{ "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" [ [ -0.7712486 2.8480451 -0.9327806 ] [ 3.4346137 2.1511081 -0.4217059 ] [ 0.4636252 1.1251994 -2.5319642 ] [ -0.6110684 2.6695185 2.1080178 ] [ 8.4097869 1.9736706 -8.4851044 ] [ 8.6954639 2.6011163 6.8304301 ] [ -4.4844584 -2.3313214 2.1152791 ] [ -0.4436588 -1.6022296 -0.3800357 ] [ 5.5687196 2.4285636 -0.1235195 ] [ -1.0105783 4.0714299 4.1428052 ] [ -1.8743635 2.4838267 1.4559998 ] [ 2.0551573 -0.079385 -2.5407899 ] [ 1.6039534 -0.4326688 -2.7146566 ] [ 5.0504214 -1.1875906 2.3813254 ] [ 9.8161054 -3.8210141 2.0250105 ] [ 0.7814217 -0.6066074 -3.5078982 ] [ 1.8997745 0.4862401 4.2771495 ] [ 2.1227139 -1.5659743 1.9092457 ] [ 2.5404476 -1.6203958 -0.3622797 ] [ 2.1999703 -3.1130564 -2.3034985 ] [ -6.3835152 5.4363777 4.033039 ] [ 1.8525701 2.0571124 -3.5966473 ] [ 5.3613383 1.1685183 -1.1829663 ] [ -0.9507564 0.0587102 2.8036553 ] [ 1.4517622 0.6671817 0.0566582 ] [ 3.6504338 2.3731207 -1.267206 ] [ -0.9827783 5.8446969 -2.6130172 ] [ 0.0958967 0.3883646 3.4713538 ] [ 6.981815 -0.6406676 1.339785 ] [ 2.8527762 3.405756 1.8086197 ] [ 0.7712912 -0.3650599 -2.4903329 ] [ 0.2863244 1.4925574 -1.1483194 ] [ 0.4372116 -1.8201861 1.1231984 ] [ -0.1433758 -0.2410144 -0.4439944 ] [ 3.0546912 1.7197852 -3.0348552 ] [ 2.2341121 0.7263604 -0.500705 ] [ -1.4947015 -1.524132 3.2909968 ] [ 0.1712349 -0.1433976 4.1873514 ] [ 2.5822092 0.7313565 -2.0456219 ] [ 2.822974 0.3644694 -3.7473866 ] [ -3.0126009 0.5571326 1.2848313 ] [ 1.403847 -4.959883 -1.3334655 ] [ 2.1226614 1.3019273 1.3115375 ] [ -0.337834 1.4573327 0.5298373 ] [ -3.9699673 -2.3985404 -3.2079799 ] [ -6.0593167 -0.0115728 0.129332 ] [ -6.0134152 2.5033 4.1651891 ] [ 1.6523935 0.9979794 0.8190019 ] [ -3.1464324 -6.8511504 -7.0951014 ] [ -5.6287983 0.3186654 4.6032072 ] [ -6.5084857 1.6136808 3.6415353 ] [ -0.7975841 1.0217683 0.1701251 ] [ -1.5079997 -5.0982379 -3.4185288 ] [ -8.7241478 -3.4519455 5.7630111 ] [ -3.7147206 -1.9661113 0.4286715 ] [ -0.0158402 -2.6487064 -3.8494907 ] [ -4.8214033 2.5738378 0.4191855 ] [ -4.0737347 0.8487499 3.5451151 ] [ -0.6492222 -3.2872448 0.0635407 ] [ -1.3139025 3.9152414 -6.3209777 ] [ -4.6390453 -3.6227428 -1.5243024 ] [ -0.5521514 -3.6089379 -6.3184383 ] [ -5.9975013 -3.9949992 2.1154661 ] [ -3.7931108 -3.3879278 1.094063 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.235676475744731e-09 4.563071274203998e-09 -1.4944792696557965e-09 ] [ 5.502857771619385e-09 3.4464551066335085e-09 -6.756473338334228e-10 ] [ 7.428094562537243e-10 1.8027681724181877e-09 -4.056653845942576e-09 ] [ -9.790395041896628e-10 4.2770401294930854e-09 3.37741683539025e-09 ] [ 1.3473963957090109e-08 3.1621688924803084e-09 -1.3594635894727213e-08 ] [ 1.393166896759039e-08 4.167447723841799e-09 1.0943555416228606e-08 ] [ -7.184894405430176e-09 -3.735188642650726e-09 3.389050720486865e-09 ] [ -7.108197569721831e-10 -2.5670548062737357e-09 -6.088843136093625e-10 ] [ 8.922072350910727e-09 3.890987822045883e-09 -1.9790005511290563e-10 ] [ -1.6191249257478085e-09 6.523149799006083e-09 6.637505635968668e-09 ] [ -3.003061378580861e-09 3.979529068858815e-09 2.332768839449476e-09 ] [ 3.2927249781264517e-09 -1.27188791042208e-10 -4.07079417614477e-09 ] [ 2.5698166383326707e-09 -6.932118359095911e-10 -4.349359338020417e-09 ] [ 8.091667092268006e-09 -1.9027298944018448e-09 3.8153038823972085e-09 ] [ 1.572713457918863e-08 -6.121939458767154e-09 3.2444244799745187e-09 ] [ 1.2519755787257913e-09 -9.71892194284274e-10 -5.620272484186403e-09 ] [ 3.0437742886920095e-09 7.790425203154541e-10 