{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.0411e-09 0.0 0.0 ] "source-value" [ 10.411 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] "source-value" [ -5.29438 9.21066 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] "source-value" [ -0.225117 -0.0675308 10.2123 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.97118044692315e-09 3.064385329612629e-09 -1.309589048921449e-09 ] [ 5.607578438819805e-09 1.0103775982395246e-08 -3.3481309693739714e-10 ] [ 4.376320926412902e-09 9.06521000912469e-09 -8.527505436029946e-09 ] [ 5.46944806319883e-10 6.1284515056423945e-09 7.091576269022327e-09 ] [ 2.0916401204736753e-08 2.828339852423407e-09 -1.5741183585323444e-08 ] [ 2.1878651339899388e-08 7.223541789441788e-09 2.2063988728128604e-08 ] [ -1.4739170470568128e-08 -1.0299107748385008e-08 4.913238189916183e-09 ] [ 3.1389108955644654e-09 -5.2472667009623754e-09 -5.355238504961721e-10 ] [ 1.0309104849845813e-08 2.8615927077527866e-09 -1.711811644349399e-09 ] [ -1.7323842330311194e-09 1.0872505932673259e-08 6.075140360326572e-09 ] [ -5.005135676314368e-09 1.3007768692240881e-08 4.454334110432896e-09 ] [ 3.461363840743039e-09 6.010661242875462e-09 -6.492909516376793e-09 ] [ 6.065676943898154e-09 -3.948180400443257e-09 -6.925220668308042e-09 ] [ 1.1180894170386139e-08 -2.748234866607297e-09 8.659242806498605e-09 ] [ 2.0616165642758813e-08 -8.547388287676412e-09 6.790435957906622e-09 ] [ 4.91482306302948e-09 -6.170296193318477e-10 -6.736250024155842e-09 ] [ 2.1989619374397296e-09 1.4358072413667763e-09 8.147157998876427e-09 ] [ 3.1768802384301565e-09 -8.475742794418127e-09 1.0370051328065723e-09 ] [ 9.1143437993371e-10 -9.582337187007849e-09 -2.755927557434406e-09 ] [ 8.482067386628734e-09 -9.547881417471574e-09 -1.0926059327094146e-08 ] [ -2.1941122289173988e-08 1.067215246450092e-08 2.0729067344220357e-08 ] [ 4.2432899585406085e-09 3.547472823227935e-09 -6.324908960925932e-09 ] [ 1.21738432913446e-08 1.93345435480594e-09 2.5968641033920304e-09 ] [ -1.724314550045136e-09 -5.561365897240098e-09 6.188476892523006e-09 ] [ 8.46998521251362e-10 -8.912621751895277e-10 -3.6359305966389237e-09 ] [ 8.708636629976574e-09 1.305903882475947e-09 -1.8570720263682588e-09 ] [ -2.546598215179361e-09 1.091700510657468e-08 -1.0619800862763295e-08 ] [ 1.4094258011286835e-09 1.3297155916319387e-09 8.796974240141003e-09 ] [ 1.282206072055928e-08 -1.6712536647174815e-09 3.406000307175971e-09 ] [ 9.716500573315724e-09 4.826046296253289e-09 6.700357102190707e-09 ] [ -1.2254859915657946e-09 -6.11669200989871e-09 -4.470810574365879e-09 ] [ -1.2323814393063935e-10 3.159922160204961e-09 -2.771444638006854e-09 ] [ 1.3969180889030842e-09 -1.6804546446154121e-09 5.84212443890962e-09 ] [ -2.370939415698739e-10 2.7843472867694804e-09 1.1816685438165216e-09 ] [ 7.580750591837714e-09 8.133797608253238e-09 -8.433481220385313e-10 ] [ 4.0842274658042055e-09 4.717521901537429e-09 1.9139874282102337e-09 ] [ 1.43827395249216e-10 -4.92193352287259e-09 5.4853386111415856e-09 ] [ -3.3123367414886784e-10 3.1336163427033698e-09 8.551763030939506e-09 ] [ 1.807814227685397e-09 2.464263480160084e-09 -7.726763836650688e-09 ] [ 1.156332844258825e-08 6.257923077933919e-09 -9.43746725543148e-09 ] [ -6.0205013310274294e-09 2.4608311371853444e-10 9.422304576327552e-10 ] [ 3.8101863700527115e-09 -9.829067419863525e-09 -9.299114657913199e-09 ] [ 3.880549481143709e-09 7.0415414146783776e-09 6.084797800343768e-09 ] [ 1.4639959368331316e-09 1.3641583835375868e-09 -2.5551927712263187e-09 ] [ -5.992821967508827e-09 -4.614218039122783e-09 -5.468650820112319e-09 ] [ -1.1619185286336861e-08 1.0806232697842176e-10 5.970038535308065e-10 ] [ -2.363763426831838e-08 