{ "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" [ 10.5015 0 0 ] "si-unit" "m" "si-value" [ 1.05015e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.51291 9.05218 0 ] "si-unit" "m" "si-value" [ -5.51291e-10 9.05218e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.313427 -0.139384 10.3021 ] "si-unit" "m" "si-value" [ 3.13427e-11 -1.39384e-11 1.03021e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0783557 -0.0440655 0.233594 ] [ -0.075441 0.0140084 2.92689 ] [ 0.15797 -0.0496886 5.18133 ] [ 0.143362 -0.0321956 7.74544 ] [ -1.34723 1.81386 -0.0667043 ] [ -1.29804 2.22348 2.74465 ] [ -1.37329 2.43691 5.39412 ] [ -1.23419 2.11129 7.9435 ] [ -2.78298 4.50314 0.0515866 ] [ -2.71713 4.54462 2.60305 ] [ -2.79548 4.57615 5.66473 ] [ -2.68168 4.3709 7.44461 ] [ -4.19539 6.75541 -0.0772446 ] [ -3.97338 6.78481 2.8886 ] [ -4.03251 6.60917 5.72579 ] [ -4.02233 6.40246 8.07686 ] [ 2.66561 0.088017 -0.466569 ] [ 2.71712 0.0907191 2.55381 ] [ 2.73497 -0.250154 5.32496 ] [ 2.84625 0.0181634 7.72048 ] [ 1.08513 2.27456 -0.0131017 ] [ 1.05402 2.39973 2.77658 ] [ 1.30514 2.3685 5.09661 ] [ 1.3738 2.20512 8.09187 ] [ -0.152488 4.54806 0.38349 ] [ 0.0968205 4.43326 2.41994 ] [ 0.0778554 4.4539 5.1735 ] [ 0.153902 4.56104 7.74119 ] [ -1.6707 6.87679 0.13995 ] [ -1.39051 6.76572 2.62611 ] [ -1.50636 6.92742 5.04905 ] [ -1.30413 6.71417 7.79889 ] [ 5.25109 0.338543 -0.329879 ] [ 5.04484 0.432004 2.48232 ] [ 5.29846 0.19401 5.16063 ] [ 5.5081 0.0737722 7.63778 ] [ 3.82793 2.38249 -0.579268 ] [ 4.05884 2.52604 2.79952 ] [ 3.63239 2.50396 4.9627 ] [ 4.1449 2.1942 7.55721 ] [ 2.41772 4.6623 -0.0103564 ] [ 2.7966 4.50916 2.67524 ] [ 2.6089 4.52499 4.98789 ] [ 2.88498 4.74777 7.56459 ] [ 1.05841 6.92261 0.360415 ] [ 1.19913 6.89458 2.66084 ] [ 1.27437 6.87336 4.91646 ] [ 1.1295 7.14029 7.41261 ] [ 7.96884 0.204129 -0.266294 ] [ 7.95032 0.175673 2.07345 ] [ 8.14606 0.0984968 5.10039 ] [ 8.25443 0.339281 7.19867 ] [ 6.63153 2.43936 0.143906 ] [ 6.4352 2.3573 2.31655 ] [ 6.50476 2.22039 4.97742 ] [ 6.64975 2.15079 7.18275 ] [ 5.10129 4.68145 -0.110294 ] [ 5.15127 4.78479 2.5695 ] [ 5.60589 4.61737 5.17878 ] [ 5.43397 4.61124 7.29855 ] [ 3.82373 7.05323 -0.0794477 ] [ 3.8528 6.94235 2.49944 ] [ 3.95984 6.94 4.89966 ] [ 3.94133 6.82062 7.7087 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.83557e-12 -4.4065500000000004e-12 2.33594e-11 ] [ -7.544099999999999e-12 1.4008400000000001e-12 2.9268900000000004e-10 ] [ 1.5797e-11 -4.96886e-12 5.18133e-10 ] [ 1.43362e-11 -3.21956e-12 7.74544e-10 ] [ -1.34723e-10 1.81386e-10 -6.67043e-12 ] [ -1.2980400000000002e-10 2.22348e-10 2.74465e-10 ] [ -1.37329e-10 2.43691e-10 5.39412e-10 ] [ -1.23419e-10 2.11129e-10 7.943500000000001e-10 ] [ -2.78298e-10 4.5031400000000005e-10 5.15866e-12 ] [ -2.71713e-10 4.54462e-10 2.60305e-10 ] [ -2.79548e-10 4.5761500000000003e-10 5.664729999999999e-10 ] [ -2.68168e-10 4.3709e-10 7.44461e-10 ] [ -4.1953899999999997e-10 6.75541e-10 -7.72446e-12 ] [ -3.9733800000000003e-10 6.78481e-10 2.8885999999999997e-10 ] [ -4.0325100000000004e-10 6.60917e-10 5.72579e-10 ] [ -4.0223300000000004e-10 6.40246e-10 8.07686e-10 ] [ 2.66561e-10 8.8017e-12 -4.6656900000000004e-11 ] [ 2.71712e-10 9.07191e-12 2.55381e-10 ] [ 2.73497e-10 -2.50154e-11 5.32496e-10 ] [ 2.84625e-10 1.8163400000000001e-12 7.72048e-10 ] [ 1.08513e-10 2.2745600000000003e-10 -1.31017e-12 ] [ 1.05402e-10 2.39973e-10 2.7765800000000004e-10 ] [ 1.30514e-10 2.3685e-10 5.09661e-10 ] [ 1.3738e-10 2.2051200000000001e-10 8.09187e-10 ] [ -1.52488e-11 4.5480600000000007e-10 3.8349e-11 ] [ 9.68205e-12 4.43326e-10 2.41994e-10 ] [ 7.78554e-12 4.4539e-10 5.1735e-10 ] [ 1.53902e-11 4.5610400000000004e-10 7.74119e-10 ] [ -1.6707000000000002e-10 6.87679e-10 1.3995e-11 ] [ -1.39051e-10 6.76572e-10 2.6261100000000005e-10 ] [ -1.50636e-10 6.927419999999999e-10 5.04905e-10 ] [ -1.3041300000000002e-10 6.71417e-10 7.798890000000001e-10 ] [ 5.25109e-10 3.38543e-11 -3.29879e-11 ] [ 5.04484e-10 4.32004e-11 2.48232e-10 ] [ 5.298460000000001e-10 1.9401e-11 5.16063e-10 ] [ 5.5081e-10 7.377219999999999e-12 7.63778e-10 ] [ 3.82793e-10 2.38249e-10 -5.79268e-11 ] [ 4.0588400000000003e-10 2.52604e-10 2.7995199999999997e-10 ] [ 3.63239e-10 2.5039600000000005e-10 4.9627e-10 ] [ 4.1449e-10 2.1942e-10 7.557210000000001e-10 ] [ 2.41772e-10 4.662300000000001e-10 -1.03564e-12 ] [ 2.7966000000000005e-10 4.50916e-10 2.67524e-10 ] [ 2.6089e-10 4.52499e-10 4.98789e-10 ] [ 2.88498e-10 4.747770000000001e-10 7.56459e-10 ] [ 1.0584100000000001e-10 6.92261e-10 3.60415e-11 ] [ 1.19913e-10 6.894580000000001e-10 2.66084e-10 ] [ 1.27437e-10 6.87336e-10 4.91646e-10 ] [ 1.1295e-10 7.140290000000001e-10 7.41261e-10 ] [ 7.968840000000001e-10 2.04129e-11 -2.66294e-11 ] [ 7.95032e-10 1.75673e-11 2.07345e-10 ] [ 8.14606e-10 9.84968e-12 5.10039e-10 ] [ 8.254429999999999e-10 3.39281e-11 7.19867e-10 ] [ 6.63153e-10 2.43936e-10 1.43906e-11 ] [ 6.435200000000001e-10 2.3573e-10 2.31655e-10 ] [ 6.504760000000001e-10 2.22039e-10 4.977420000000001e-10 ] [ 6.649750000000001e-10 2.1507900000000004e-10 7.182750000000001e-10 ] [ 5.10129e-10 4.68145e-10 -1.10294e-11 ] [ 5.15127e-10 4.78479e-10 2.5695000000000003e-10 ] [ 5.60589e-10 4.6173700000000003e-10 5.17878e-10 ] [ 5.433970000000001e-10 4.61124e-10 7.29855e-10 ] [ 3.82373e-10 7.05323e-10 -7.94477e-12 ] [ 3.8528e-10 6.94235e-10 2.49944e-10 ] [ 3.95984e-10 6.940000000000001e-10 4.89966e-10 ] [ 3.94133e-10 6.82062e-10 7.7087e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6408019 -0.3025839 2.2176680000000006 ] [ 2.6512595 0.3487838 -2.2582650000000006 ] [ 2.5478292 1.5712727 0.8480722000000003 ] [ 2.2559918 -0.7247869 0.4727864000000001 ] [ 1.4062956 5.9088853 1.8501083000000005 ] [ -1.6686306 1.7768747 -0.20084260000000007 ] [ 2.2535562 1.0157025 -1.8104856000000005 ] [ 1.9076623 4.9225081 1.7840521000000005 ] [ 2.5807637 0.7546783 -1.0885895000000003 ] [ 1.8274456 0.2288312 0.5369524000000001 ] [ 6.6600174 0.8010646 -8.153084100000001 ] [ 5.7042409 -0.8167658 9.539853600000002 ] [ 2.3427829 1.3377894 4.516826600000001 ] [ 1.5274727 2.0159437 -1.7071076000000005 ] [ 0.5105893 5.3325635 -2.0614831000000002 ] [ 1.640435 3.7015087 2.4408023000000005 ] [ 0.6144939 -0.3918827 5.658392200000001 ] [ -0.9754365 0.3973883 -2.7142170000000005 ] [ -0.2846614 2.7178745 -1.8648775000000004 ] [ -0.8046348 -0.5156304 -1.7278066000000005 ] [ 3.2059799 1.6168675 3.4761621000000007 ] [ 3.4967691 -2.0813775 -3.204764000000001 ] [ -0.2305461 -1.9724805 3.0031437000000007 ] [ 1.2918131 3.3395167 -2.4715925000000003 ] [ -0.6605473 1.4410796 -5.086269400000001 ] [ -0.7513203 2.4771292 1.8392235000000003 ] [ -1.092977 3.1527234 0.16388110000000003 ] [ 1.7060929 1.2923151 2.7543457000000005 ] [ 2.560199 0.6721608 0.19773240000000006 ] [ 0.9494804 1.1371073 -1.1583215000000002 ] [ 3.18119 -1.6539442 -0.9778858000000002 ] [ 2.2129855 -0.8514896 1.7874614000000004 ] [ 0.3569158 -2.9670763 3.165952100000001 ] [ 0.54193 -4.318152 -1.9314790000000004 ] [ -0.6924357 -2.5203986 -2.5450084000000004 ] [ -0.2969168 -2.5966325 1.5137674000000005 ] [ -0.7161502 1.9560494 5.203550800000001 ] [ -2.192749 -1.8100983 -4.965945500000001 ] [ 0.5401947 -2.7499275 2.2195376000000007 ] [ -2.5409257 2.0597733 -1.1573698000000001 ] [ -0.4583528 0.1152094 -0.9581682000000002 ] [ -2.3406438 0.8023033 -4.034829800000001 ] [ -1.0300343 3.0349204 2.5662305000000005 ] [ -3.9800904 -0.8456105 2.1502072000000005 ] [ -1.150545 0.1988617 -3.663112700000001 ] [ -1.2433403 1.0800245 -0.7558883000000002 ] [ -1.3662873 -0.5515336 1.0537649000000002 ] [ 1.6033291 -3.8322308 2.9991682000000006 ] [ -4.9897333 -5.0542186 -2.3975105000000005 ] [ -2.9734017 -1.7292112 1.8613093000000005 ] [ -2.3728731 -1.8201513 -4.9455464000000005 ] [ -1.6111327 -4.7094107 3.2004067000000007 ] [ -2.0931775 0.2488677 -2.4707125000000003 ] [ 0.8150406 0.0026421 0.8004882000000002 ] [ -0.2274171 -0.6601791 -5.227948700000001 ] [ -0.9058485 0.1543185 4.917203600000001 ] [ -2.2005661 -2.4383292 0.5649124000000001 ] [ 0.8688352 -0.3033513 -2.3248513000000006 ] [ -5.0151929 -1.4062444 -5.967008000000001 ] [ -5.5128933 -3.0345968 5.056199100000001 ] [ -3.6019885 -2.6445587 0.08140530000000001 ] [ -1.3903531 -0.671759 -2.2854667000000006 ] [ -1.9680861 -1.9632239 0.7351680000000002 ] [ -4.062504 0.3242966 0.9397025000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.83320768514422e-09 -4.847928504104852e-10 3.5530958222962956e-09 ] [ 4.247785986573898e-09 5.58813250073783e-10 -3.6181393865709133e-09 ] [ 4.082072378031567e-09 2.517456384841292e-09 1.3587614515904222e-09 ] [ 3.6144973186765093e-09 -1.1612366262421076e-09 7.574873167121974e-10 ] [ 2.2531339322539083e-09 9.467077882648794e-09 2.9642002642080337e-09 ] [ -2.6734409360714764e-09 2.846867102431014e-09 -3.217853181806862e-10 ] [ 3.6105950572988887e-09 1.627334799188112e-09 -2.9007177006150613e-09 ] [ 3.0564119374415558e-09 7.886727393518628e-09 2.8583665649091444e-09 ] [ 4.1348392639493045e-09 1.2091279284850886e-09 -1.7441126465483621e-09 ] [ 2.9278906161038285e-09 3.66627998749609e-10 8.602925817624501e-10 ] [ 1.0670524172401202e-08 1.2834469738705037e-09 -1.3062680732436212e-08 ] [ 9.139201409391152e-09 -1.3086030694290086e-09 1.528453040377472e-08 ] [ 3.753551989990025e-09 2.1433749002340596e-09 7.236753978727555e-09 ] [ 2.4472810488502522e-09 3.2298978649890486e-09 -2.735087885909999e-09 ] [ 8.180542392906375e-10 8.543708568631422e-09 -3.302860026994309e-09 ] [ 2.6282666049420483e-09 5.930470700827801e-09 3.910596381054869e-09 ] [ 9.845277602042132e-10 -6.278653000359802e-10 9.065743694157078e-09 ] [ -1.5628215553749794e-09 6.366862436394567e-10 -4.348655021177915e-09 ] [ -4.5607783992419715e-10 4.35451498216849e-09 -2.987863131155953e-09 ] [ -1.2891670648420838e-09 -8.261309718537524e-10 -2.7682513397839384e-09 ] [ 5.136546042534722e-09 2.590507307431344e-09 5.569425646731033e-09 ] [ 5.602441700355857e-09 -3.334734369559152e-09 -5.134597955981493e-09 ] [ -3.693755714366189e-10 -3.1602621420838946e-09 4.811566625042811e-09 ] [ 2.0697127472631724e-09 5.350495581511167e-09 -3.959927719644624e-09 ] [ -1.0583134409925639e-09 2.3088640438318158e-09 -8.149101919770446e-09 ] [ -1.2037478193924424e-09 3.9687984909410076e-09 2.9467608921259496e-09 ] [ -1.7511421964721217e-09 5.051219723329087e-09 2.6256646701098694e-10 ] [ 2.7334621572928723e-09 2.070517039926814e-09 4.412948286141011e-09 ] [ 4.1018909823955395e-09 1.0769203191782246e-09 3.1680222845467404e-10 ] [ 1.5212352987878323e-09 1.821846731401012e-09 -1.8558356266699876e-09 ] [ 5.0968282443227525e-09 -2.6499107293477596e-09 -1.5667457665723052e-09 ] [ 3.5455936302693985e-09 -1.3642367299743437e-09 2.863828865662438e-09 ] [ 5.718421503541287e-10 -4.7537802799897675e-09 5.0724144371926654e-09 ] [ 8.682675761101441e-10 -6.918442179460763e-09 -3.094570497366164e-09 ] [ -1.1094042899472825e-09 -4.038123712017051e-09 -4.077552958219615e-09 ] [ -4.757131552827495e-10 -4.160263884309456e-09 2.425322737609203e-09 ] [ -1.1473991074212441e-09 3.1339366178098676e-09 8.337007436905139e-09 ] [ -3.5131711830825796e-09 -2.9000971776098246e-09 -7.956321780266968e-09 ] [ 8.654873190200699e-10 -4.405869549394992e-09 3.5560912517065434e-09 ] [ -4.071011751729875e-09 3.3001206254080645e-09 -1.854310835179972e-09 ] [ -7.343621402382183e-10 1.8458580717639554e-10 -1.535154688834019e-09 ] [ -3.750124773980471e-09 1.2854315900506888e-09 -6.464509974467141e-09 ] [ -1.6502968740820936e-09 4.862478510868984e-09 4.1115545106838955e-09 ] [ -6.37680778755052e-09 -1.3548173734029984e-09 3.445011705715831e-09 ] [ -1.843376300178336e-09 3.186115665125434e-10 -5.868953527295566e-09 ] [ -1.9920507603584583e-09 1.7303900037912095e-09 -1.211066562196257e-09 ] [ -2.1890335693559557e-09 -8.836542395056589e-10 1.6883174865996503e-09 ] [ 2.5688163994683056e-09 -6.139910593269681e-09 4.80519717188682e-09 ] [ -7.994434037287234e-09 -8.097750877332506e-09 -3.84123527122252e-09 ] [ -4.763914687986976e-09 -2.770501757065513e-09 2.9821462445376145e-09 ] [ -3.801761804945221e-09 -2.9162038591787273e-09 -7.923638819161607e-09 ] [ -2.5813191449463802e-09 -7.545307721285363e-09 5.127616791791681e-09 ] [ -3.353640053684592e-09 3.9873001061226815e-10 -3.95851780421832e-09 ] [ 1.3058389943228045e-09 4.2331108498156805e-12 1.282523479266275e-09 ] [ -3.6436236079013573e-10 -1.0577235195607854e-09 -8.376097181881755e-09 ] [ -1.4513292886867488e-09 2.472454928569248e-10 7.878228647633595e-09 ] [ -3.5256955579450352e-09 -3.9066340380539674e-09 9.050894400800181e-10 ] [ 1.3920274447680924e-09 -4.860223607492871e-10 -3.7248223996964883e-09 ] [ -8.035224813182151e-09 -2.2530519008109236e-09 -9.560200713726568e-09 ] [ -8.832628758224962e-09 -4.861960046514494e-09 8.100923988130003e-09 ] [ -5.771021763090461e-09 -4.237050121473241e-09 1.3042566846921026e-10 ] [ -2.2275912314768045e-09 -1.0762765646119872e-09 -3.6617213143569285e-09 ] [ -3.153221537141451e-09 -3.1454314339757972e-09 1.1778689819602946e-09 ] [ -6.508848930706483e-09 5.195804307249293e-10 1.5055693760073124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6973.3757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.117257951459484e-15 } }