{ "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" [ 10.8883 0 0 ] "si-unit" "m" "si-value" [ 1.08883e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.08893 9.25118 0 ] "si-unit" "m" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.000292429 -0.0106915 10.0599 ] "si-unit" "m" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ -0.0447334 -0.306647 7.45196 ] [ -1.26306 2.30575 0.363968 ] [ -1.39208 2.33654 2.5263 ] [ -1.17537 2.25364 4.90735 ] [ -1.46062 2.40803 7.6638 ] [ -2.65707 4.84171 -0.172878 ] [ -2.69521 4.91401 2.73911 ] [ -2.71562 4.80584 5.08926 ] [ -2.41811 4.7596 7.57071 ] [ -3.78692 6.96269 -0.124184 ] [ -3.67368 6.79821 2.28555 ] [ -3.63384 6.77872 5.17021 ] [ -3.90874 6.88934 7.63294 ] [ 2.22908 0.0767241 0.0508547 ] [ 2.66227 -0.0303766 2.20661 ] [ 2.68937 -0.14877 5.17388 ] [ 2.69311 0.141266 7.96758 ] [ 1.48301 2.08354 -0.377774 ] [ 1.28213 2.1725 2.62382 ] [ 1.22126 2.22618 5.08282 ] [ 1.21936 2.44469 7.82317 ] [ 0.113886 4.55562 -0.179321 ] [ 0.0810082 4.45019 2.6631 ] [ 0.179801 4.81405 5.52672 ] [ 0.094404 4.56508 7.94684 ] [ -1.18564 6.74928 0.170597 ] [ -1.09246 6.89596 2.51272 ] [ -1.03539 6.71682 5.11403 ] [ -1.20238 6.93517 7.66034 ] [ 5.60211 -0.0612136 0.339346 ] [ 5.09974 -0.103113 2.43936 ] [ 5.14881 -0.0708218 5.59289 ] [ 5.38392 -0.436684 7.94408 ] [ 4.14454 2.22131 0.192156 ] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 ] [ -3.90874e-10 6.889340000000001e-10 7.63294e-10 ] [ 2.2290800000000002e-10 7.672410000000001e-12 5.08547e-12 ] [ 2.66227e-10 -3.0376600000000002e-12 2.20661e-10 ] [ 2.68937e-10 -1.4877e-11 5.17388e-10 ] [ 2.69311e-10 1.4126600000000001e-11 7.96758e-10 ] [ 1.48301e-10 2.0835400000000002e-10 -3.77774e-11 ] [ 1.2821300000000002e-10 2.1725e-10 2.62382e-10 ] [ 1.2212600000000001e-10 2.2261799999999999e-10 5.08282e-10 ] [ 1.21936e-10 2.4446900000000003e-10 7.82317e-10 ] [ 1.13886e-11 4.5556200000000004e-10 -1.79321e-11 ] [ 8.10082e-12 4.45019e-10 2.6631000000000003e-10 ] [ 1.79801e-11 4.814050000000001e-10 5.52672e-10 ] [ 9.4404e-12 4.5650800000000004e-10 7.94684e-10 ] [ -1.18564e-10 6.749279999999999e-10 1.7059700000000002e-11 ] [ -1.09246e-10 6.895959999999999e-10 2.51272e-10 ] [ -1.03539e-10 6.71682e-10 5.114029999999999e-10 ] [ -1.20238e-10 6.935170000000001e-10 7.66034e-10 ] [ 5.60211e-10 -6.1213600000000005e-12 3.39346e-11 ] [ 5.09974e-10 -1.03113e-11 2.43936e-10 ] [ 5.14881e-10 -7.0821800000000004e-12 5.59289e-10 ] [ 5.38392e-10 -4.3668400000000003e-11 7.94408e-10 ] [ 4.1445400000000004e-10 2.22131e-10 1.92156e-11 ] [ 4.3364000000000007e-10 2.2558500000000003e-10 2.6103600000000003e-10 ] [ 4.00854e-10 2.3114900000000002e-10 4.79378e-10 ] [ 4.1570200000000004e-10 2.19838e-10 8.05353e-10 ] [ 2.53922e-10 4.31267e-10 -1.30544e-11 ] [ 2.70029e-10 4.51493e-10 2.3599000000000003e-10 ] [ 