-10 -6.68236e-12 ] [ -1.18657e-10 6.85496e-10 2.73779e-10 ] [ -1.48508e-10 6.8235e-10 5.63707e-10 ] [ -1.34908e-10 6.60262e-10 8.08029e-10 ] [ 5.50329e-10 2.32111e-11 -1.71836e-11 ] [ 5.2765e-10 5.62673e-12 2.51722e-10 ] [ 5.27633e-10 -1.64602e-11 5.19235e-10 ] [ 5.31964e-10 -3.31343e-11 7.50022e-10 ] [ 3.73541e-10 2.1424699999999998e-10 -1.67954e-11 ] [ 3.9523600000000004e-10 2.19739e-10 2.83858e-10 ] [ 4.0035999999999995e-10 2.11433e-10 5.1109e-10 ] [ 4.0355400000000005e-10 1.61059e-10 8.094379999999999e-10 ] [ 2.73928e-10 4.6485500000000005e-10 -2.9554200000000005e-11 ] [ 2.61557e-10 4.4623700000000003e-10 2.94374e-10 ] [ 2.75766e-10 4.5643000000000005e-10 5.1222e-10 ] [ 2.71127e-10 4.11747e-10 8.3385e-10 ] [ 1.30632e-10 6.85992e-10 2.8458800000000003e-11 ] [ 1.2728e-10 6.836670000000001e-10 2.73615e-10 ] [ 1.40177e-10 6.6926e-10 5.45244e-10 ] [ 1.46257e-10 6.68829e-10 7.72435e-10 ] [ 7.940870000000001e-10 2.88998e-13 3.13752e-12 ] [ 7.905910000000001e-10 -8.69976e-12 2.67416e-10 ] [ 7.905430000000001e-10 -1.41742e-11 5.66366e-10 ] [ 7.912650000000001e-10 -2.8677500000000003e-11 7.802840000000001e-10 ] [ 6.64658e-10 2.3077000000000002e-10 3.41812e-11 ] [ 6.62054e-10 2.32307e-10 2.37553e-10 ] [ 6.551630000000001e-10 2.1214800000000002e-10 5.038850000000001e-10 ] [ 6.66232e-10 2.2858399999999998e-10 8.219310000000001e-10 ] [ 5.27943e-10 4.4495899999999997e-10 1.94916e-11 ] [ 5.198070000000001e-10 4.4115900000000005e-10 2.89471e-10 ] [ 5.327880000000001e-10 4.20402e-10 5.49705e-10 ] [ 5.43548e-10 4.11274e-10 8.00614e-10 ] [ 4.29324e-10 6.68044e-10 4.01838e-11 ] [ 3.9421100000000004e-10 6.785590000000001e-10 2.87363e-10 ] [ 3.9234800000000003e-10 6.68764e-10 5.267520000000001e-10 ] [ 3.9278200000000003e-10 6.786570000000001e-10 7.98603e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.37127699999999997 -2.4674973999999996 7.7128106999999995 ] [ -6.149251099999999 -1.9079860999999998 2.1631837999999997 ] [ 2.4674259999999997 -1.0237702999999998 -0.38098439999999995 ] [ 1.3734165999999999 -0.15804859999999998 -5.355828699999999 ] [ 1.5707270999999998 1.9979629999999997 1.5847323999999998 ] [ -0.4302600999999999 1.0567088999999998 1.1502384999999997 ] [ -1.5128933999999998 1.3186929999999997 -2.0861070999999995 ] [ 0.34897179999999994 0.6848338999999999 -0.7998812999999999 ] [ -0.36410609999999993 -3.1647929999999995 29.465553099999997 ] [ 0.23923479999999997 0.2968452999999999 1.7923069999999999 ] [ 2.2466177999999997 0.18720569999999997 -0.8519827999999999 ] [ 5.219563999999999 3.3171696999999996 -27.296132699999998 ] [ -0.019821099999999998 1.2073914999999997 -1.2539308999999998 ] [ 0.5171612999999999 -0.6628440999999999 -4.533262599999999 ] [ 0.8367956999999999 1.0094065999999997 5.320162899999999 ] [ 0.19381659999999998 0.7569204999999999 -1.7187644999999998 ] [ 0.8877738999999999 -3.3034382999999994 1.6231854999999997 ] [ 5.8675147999999995 -1.2614476999999997 0.7613780999999998 ] [ -0.5618403999999999 0.020981199999999995 0.26429629999999993 ] [ -5.973551499999999 -6.6871108999999995 -2.9123883999999998 ] [ 1.5009995999999999 2.5116565999999994 -1.4843648999999999 ] [ 1.1879903999999997 1.9166184999999998 0.7964578999999999 ] [ 1.1420595999999998 0.5785067999999999 0.6361248999999999 ] [ -2.9069185999999996 0.35525719999999994 -2.5670159999999997 ] [ -0.12795629999999997 -1.4227203999999998 -5.548038199999999 ] [ -0.39300719999999995 -1.7120235999999998 3.7488113999999997 ] [ 0.4729979999999999 0.6677846999999999 1.2981812999999998 ] [ -0.6506123999999999 -0.49336069999999993 -0.8238520999999999 ] [ 0.7483195999999999 2.6403051999999994 6.205133299999999 ] [ -0.8263528999999998 0.8787655999999999 -0.16075899999999999 ] [ -0.04352109999999999 -0.28970239999999997 -0.9458944999999999 ] [ 1.4984831999999997 2.5600531999999996 -5.589559199999999 ] [ -0.2961192999999999 -2.7891944999999994 3.2811129999999995 ] [ -0.7758532999999999 -1.2191155999999999 0.35420339999999995 ] [ 0.7626850999999999 -0.42215909999999995 -0.24753709999999998 ] [ 1.3969027999999997 -1.2046115999999998 1.9139264999999999 ] [ 0.5737586999999998 1.9200955999999998 9.759682999999999 ] [ -1.1885040999999998 -0.14263699999999999 -1.9377654999999998 ] [ -0.9820976999999999 -0.44998699999999997 1.1550048999999998 ] [ 5.355294899999999 5.971219099999999 -8.003091799999998 ] [ -3.1292909999999994 0.9920151999999999 28.322612399999997 ] [ -0.32315199999999994 -0.44477769999999994 -0.7941392999999999 ] [ -1.1389421999999998 -2.1440750999999993 2.0235649999999996 ] [ 2.7582937999999997 -0.34486239999999996 -28.523408699999997 ] [ -0.11197859999999998 1.4539510999999998 -0.7279565999999998 ] [ 1.3534717999999997 1.2135243999999998 0.6746596999999999 ] [ -1.1421371999999999 0.43193079999999995 -1.7137702999999997 ] [ -0.8156717999999998 0.41549109999999995 1.3832738999999998 ] [ -0.13301769999999996 -2.9833789999999993 0.33715029999999996 ] [ 0.7682728999999999 -1.0175004999999997 0.010018299999999999 ] [ -2.0582337999999996 -0.14428039999999998 -4.447222799999999 ] [ -1.9798606999999997 -0.24894099999999997 1.5373425999999997 ] [ -0.8735147999999999 -0.15076969999999998 -5.074643099999999 ] [ -0.33500759999999996 0.7461423999999999 7.2940705999999995 ] [ 1.8179028999999998 -1.3841233999999998 1.3623995999999998 ] [ -1.0433477999999998 -5.128319099999999 -4.534090099999999 ] [ -0.7046786999999999 0.07272469999999999 3.2036190999999996 ] [ 0.7918196999999999 0.5778965999999999 -2.7192121999999994 ] [ -1.4360175999999998 0.9822582999999999 0.27460749999999995 ] [ -3.8019889999999994 1.7197516999999998 -3.4193841999999997 ] [ -1.3869645999999998 2.3437851999999997 -0.12756559999999997 ] [ 0.15267259999999996 1.3709804999999997 -1.8130918999999999 ] [ 0.6804824999999999 1.1446335999999997 1.3750675999999997 ] [ -0.7436799999999999 -0.5459908999999998 -0.39324819999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.948513292407615e-10 -3.9533666461647855e-09 1.2357284984196082e-08 ] [ -9.852186347848682e-09 -3.0569307222313706e-09 3.4658025108533025e-09 ] [ 3.95325225075406e-09 -1.640260839729402e-09 -6.104042985695154e-10 ] [ 2.2004559671386252e-09 -2.5322177187017084e-10 -8.580983528149657e-09 ] [ 2.5165822372769835e-09 3.20108960782343e-09 2.5390212015042736e-09 ] [ -6.8935267308307e-10 1.693034294571285e-09 1.8428852330440605e-09 ] [ -2.4239224352426227e-09 2.112779094612614e-09 -3.3423120241048872e-09 ] [ 5.591144592784933e-10 1.097224863711285e-09 -1.2815511182751109e-09 ] [ -5.833622809106668e-10 -5.0705573542714936e-09 4.7209020295760965e-08 ] [ 3.832964034417638e-10 4.755985996543621e-10 2.8715923726961853e-09 ] [ 3.59947851503313e-09 2.999365958204985e-10 -1.3650269234837221e-09 ] [ 8.36266341156933e-09 5.314691740566149e-09 -4.3733225650194376e-08 ] [ -3.175690301853888e-11 1.934454433452643e-09 -2.0090187720787027e-09 ] [ 8.28583744042535e-10 -1.0619933202552171e-09 -7.263087353667021e-09 ] [ 1.3406945069259705e-09 1.6172476554012169e-09 8.523840617227526e-09 ] [ 3.1052842524294525e-10 1.2127203289042462e-09 -2.7537642985610014e-09 ] [ 1.422370587136437e-09 -5.2926916125152955e-09 2.600629859321558e-09 ] [ 9.400795034757987e-09 -2.021062013301932e-09 1.2198621914091243e-09 ] [ -9.001675535009202e-10 3.361558811632895e-11 4.2344935282394293e-10 ] [ -9.57068455644477e-09 -1.0713932744676846e-08 -4.666160605169119e-09 ] [ 2.4048664669501516e-09 4.024117483998016e-09 -2.3782147395161298e-09 ] [ 1.90337044461484e-09 3.0707613516927646e-09 1.2760662268314643e-09 ] [ 1.8297811906801995e-09 9.268700699338212e-10 1.0191844426887377e-09 ] [ -4.657397019488666e-09 5.691847802108697e-10 -4.1128130204195326e-09 ] [ -2.0500859234407098e-10 -2.279449362815224e-09 -8.888937095345313e-09 ] [ -6.296669476460697e-10 -2.7429641861778507e-09 6.0062579808685165e-09 ] [ 7.578263372851583e-10 1.0699090340679416e-09 2.0799157284197506e-09 ] [ -1.0423959764825777e-09 -7.904509791615225e-10 -1.3199565736169836e-09 ] [ 1.1989401680064076e-09 4.230235263216667e-09 9.941719502207552e-09 ] [ -1.32396329691028e-09 1.4079376994832844e-09 -2.575643113831872e-10 ] [ -6.972848893149887e-11 -4.641544122696499e-10 -1.5154900536433053e-09 ] [ 2.4008347497015703e-09 4.101657385044226e-09 -8.95546107081755e-09 ] [ -4.744354194276614e-10 -4.468782218763945e-09 5.2569225388029495e-09 ] [ -1.2430540184305285e-09 -1.9532385123725645e-09 5.674964064878706e-10 ] [ 1.22195623625251e-09 -6.763734402779692e-10 -3.9659815440063166e-10 ] [ 2.238085007690058e-09 -1.930000542664481e-09 3.066448292229571e-09 ] [ 9.192627751206007e-10 3.0763322800209484e-09 1.5636735929019206e-08 ] [ -1.904193482744945e-09 -2.285296666610496e-10 -3.104642580692822e-09 ] [ -1.573493974281452e-09 -7.209586510639296e-10 1.8505218476894417e-09 ] [ 8.580128286269473e-09 9.566947639694416e-09 -1.2822366576076186e-08 ] [ -5.013676879879852e-09 1.5893835609182361e-09 4.537782742726017e-08 ] [ -5.177465793647615e-10 -7.126124323931961e-10 -1.2723514201184773e-09 ] [ -1.8247865652825175e-09 -3.435186998459421e-09 3.2421085336691515e-09 ] [ 4.4192738396575906e-09 -5.525304746729779e-10 -4.569953856466332e-08 ] [ -1.7940949494991486e-10 2.3294864602064427e-09 -1.166315045477057e-09 ] [ 2.168500874872093e-09 1.9442804224503472e-09 1.0809239983359416e-09 ] [ -1.8299055195859736e-09 6.920294295634406e-10 -2.745762708081402e-09 ] [ -1.3068502882058533e-09 6.656901265704748e-10 2.216249102742837e-09 ] [ -2.131178490925881e-10 -4.779900084785682e-09 5.401743283557061e-10 ] [ 1.2309088787742162e-09 -1.63021551275231e-09 1.605108604016064e-11 ] [ -3.2976540745003425e-09 -2.311626837196723e-10 -7.125236397648712e-09 ] [ -3.1720865259807224e-09 -3.988474501585728e-10 2.4630943718798857e-09 ] [ -1.3995249904827877e-09 -2.4155968846502974e-10 -8.130474533724036e-09 ] [ -5.36741344510318e-10 1.1954519090676017e-09 1.1686389385784628e-08 ] [ 2.91260152526452e-09 -2.2176101517822063e-09 2.1828047873072715e-09 ] [ -1.671627452523114e-09 -8.216472966022096e-09 -7.264413154820733e-09 ] [ -1.1290197383157368e-09 1.1651781409469374e-10 5.132763623968337e-09 ] [ 1.2686350112288696e-09 9.258924217598091e-10 -4.356658213834133e-09 ] [ -2.300753825777326e-09 1.5737512838467526e-09 4.3996971639633594e-10 ] [ -6.09145788833877e-09 2.7553459673210553e-09 -5.478457422772911e-09 ] [ -2.2221622559972232e-09 3.7551578516170515e-09 -2.0438262193832445e-10 ] [ 2.4460847035675003e-10 2.196552904672694e-09 -2.9048934535418515e-09 ] [ 1.0902531523635358e-09 1.8339051933021385e-09 2.203101160739566e-09 ] [ -1.1915067093565438e-09 -8.747738551495505e-10 -6.300530722116825e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -225.47714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.612542022328485e-17 } }