8.44635470953344e-09 1.233270599265639e-08 ] [ 5.103522458679779e-09 4.2264472370321104e-09 7.286375631720999e-10 ] [ -8.179111008313353e-09 -1.6788850883106113e-08 -2.2757227480605422e-08 ] [ -1.0661270480892448e-08 6.224111703834529e-10 1.0381880838927737e-08 ] [ -1.3697479612016366e-08 2.5594137055338163e-09 7.876897719514697e-09 ] [ -1.835727829425961e-09 7.2339605837891885e-09 2.3689400594936428e-09 ] [ -4.763762481208e-09 -1.4182627985419005e-08 -4.382567973275063e-09 ] [ -1.78106673815475e-08 -6.814012147099357e-09 1.60504528599601e-08 ] [ -1.260676839735694e-09 -7.242099961458177e-09 -5.144085885712207e-09 ] [ -2.758281475325685e-09 -9.027850935333862e-09 -3.3246052487447926e-09 ] [ -9.99364059908717e-09 7.216924960215547e-09 -1.2087978801012038e-09 ] [ -1.0082658493444791e-08 3.1571210748188163e-09 5.034984707412859e-09 ] [ -3.5831830970582978e-09 -7.359633395312795e-09 4.81340688510946e-09 ] [ -2.57758639385524e-09 1.2518882921434902e-08 -1.7373405023204993e-08 ] [ -1.1017660571035143e-08 -1.074326667599175e-08 -5.974040932724485e-09 ] [ -3.3725072855711332e-09 -4.9163323134062726e-09 -2.3601871282877195e-08 ] [ -8.346102192493108e-09 -8.35722274020042e-09 1.1608979261044705e-09 ] [ -7.750639312436188e-09 -1.2795231311738011e-08 1.7763228053329248e-09 ] ] "source-value" [ [ -2.4786159 1.9126389 -0.8173812 ] [ 3.4999752 6.306281 -0.2089739 ] [ 2.7314847 5.6580591 -5.3224503 ] [ 0.3413761 3.8250786 4.4262138 ] [ 13.0549909 1.7653109 -9.8248741 ] [ 13.6555802 4.5085802 13.7712587 ] [ -9.1994667 -6.4281975 3.0666021 ] [ 1.9591541 -3.2750863 -0.3342477 ] [ 6.4344372 1.7860657 -1.0684288 ] [ -1.0812692 6.7860845 3.7918044 ] [ -3.12396 8.1188107 2.7801767 ] [ 2.1604134 3.7515597 -4.0525554 ] [ 3.7858978 -2.4642604 -4.3223828 ] [ 6.9785653 -1.7153133 5.4046743 ] [ 12.8675986 -5.3348602 4.2382568 ] [ 3.0675913 -0.3851196 -4.2044366 ] [ 1.3724841 0.8961604 5.0850561 ] [ 1.9828527 -5.2901426 0.6472477 ] [ 0.5688726 -5.9808245 -1.7201147 ] [ 5.2940901 -5.9593189 -6.8195099 ] [ -13.6945715 6.6610337 12.9380663 ] [ 2.6484533 2.2141584 -3.9476977 ] [ 7.5983154 1.2067673 1.6208351 ] [ -1.0762325 -3.4711316 3.8625435 ] [ 0.5286549 -0.5562821 -2.2693694 ] [ 5.4355035 0.8150811 -1.1590932 ] [ -1.5894616 6.8138587 -6.6283584 ] [ 0.8796944 0.8299432 5.4906395 ] [ 8.0029009 -1.0431145 2.1258582 ] [ 6.0645627 3.0121812 4.182034 ] [ -0.7648882 -3.8177389 -2.7904605 ] [ -0.0769192 1.9722683 -1.7297997 ] [ 0.8718877 -1.0488573 3.6463673 ] [ -0.1479824 1.7378529 0.7375395 ] [ 4.7315324 5.0767172 -0.5263765 ] [ 2.5491743 2.9444456 1.194617 ] [ 0.08977 -3.0720293 3.4236791 ] [ -0.2067398 1.9558495 5.3375907 ] [ 1.1283489 1.5380723 -4.8226667 ] [ 7.217262 3.9058884 -5.8904038 ] [ -3.7577014 0.153593 0.588094 ] [ 2.3781313 -6.1348214 -5.8040509 ] [ 2.4220485 4.3949845 3.7978321 ] [ 0.9137544 0.8514407 -1.5948259 ] [ -3.7404253 -2.8799684 -3.4132634 ] [ -7.2521251 0.0674472 0.3726205 ] [ -14.753451 5.2718 7.6974697 ] [ 3.1853682 2.6379409 0.4547798 ] [ -5.1049996 -10.4787766 -14.2039443 ] [ -6.6542417 0.3884785 6.4798604 ] [ -8.5492944 1.5974604 4.9163729 ] [ -1.1457712 4.5150831 1.4785761 ] [ -2.9733067 -8.8521002 -2.7353838 ] [ -11.1165443 -4.2529719 10.0179048 ] [ -0.7868526 -4.5201633 -3.2106859 ] [ -1.7215839 -5.6347414 -2.0750554 ] [ -6.2375399 4.5044503 -0.7544723 ] [ -6.2931005 1.97052 3.1425903 ] [ -2.236447 -4.5935219 3.0042923 ] [ -1.6088029 7.8136722 -10.8436266 ] [ -6.8766829 -6.7054197 -3.7287031 ] [ -2.1049535 -3.0685333 -14.7311295 ] [ -5.2092273 -5.2161682 0.7245755 ] [ -4.8375686 -7.9861553 1.1086935 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.319428335985106e-17 "source-value" 82.35224 } }