{ "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" [ [ 0.1629025 -9.28e-05 -0.1357109 ] [ -0.8309844 1.0694722 -0.7294679 ] [ 1.09627 -1.0626783 -0.285243 ] [ 0.2226248 2.0838081 -1.2322651 ] [ 0.7775784 1.5848549 -8.8877346 ] [ 1.1362626 -0.686217 9.4394545 ] [ -0.0878841 -0.3035031 0.1758617 ] [ 0.0 0.0 0.0 ] [ -0.1697145 -0.2166803 -2.0192918 ] [ 0.6484834 1.1035296 1.9824124 ] [ 0.0 0.0 0.0 ] [ 0.1669964 0.4014661 -0.3007827 ] [ 0.4884157 -0.1852279 0.2225593 ] [ 0.0 0.0 0.0 ] [ 7.2553542 1.3122996 1.1384533 ] [ 0.1018107 -0.0776754 -0.7444539 ] [ 0.3462186 -0.326838 0.0397411 ] [ 0.7744514 0.0591187 -0.0847893 ] [ 0.8764848 -0.4398274 -1.0515052 ] [ 0.5592723 0.7138177 -0.1020473 ] [ -0.0125097 0.0261042 0.4151957 ] [ 0.1276035 -0.1161451 0.0267419 ] [ 1.1747181 -0.7295403 -0.8618217 ] [ 0.0814127 -0.3392824 2.06232 ] [ 1.8940647 -0.4992821 0.5592611 ] [ 0.0759263 0.573172 0.127847 ] [ -0.7169231 1.5294494 -1.3703698 ] [ -1.1751942 0.5906632 -0.2418602 ] [ 0.040052 0.268291 0.8236755 ] [ -0.1268994 -0.1900118 0.577076 ] [ -1.3496231 1.0287812 -1.5810137 ] [ 2.0000683 -1.4174431 1.3452731 ] [ 0.0264339 0.0842164 0.234062 ] [ -0.7744514 -0.0591187 0.0847893 ] [ -0.8088113 0.5789698 -1.9299292 ] [ 0.4177668 -0.3462498 2.2412124 ] [ 0.7387947 0.0137454 2.0805331 ] [ 0.430385 1.2796502 0.2496507 ] [ 0.0 0.0 0.0 ] [ -0.8969254 0.2739963 -1.1061618 ] [ -1.2074189 0.0975163 0.3041367 ] [ -0.0124061 -0.7516559 -0.041761 ] [ -0.2267014 0.5672368 -1.7781747 ] [ 0.5018276 -1.3634164 0.9457468 ] [ -0.4663452 0.4445141 -2.9580492 ] [ 0.6527799 -0.6104229 0.8669931 ] [ -0.7160892 0.2594993 2.063561 ] [ -0.6737711 0.3226556 0.120363 ] [ 0.4050488 -0.1059616 -1.1299738 ] [ -0.4291402 -1.8550384 0.2869731 ] [ 0.4478216 -0.9710402 0.3345986 ] [ 0.3594984 0.0705697 0.3244353 ] [ -0.5533762 0.8035455 -0.4351572 ] [ -0.0358751 -0.2610065 0.8070931 ] [ -0.8925234 -0.0658769 0.0688968 ] [ -0.9009554 -0.1038098 -1.0360083 ] [ -0.0274815 0.1817223 -0.4387998 ] [ -1.0702847 -1.3521576 0.9136272 ] [ 0.0 0.0 0.0 ] [ 0.4215226 -0.3602261 -0.8039228 ] [ 0.0627396 -0.8420449 0.7388987 ] [ -2.3113495 1.2169711 -6.5001137 ] [ -6.7069452 -0.5971733 5.7278881 ] [ -1.2910067 -2.3039927 0.4570773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.60998579120185e-10 -1.4868199163520002e-13 -2.174328329591106e-10 ] [ -1.3313837888985095e-09 1.713483369552575e-09 -1.1687364246330486e-09 ] [ 1.7564181785551801e-09 -1.7025983417188422e-09 -4.5700966961206205e-10 ] [ 3.566842527089232e-10 3.3386286475599355e-09 -1.9743063501136733e-09 ] [ 1.2458179435831056e-09 2.539217489060407e-09 -1.4239720705313336e-08 ] [ 1.8204933878080884e-09 -1.099440843253578e-09 1.5123673437606154e-08 ] [ -1.408058515201194e-10 -4.862655751665655e-10 2.817615065555178e-10 ] [ 0.0 0.0 0.0 ] [ -2.7191260635099296e-10 -3.471601137081102e-10 -3.235262139187801e-09 ] [ 1.0389849510168757e-09 1.7680493400473665e-09 3.176174826231862e-09 ] [ 0.0 0.0 0.0 ] [ 2.675577300421176e-10 6.432196047631073e-10 -4.819070138514318e-10 ] [ 7.825282222187538e-10 -2.967678133448886e-10 3.5657931013939617e-10 ] [ 0.0 0.0 0.0 ] [ 1.1624358970633764e-08 2.1025357559275464e-09 1.824003276160192e-09 ] [ 1.631187246311838e-10 -1.2444971091660361e-10 -1.1927466436701726e-09 ] [ 5.547033511761924e-10 -5.23652206703292e-10 6.36722618294574e-11 ] [ 1.2408079372485877e-09 9.47185997724558e-11 -1.358474352732162e-10 ] [ 1.4042834666161631e-09 -7.046811832729716e-10 -1.6846970619694969e-09 ] [ 8.960530111034382e-10 1.1436620398756218e-09 -1.634977996227882e-10 ] [ -2.00427490383498e-11 4.18235392892628e-11 6.652168490772738e-10 ] [ 2.0444334611661902e-10 -1.860849653735934e-10 4.28452473287646e-11 ] [ 1.8821058913568756e-09 -1.1688524222213503e-09 -1.3807905904141578e-09 ] [ 1.3043752565085182e-10 -5.435903336074416e-10 3.3042009158308805e-09 ] [ 3.0346262056242197e-09 -7.999381143944514e-10 8.960350667251374e-10 ] [ 1.216473437660742e-10 9.18322785663048e-10 2.04833476126998e-10 ] [ -1.1486374391948454e-09 2.4504480915653197e-09 -2.195574473499253e-09 ] [ -1.8828686876523228e-09 9.463467776036688e-10 -3.875027611345668e-10 ] [ 6.4170378544968e-11 4.29849571312494e-10 1.319673640098267e-09 ] [ -2.033152535486196e-10 -3.044324661442812e-10 9.245776832421841e-10 ] [ -2.1623345955266454e-09 1.6482892001384808e-09 -2.533063208173886e-09 ] [ 3.2044626966641025e-09 -2.2709942148445257e-09 2.1553651271687454e-09 ] [ 4.23517769254926e-11 1.3492954827959758e-10 3.75008667307308e-10 ] [ -1.2408079372485877e-09 -9.47185997724558e-11 1.358474352732162e-10 ] [ -1.2958585661751642e-09 9.276118853516532e-10 -3.0920874695143125e-09 ] [ 6.693362054209512e-10 -5.547533390871732e-10 3.590818139111062e-09 ] [ 1.1836796056630398e-09 2.20225587049836e-11 3.3333815190835853e-09 ] [ 6.895527906240901e-10 2.050225650133427e-09 3.999845182017438e-10 ] [ 0.0 0.0 0.0 ] [ -1.4370329183211035e-09 4.3899046966245424e-10 -1.7722665893833811e-09 ] [ -1.9344983490299824e-09 1.562383372941342e-10 4.872807142818677e-10 ] [ -1.98767635390674e-11 -1.2042855197882406e-09 -6.6908498412474e-11 ] [ -3.632156859750876e-10 9.088135469049311e-10 -2.84894995550996e-09 ] [ 8.040164550162985e-10 -2.1844338984923977e-09 1.5152534246402711e-09 ] [ -7.471673828180568e-10 7.121901045035395e-10 -4.739317310462393e-09 ] [ 1.0458687029248565e-09 -9.780053072385185e-10 1.3890760866592254e-09 ] [ -1.1473013840997527e-09 4.1576371499935617e-10 3.306189217033674e-09 ] [ -1.0795003130844773e-09 5.169512631492504e-10 1.9284278619814199e-10 ] [ 6.489597229897392e-10 -1.697691996212544e-10 -1.8104176193921891e-09 ] [ -6.875584011500869e-10 -2.9720991796527456e-09 4.597815954065454e-10 ] [ 7.174893037204944e-10 -1.5557779191146868e-09 5.360860586891125e-10 ] [ 5.759799364403856e-10 1.130651244083898e-10 5.198026569047802e-10 ] [ -8.866064174517108e-10 1.287421824455847e-09 -6.971986979568648e-10 ] [ -5.74782469624134e-11 -4.1817851562212094e-10 1.2931057062826253e-09 ] [ -1.4299801367782356e-09 -1.055464299003546e-10 1.1038484311737119e-10 ] [ -1.4434896901561235e-09 -1.6632163594021318e-10 -1.6598682908900623e-09 ] [ -4.4030217167271e-11 2.911512229367382e-10 -7.030347865638733e-10 ] [ -1.7147851380676998e-09 -2.166395312205518e-09 1.4637921520268448e-09 ] [ 0.0 0.0 0.0 ] [ 6.753536604229285e-10 -5.771458403769474e-10 -1.2880263256998552e-09 ] [ 1.0051992114650641e-10 -1.3491046635588665e-09 1.1838462320329758e-09 ] [ -3.703190161907583e-09 1.9498026606732773e-09 -1.0414330288483286e-08 ] [ -1.0745710884958456e-08 -9.567771077086723e-10 9.177088475986656e-09 ] [ -2.068420769077448e-09 -3.6914032688465713e-09 7.323185699918083e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -121.97248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.954214574470323e-17 } }