2.72561e-10 4.39358e-10 4.81989e-10 ] [ 2.3496700000000004e-10 4.5672600000000005e-10 7.95271e-10 ] [ 1.36939e-10 6.77949e-10 1.3361500000000001e-11 ] [ 1.5139700000000001e-10 6.809179999999999e-10 2.2221099999999998e-10 ] [ 1.61838e-10 7.05731e-10 5.273170000000001e-10 ] [ 1.4023600000000002e-10 6.74712e-10 8.092549999999999e-10 ] [ 7.86412e-10 -1.8199499999999998e-11 -3.1195e-11 ] [ 7.87067e-10 -5.99447e-11 2.54961e-10 ] [ 7.76506e-10 -1.9760799999999998e-12 5.58805e-10 ] [ 7.79642e-10 2.8380400000000003e-12 7.68034e-10 ] [ 6.643110000000001e-10 2.16023e-10 3.5492300000000003e-13 ] [ 6.431e-10 1.9413700000000001e-10 2.84412e-10 ] [ 6.70356e-10 2.0474100000000002e-10 5.1608e-10 ] [ 6.74068e-10 1.76825e-10 7.94802e-10 ] [ 5.37861e-10 4.5050600000000005e-10 -3.841570000000001e-11 ] [ 5.18526e-10 4.8805e-10 2.50278e-10 ] [ 5.358780000000001e-10 4.63189e-10 5.44052e-10 ] [ 5.37541e-10 4.43597e-10 7.87672e-10 ] [ 4.13979e-10 6.76291e-10 -4.35976e-11 ] [ 3.98975e-10 6.69094e-10 2.6118100000000003e-10 ] [ 4.38282e-10 6.87505e-10 5.19986e-10 ] [ 3.92995e-10 7.04105e-10 8.086330000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5306334 0.2576841 0.001081 ] [ -0.5093333 -0.1374192 0.5443769 ] [ -0.3381789 -0.1959357 -0.7773874 ] [ -0.4221179 0.3147412 0.4992802 ] [ 0.0063987 -0.1512237 -2.7154589 ] [ 0.1232972 0.2632893 1.9236054 ] [ -0.7599402 -0.0844928 0.9613779 ] [ -0.0835562 -0.2597243 -0.2647284 ] [ -0.27891 -1.1092499 1.1822376 ] [ 0.9669609 -2.4276687 0.0114983 ] [ 0.5657453 -2.4145354 0.4482439 ] [ 0.0316513 -0.8737378 -0.583943 ] [ -0.4421112 0.1563062 1.1391773 ] [ -1.5939166 2.0540903 0.3128331 ] [ -1.4111847 2.246042 -0.0106102 ] [ 0.3092234 0.058521 -0.9302901 ] [ 1.8523917 -2.1863191 0.5354752 ] [ -0.0236404 -0.0014431 2.7185307 ] [ -0.6135812 0.4536498 -0.0580847 ] [ 0.6636341 -0.4439197 -2.9589547 ] [ -0.1928177 0.3684483 7.9910456 ] [ -0.2019534 -0.0863116 0.475316 ] [ 0.8289342 -0.0671835 0.1857445 ] [ -1.4428306 0.1583369 -8.6056062 ] [ -1.1693911 -0.1471646 8.7528191 ] [ -0.3791329 -0.0259879 -0.1990573 ] [ 0.5045251 -1.2189903 -0.9095152 ] [ -2.1465933 0.568033 -8.6505839 ] [ 0.2099593 -0.1370574 -0.7265922 ] [ -0.1631069 -0.391848 1.3527347 ] [ -0.428166 1.0307751 -0.4424495 ] [ -0.1975097 0.0259148 -0.2290077 ] [ -0.0631059 -0.2291124 -2.673698 ] [ 0.0223663 -0.2718838 2.5782582 ] [ 0.1058092 -0.0958006 -0.676499 ] [ -0.7231082 0.9461963 -0.3022062 ] [ -0.3009121 0.3816244 1.6573887 ] [ -3.0787713 1.0610731 -1.7197478 ] [ 0.039204 0.0969381 2.1838791 ] [ 0.2519637 -0.2747795 -2.7123321 ] [ 1.6568813 -1.0250579 7.2461909 ] [ -0.3857924 0.2500836 0.4182334 ] [ -0.1591816 0.2569407 0.4696908 ] [ 1.8864593 0.6402888 -6.8641052 ] [ -0.3817451 0.1428011 0.0399741 ] [ -0.1985598 -1.3492507 4.2269193 ] [ 0.1546225 -0.3413174 -0.2051038 ] [ 0.4399898 