6.8527489325664105e-09 ] [ 3.400962583227189e-09 -2.5089674122336454e-09 3.0589488239029307e-09 ] [ 4.0702457510874695e-09 -2.596160267202513e-09 -5.804360655304378e-10 ] [ 3.524740981114362e-09 -4.987666183311813e-09 -3.690611442747869e-09 ] [ -1.0227518811961436e-08 8.710037252778478e-09 6.461640796574611e-09 ] [ 2.9681445026131184e-09 3.2958573936377778e-09 -5.762464217323444e-09 ] [ 8.589810880459617e-09 1.8721727012369607e-09 -1.895320949054279e-09 ] [ -1.5232796761559732e-09 9.406410984249216e-11 4.491950974442011e-09 ] [ 2.3259794558011737e-09 1.0689429215655994e-09 9.077644341661057e-11 ] [ 5.848639690138103e-09 3.802158503876531e-09 -2.030287826937485e-09 ] [ -1.5745844156895687e-09 9.364236728842236e-09 -4.1865150675882775e-09 ] [ 1.5364345075187136e-10 6.222286824663437e-10 5.56172190088524e-09 ] [ 1.1186100763750753e-08 -1.026462650424046e-09 2.146572203898528e-09 ] [ 4.5706513320146654e-09 5.456622639349324e-09 2.8977281992583097e-09 ] [ 1.235744728468777e-09 -5.848904369715859e-10 -3.989953150389064e-09 ] [ 4.587422596445875e-10 2.391340571482034e-09 -1.8398104958910837e-09 ] [ 7.004902038625613e-10 -2.9162596149251307e-09 1.7995622169999666e-09 ] [ -2.2971335474849664e-10 -3.8614763695613953e-10 -7.113574474461235e-10 ] [ 4.894154824403498e-09 2.7553996402378523e-09 -4.862374048953308e-09 ] [ 3.5794421748663918e-09 1.1637576511549365e-09 -8.02217844917664e-10 ] [ -2.394775798374691e-09 -2.441928657413146e-09 5.272758132087613e-09 ] [ 2.7434855344502594e-10 -2.2974828219883006e-10 6.708876516154149e-09 ] [ 4.137155210254671e-09 1.1717622857701151e-09 -3.2774475831764758e-09 ] [ 4.522902943926259e-09 5.839443516770035e-10 -6.0039751996192015e-09 ] [ -4.826718729781039e-09 8.926248264055181e-10 2.0585266705320713e-09 ] [ 2.249210842580218e-09 -7.946608584503366e-09 -2.1364472487433823e-09 ] [ 3.4008784689545975e-09 2.085917482041268e-09 2.10131471980248e-09 ] [ -5.412697365113473e-10 2.3349043806673403e-09 8.488929348877958e-10 ] [ -6.3605887934005e-09 -3.84288535292428e-09 -5.139750395776322e-09 ] [ -9.708095554763008e-09 -1.854166959719424e-11 2.072127067213056e-10 ] [ -9.634553244603357e-09 4.01072873484864e-09 6.6733685972309935e-09 ] [ 2.647426234061885e-09 1.5989392627200115e-09 1.3121856965707795e-09 ] [ -5.041140430207635e-09 -1.0976752996464569e-08 -1.136760558528535e-08 ] [ -9.018329039458784e-09 5.105582537378803e-10 7.37515095653823e-09 ] [ -1.0427743625351122e-08 2.5854016511938407e-09 5.834382721477915e-09 ] [ -1.2778705981418093e-09 1.6370532821345606e-09 2.725704578312621e-10 ] [ -2.416081863513414e-09 -8.168277570656489e-09 -5.477086920891479e-09 ] [ -1.3977625641563755e-08 -5.5306263763757664e-09 9.23336164983089e-09 ] [ -5.951638498124149e-09 -3.150057558750695e-09 6.868074553032672e-10 ] [ -2.537879810879616e-11 -4.243695469443333e-09 -6.167564001527027e-09 ] [ -7.724739646707969e-09 4.123742748891307e-09 6.716092078783584e-10 ] [ -6.5268424956817025e-09 1.3598472466863378e-09 5.679900531265054e-09 ] [ -1.0401686305443417e-09 -5.266746765406372e-09 1.0180342400926657e-10 ] [ -2.105103867510672e-09 6.272908235868262e-09 -1.0127322691538156e-08 ] [ -7.432569922492123e-09 -5.8042738173315306e-09 -2.44220166830933e-09 ] [ -8.84644064221989e-10 -5.7821559292990485e-09 -1.0123254124227297e-08 ] [ -9.609056366077608e-09 -6.400694318354703e-09 3.3893503275149547e-09 ] [ -6.0772334438639845e-09 -5.428058714118379e-09 1.7528821602823105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -136.97983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.194658811471585e-17 } }