{ "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" [ [ 0.0707911 2.4942267 0.5315458 ] [ 0.291697 0.4774011 -1.5685083 ] [ -0.757427 0.1902685 1.1235381 ] [ 1.2450568 3.8540478 0.6123892 ] [ 4.1637801 1.2428489 -8.934915 ] [ 2.8893476 0.6708537 9.3484465 ] [ 1.3521114 -2.2343372 1.3330624 ] [ 0.7521145 -1.4558121 0.902899 ] [ 1.6616966 1.8608575 -4.5046331 ] [ -0.2979306 1.1685283 2.6122305 ] [ -0.291815 1.5284651 -0.3311314 ] [ 1.6942293 2.0250549 -1.1146536 ] [ 0.2024852 -1.5242252 2.4400605 ] [ 0.2903982 -0.3479059 1.0334005 ] [ 6.644809 -0.8054731 1.2855277 ] [ 1.2981202 -1.8479142 -1.2669699 ] [ -0.2604706 -0.7455847 0.5880082 ] [ -1.1044917 -0.5949365 -1.1024177 ] [ -1.0723724 -0.4042624 -1.1381064 ] [ 1.1531311 -1.589217 -3.0309082 ] [ -2.9106803 0.5904618 3.189818 ] [ -1.9856929 0.3478473 0.9035413 ] [ 2.7227439 -0.3130577 -0.6983573 ] [ -1.8323859 0.3796909 3.5948705 ] [ -1.1154251 -0.8382276 1.5701865 ] [ 1.0554252 -0.3233113 -1.276538 ] [ -0.506894 3.1566138 0.228753 ] [ 0.2099439 -0.1120512 -1.5010291 ] [ 1.4567707 -1.9700238 1.2695812 ] [ 0.7758306 1.5847339 0.5332383 ] [ 0.0036283 -1.822765 -2.6320746 ] [ -1.7633382 -0.3952577 2.4280304 ] [ 1.4248385 1.0344185 3.1482711 ] [ 2.0957448 0.2708846 0.7775695 ] [ 1.7920922 0.8369182 -2.0052467 ] [ 0.2571838 1.8796555 2.6358027 ] [ 0.6238852 -1.1685795 2.4599314 ] [ 1.2802263 0.7266638 -0.2265052 ] [ -0.8739283 0.6285113 -0.6513075 ] [ 2.9021304 0.3766256 -3.9213365 ] [ 1.1347946 0.3611344 0.5275275 ] [ 1.681255 -2.0121895 -2.1132734 ] [ 0.3672143 0.1569279 -3.7105875 ] [ -0.1203029 0.9931148 1.2062921 ] [ -0.5075852 0.2017049 -4.8311449 ] [ -2.8899954 0.8892686 0.8459872 ] [ -2.5340929 0.317323 3.6741915 ] [ 1.2512899 0.1752631 -0.5272949 ] [ -1.09888 -1.4643159 -1.9833349 ] [ -1.6484926 -0.6073728 1.225964 ] [ -1.2528155 1.9873682 -0.926634 ] [ -1.1975225 0.9376067 -0.4277046 ] [ -2.1769988 -2.9811296 -0.3609732 ] [ -2.3650443 -1.5231116 3.883532 ] [ -2.4210685 -1.8570976 -0.1189564 ] [ -1.0798589 -1.6791707 -0.4997962 ] [ -2.0315253 1.9129433 -1.2689697 ] [ -1.461641 1.4835683 2.3188516 ] [ -0.8293053 0.1580979 0.015029 ] [ -2.2045411 1.9609864 -2.7403764 ] [ -0.1320679 -2.3991517 -2.7440896 ] [ 1.400078 -0.4715199 -6.8542094 ] [ -4.2935276 -2.0778831 6.0655658 ] [ -1.1267255 -3.2950011 0.6983407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1341984538071488e-10 3.996191705715135e-09 8.516302536444326e-10 ] [ 4.673501137574976e-10 7.64880881164203e-10 -2.5130273277907526e-09 ] [ -1.2135318313626816e-09 3.048437423746848e-10 1.8001064763980525e-09 ] [ 1.9948008965280616e-09 6.174865280605674e-09 9.811556590704153e-10 ] [ 6.671111130372287e-09 1.9912634507669973e-09 -1.4315311921835234e-08 ] [ 4.62924517408459e-09 1.074826114117177e-09 1.4977862423099587e-08 ] [ 2.1663212737971574e-09 -3.579802824823734e-09 2.135801411347538e-09 ] [ 1.2050202680646817e-09 -2.3324681108977515e-09 1.4466036687436993e-09 ] [ 2.6623314433828495e-09 2.9814223811403364e-09 -7.217217838101829e-09 ] [ -4.773374419409164e-10 1.8721887230031686e-09 4.185254635240694e-09 ] [ -4.67539170598752e-10 2.448871048928734e-09 -5.305309874927732e-10 ] [ 2.7144545747343494e-09 3.2444956166164823e-09 -1.785871938210555e-09 ] [ 3.244170534980122e-10 -2.442077980274204e-09 3.909407886437559e-09 ] [ 4.6526920676240255e-10 -5.574066992183827e-10 1.6556901210230303e-09 ] [ 1.0646157629481429e-08 -1.2905101695033006e-09 2.0596424263307964e-09 ] [ 2.07981783542822e-09 -2.9606849284843355e-09 -2.029909553037314e-09 ] [ -4.1731990572574847e-10 -1.1945583751661818e-09 