{ "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" [ [ 0.2263982 0.8426847 -0.5065696 ] [ -0.5666325 -0.2875058 -0.9617268 ] [ -0.6084113 -0.4399089 1.2979054 ] [ 0.7359538 2.0495035 -0.7463319 ] [ 0.7709365 0.6653289 -2.7180407 ] [ 0.1345018 0.5677744 2.9002245 ] [ 1.2086055 -1.0277995 -0.1092238 ] [ -0.2741178 -0.1320916 -0.3945998 ] [ -0.2326268 0.3558692 -1.2679812 ] [ -0.7087974 -0.9457436 1.5977296 ] [ 0.3727811 0.1497362 0.0005053 ] [ 0.6077642 0.4693666 -0.2700108 ] [ -0.4593997 -0.3196911 0.5105999 ] [ -0.3634613 -0.2477114 -0.1440192 ] [ 3.1347992 0.0606067 -0.2857738 ] [ 0.6524423 -0.6073932 -0.5407282 ] [ 0.0543274 -0.5673981 0.8169639 ] [ -0.7169825 -0.2632178 -0.0137778 ] [ -0.6537679 -0.2122239 0.0886215 ] [ 0.104568 -0.7817931 -0.5333924 ] [ -0.6435454 0.3689269 0.3897933 ] [ -0.510188 -0.1129161 -0.4307793 ] [ 1.1862293 -0.4132912 -1.6574726 ] [ -0.4050833 0.5516851 1.4564354 ] [ -0.5721029 0.0400992 -0.1577908 ] [ -0.2673292 -0.611273 0.211535 ] [ -0.1422845 1.3247167 0.5474298 ] [ 0.6107531 0.00464 -0.8743413 ] [ 0.4421788 -0.369397 -0.1912197 ] [ 0.6723072 0.5680312 0.0572208 ] [ -0.1693602 0.162799 -1.5989422 ] [ -0.1358083 -0.3435817 1.7093378 ] [ 0.0441956 0.3244947 1.3158218 ] [ 0.9478015 0.2635124 -0.5137231 ] [ 0.5504447 0.4431003 -1.143095 ] [ 0.0862353 0.1019085 1.0932771 ] [ 0.6013094 -0.3173153 1.8633481 ] [ 0.8047172 -0.1913096 0.33997 ] [ -0.648471 0.0348657 -0.5676245 ] [ 0.2049811 0.2941398 -1.5814622 ] [ 0.6769477 -0.064521 -0.0793635 ] [ 0.5692165 -0.2558218 -0.4614702 ] [ -0.0713406 0.0855675 -1.1851336 ] [ -0.178691 -0.1047333 1.5609307 ] [ -0.0154944 0.4375776 -2.0743472 ] [ -0.5948554 0.7440447 0.4273564 ] [ -0.7851427 -0.0660907 1.0739128 ] [ 0.2015429 -0.0481573 0.5611949 ] [ -0.2227119 0.0671714 -0.0479185 ] [ -0.3573791 -0.4682997 0.4424035 ] [ 0.1911779 0.5829808 0.5195977 ] [ -0.3005498 0.1439579 -0.3478202 ] [ -0.4386394 -0.1595185 0.0945633 ] [ -0.2544107 -0.394555 1.0676443 ] [ -1.0631304 -0.3096777 -0.5221512 ] [ -0.3635969 -0.498094 -0.6169353 ] [ 0.0118256 0.9791805 -0.1832873 ] [ -0.264945 0.027466 0.1430972 ] [ 0.1927482 0.1612464 1.1612091 ] [ -0.6546536 0.6865293 -0.6467751 ] [ 0.1063353 -1.0634192 -0.4224297 ] [ 0.45528 0.480871 -2.874319 ] [ -2.4913868 -0.7054951 2.8099697 ] [ -0.4240077 -1.7104375 0.6119788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.627299060196588e-10 1.3501297361692998e-09 -8.116139766147263e-10 ] [ -9.078453515650049e-10 -4.6063507489947714e-10 -1.5408562072515912e-09 ] [ -9.747823687215643e-10 -7.048117606686426e-10 2.079473705022424e-09 ] [ 1.179127982063509e-09 3.283666619001219e-09 -1.1957555313888246e-09 ] [ 1.235176446597741e-09 1.0659744175049226e-09 -4.354781299801004e-09 ] [ 2.1549564119094122e-10 9.096748770633696e-10 4.646671927254333e-09 ] [ 1.936399491823887e-09 -1.6467163433368829e-09 -1.7499582023668918e-10 ] [ -4.3918513412348525e-10 -2.1163407506767442e-10 -6.322185793410732e-10 ] [ -3.727092234021912e-10 5.701653170002728e-10 -2.0315298509912807e-09 ] [ -1.1356186325199517e-09 -1.5152482976750424e-09 2.5598450325701664e-09 ] [ 5.972611680168173e-10 2.3990384090395084e-10 8.095798531602e-13 ] [ 9.737456002217027e-10 7.520081993000245e-10 -4.326049946876472e-10 ] [ -7.360394650066099e-10 -5.122016105177575e-10 8.180712291027366e-10 ] [ -5.823292022232641e-10 -3.968774170554276e-10 -2.3074419708737282e-10 ] [ 5.022502030521892e-09 9.71026386038478e-11 -4.578601049693892e-10 ] [ 1.0453278080932183e-09 -9.731511926904887e-10 -8.663420873848788e-10 ] [ 8.704209086597159e-11 -9.090719779959954e-10 1.3089204714015125e-09 ] [ -1.148732608486905e-09 -4.217214088128852e-10 -2.20744692279252e-11 ] [ -1.0474516534392485e-09 -3.400201737563526e-10 1.41987296570031e-10 ] [ 1.67536406264112e-10 -1.2525706374424255e-09 -8.545888400331816e-10 ] [ -1.0310734027981838e-09 5.910860588340546e-10 6.245177173497522e-10 ] [ -8.17411292547192e-10 -1.8091153702240742e-10 -6.901845288708761e-10 ] [ 1.9005488670261763e-09 -6.621655036778208e-10 -2.6555638712152284e-09 ] [ -6.490149980836122e-10 8.838969765459535e-10 2.3334667668104434e-09 ] [ -9.166098986236385e-10 6.42460012820928e-11 -2.528087328201672e-10 ] [ -4.283085978259128e-10 -9.79367317595082e-10 3.3891643427319e-10 ] [ -2.27964901280373e-10 2.122430143409588e-09 8.770792343152931e-10 ] [ 9.785343459630654e-10 7.43409958176e-12 -1.4008492010011842e-09 ] [ 7.084485414101592e-10 -5.918392420696979e-10 -3.063677353004898e-10 ] [ 1.0771548867099648e-09 9.100863160229807e-10 9.16778287387872e-11 ] [ -2.7134495516956677e-10 2.60832753838566e-10 -2.561787831956555e-09 ] [ -2.1758888496326219e-10 -5.504785716099978e-10 2.738661082772965e-09 ] [ 7.080915764561041e-11 5.198978261968398e-10 2.1081789424678213e-09 ] [ 1.518545416970151e-09 4.2219341004926156e-10 -8.230751471660454e-10 ] [ 8.819096366491398e-10 7.099249471783902e-10 -1.83144009944223e-09 ] [ 1.381641826859802e-10 1.63275417505989e-10 1.7516230241072812e-09 ] [ 9.634038704845596e-10 -5.083951592707003e-10 2.9854127868282956e-09 ] [ 1.2892990948179048e-09 -3.065117709798864e-10 5.4469199026098e-10 ] [ -1.038965084026614e-09 5.58610098680538e-11 -9.09434710785933e-10 ] [ 3.284159288316174e-10 4.712639146894332e-10 -2.533781784394235e-09 ] [ 1.0845897873800419e-09 -1.03374038602314e-10 -1.27154345292459e-10 ] [ 9.11985375987261e-10 -4.098717104278212e-10 -7.393567717273068e-10 ] [ -1.143002423755404e-10 1.37094249129795e-10 -1.898793362088302e-09 ] [ -2.86294544906094e-10 -1.678012460617122e-10 2.5008866948332634e-09 ] [ -2.48247656378496e-11 7.010766062817985e-10 -3.323470614643325e-09 ] [ -9.530634224887236e-10 1.1920910329915398e-09 6.847004384703577e-10 ] [ -1.2579372882956717e-09 -1.058889752647038e-10 1.7205979951135151e-09 ] [ 3.229073251285986e-10 -7.71565008165282e-11 8.991333558999666e-10 ] [ -3.568238022937446e-10 1.076204475530676e-10 -7.6773901036329e-11 ] [ -5.725844434999494e-10 -7.502988370492098e-10 7.08808550499819e-10 ] [ 3.0630076431718863e-10 9.34038215830627e-10 8.324872940201418e-10 ] [ -4.815338669133731e-10 2.306459836597086e-10 -5.572693972732069e-10 ] [ -7.027777974317796e-10 -2.55576813390729e-10 1.5150710969393221e-10 ] [ -4.076108789795838e-10 -6.3214680182787e-10 1.7105547508832861e-09 ] [ -1.7033226857750735e-09 -4.961583750108618e-10 -8.365784520550609e-10 ] [ -5.825464573748346e-10 -7.980345683355959e-10 -9.8843932234978e-10 ] [ 1.89467000030304e-11 1.568820117568437e-09 -2.936586293689482e-10 ] [ -4.2448868829513e-10 4.4005383429444e-11 2.292669902308248e-10 ] [ 3.088166622855588e-10 2.5834521439661763e-10 1.8604620872081695e-09 ] [ -1.0488707012839824e-09 1.0999412030163761e-09 -1.0362479526730135e-09 ] [ 1.7036793302938018e-10 -1.7037853943869728e-09 -6.768069948476298e-10 ] [ 7.2943897792752e-10 7.70440280168214e-10 -4.605166740462246e-09 ] [ -3.991641717216031e-09 -1.1303277646214936e-09 4.5020677955879895e-09 ] [ -6.793352295760818e-10 -2.740422996417375e-09 9.804981338633593e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -243.70648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.904608278103883e-17 } }