9.420929908786905e-10 ] [ -1.7695907796076476e-09 -9.531933511605792e-10 -1.7662678652961082e-09 ] [ -1.7181299880711857e-09 -6.47699765948498e-10 -1.8234474660628534e-09 ] [ 1.8475196891373868e-09 -2.546206322777914e-09 -4.856050257831011e-09 ] [ -4.66342392728313e-09 9.460240914354855e-10 5.110651824207014e-09 ] [ -3.1814307404685526e-09 5.573128116684039e-10 1.4476327467872391e-09 ] [ 4.362316621005814e-09 -5.015737279014202e-10 -1.1188917390250119e-09 ] [ -2.935805849263567e-09 6.083318831105108e-10 5.759617469903606e-09 ] [ -1.787108017473502e-09 -1.342988663629294e-09 2.515716100595779e-09 ] [ 1.6909775804431641e-09 -5.180018061004551e-10 -2.0452393391627905e-09 ] [ -8.121337160237951e-10 5.057452831254648e-09 3.665027085378624e-10 ] [ 3.363672082595731e-10 -1.7952581297258497e-10 -2.4049137311604653e-09 ] [ 2.3340039574064507e-09 -3.1563260747795754e-09 2.034093316847209e-09 ] [ 1.2430176490212367e-09 2.5390236047692055e-09 8.543419375751367e-10 ] [ 5.8131774332486404e-12 -2.920391468212512e-09 -4.217048388321512e-09 ] [ -2.825179238603555e-09 -6.332726461311802e-10 3.890133541471673e-09 ] [ 2.2828429331157408e-09 1.6573211368230048e-09 5.044086352360299e-09 ] [ 3.3577533217231717e-09 4.3400497305475966e-10 1.2458036739471456e-09 ] [ 2.8712482251580377e-09 1.3408907735620186e-09 -3.212759381676351e-09 ] [ 4.1205387160850307e-10 3.0115400972581342e-09 4.223021462981516e-09 ] [ 9.995742815031323e-10 -1.8722707544461537e-09 3.941244577851813e-09 ] [ 2.051148647193287e-09 1.164243751541687e-09 -3.629013359296282e-10 ] [ -1.4001874905154887e-09 1.006986110768615e-09 -1.043509649451696e-09 ] [ 4.6497254773929525e-09 6.034207311147725e-10 -6.282673662589699e-09 ] [ 1.8181413775300877e-09 5.786010926466356e-10 8.451922273290721e-10 ] [ 2.693667454603104e-09 -3.2238829735192416e-09 -3.385837234838527e-09 ] [ 5.883421662834375e-10 2.5142621253124035e-10 -5.94501654193272e-09 ] [ -1.9274649379444033e-10 1.5911453143304678e-09 1.9326930004757356e-09 ] [ -8.132411405040921e-10 3.231668750808019e-10 -7.740347410477154e-09 ] [ -4.630283064099545e-09 1.424765360531547e-09 1.355420913336054e-09 ] [ -4.060064399315273e-09 5.084074918421185e-10 5.886703721642084e-09 ] [ 2.00478742362317e-09 2.808024413089325e-10 -8.44819561047074e-10 ] [ -1.7605998450647043e-09 -2.3460927004457107e-09 -3.177652807996706e-09 ] [ -2.6411763032818062e-09 -9.731185002698344e-10 1.9642108587424513e-09 ] [ -2.0072317042758625e-09 3.1841148669613786e-09 -1.4846313308383873e-09 ] [ -1.918642552381968e-09 1.5022115342454395e-09 -6.852583107286157e-10 ] [ -3.487936580869655e-09 -4.7762961486948556e-09 -5.783428217753626e-10 ] [ -3.789218684616302e-09 -2.4402937963892814e-09 6.222104176528666e-09 ] [ -3.878979348055325e-09 -2.97539835726379e-09 -1.9058916297453312e-10 ] [ -1.7301246833428054e-09 -2.690328037872371e-09 -8.007617868046811e-10 ] [ -3.2548623402237066e-09 3.064873032176001e-09 -2.0331135858435898e-09 ] [ -2.341807038202733e-09 2.3769384456200007e-09 3.7152098206246732e-09 ] [ -1.3286935631655303e-09 2.5330075917757637e-10 2.40791124340032e-11 ] [ -3.5320642100127153e-09 3.141846563786757e-09 -4.390567000272069e-09 ] [ -2.1159610173815232e-10 -3.843864763492576e-09 -4.396516202500424e-09 ] [ 2.2431722388964222e-09 -7.55458160021954e-10 -1.0981654054747597e-08 ] [ -6.878989541479534e-09 -3.329135723575429e-09 9.718107716684049e-09 ] [ -1.8052132541591905e-09 -5.279173727930283e-09 1.1188651428931067e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -242.20708 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.880585209682353e-17 } }