0.1899884 -4.8508901 ] [ 1.233965 -0.1806789 5.3053777 ] [ 0.5270737 2.1433404 0.3807566 ] [ 0.6747222 -0.3080203 -4.3964468 ] [ 3.1894147 -3.3505549 -1.1094508 ] [ 0.7407409 1.0412986 3.1426189 ] [ 3.5599941 -0.184986 -0.1784627 ] [ -0.3391092 0.6744476 0.1201661 ] [ -2.1635591 4.1787298 -2.6400223 ] [ 0.3439149 0.4153557 9.3830724 ] [ 1.842226 -1.8962969 -0.2087834 ] [ -0.0456115 -0.2147824 -0.4090151 ] [ 0.0656196 -0.0178287 -9.1760655 ] [ 2.3721571 -2.8133508 15.4962227 ] [ 0.1985635 1.5153903 0.9441853 ] [ -0.2741395 -0.0535147 -0.7899668 ] [ -1.9262075 3.0770998 -15.6532467 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.054521669295615e-09 4.128554405718893e-10 1.7319529270847999e-12 ] [ -8.160419054549126e-10 -2.2016982948903936e-10 8.721879420835797e-10 ] [ -5.418223272278612e-10 -3.1392359772008256e-10 -1.2455119175844978e-09 ] [ -6.763074306011923e-10 5.04270992242537e-10 7.999350636683482e-10 ] [ 1.0251847543512961e-11 -2.4228707665087295e-10 -4.3506447643232846e-09 ] [ 1.9754389125010176e-10 4.2183596096679744e-10 3.0819555995246323e-09 ] [ -1.217558421646076e-09 -1.3537238878593025e-10 1.5402971951338004e-09 ] [ -1.3387179016288896e-10 -4.161242013136455e-10 -4.241416533417907e-10 ] [ -4.46863081307328e-10 -1.777214256404738e-09 1.8941534429507023e-09 ] [ 1.5492421472077267e-09 -3.889554034187929e-09 1.842230743894464e-11 ] [ 9.064238929874823e-10 -3.868512167973977e-09 7.181658969962131e-10 ] [ 5.071097287792704e-11 -1.3998822758692262e-09 -9.355798224798145e-10 ] [ -7.083402284338329e-10 2.5043013932608896e-10 1.825163237006068e-09 ] [ -2.5537359120250255e-09 3.2910154556720584e-09 5.012138790323885e-10 ] [ -2.260967133970662e-09 3.598555981734874e-09 -1.699941438201216e-11 ] [ 4.954305020842867e-10 9.37609780258368e-11 -1.490489048781694e-09 ] [ 2.9678586743039678e-09 -3.5028693476284973e-09 8.579258464582043e-10 ] [ -3.787609618636032e-11 -2.31210108147648e-12 4.355566330467059e-09 ] [ -9.83065453602409e-10 7.268271035905959e-10 -9.306194836618177e-11 ] [ 1.0632590397856493e-09 -7.112377648525498e-10 -4.740768042346278e-09 ] [ -3.089280110164282e-10 5.903192522335047e-10 1.2803066436066708e-08 ] [ -3.235650159710707e-10 -1.382864276238413e-10 7.615401826921728e-10 ] [ 1.3280989954215513e-09 -1.0763983300351679e-10 2.975954953421856e-10 ] [ -2.3116694550948366e-09 2.5368367938994753e-10 -1.378770106145153e-08 ] [ -1.8735710809915948e-09 -2.357836815293837e-10 1.4023562128111698e-08 ] [ -6.074378685561044e-10 -4.163720580368832e-11 -3.1892495225957185e-10 ] [ 8.083383198267821e-10 -1.953037759641978e-09 -1.4572039897022362e-09 ] [ -3.439221599625921e-09 9.100891924428865e-10 -1.3859763280848887e-08 ] [ 3.363918817795334e-10 -2.1959016198763393e-10 -1.1641290356956377e-09 ] [ -2.6132606187116355e-10 -6.278097045072383e-10 2.167319910484902e-09 ] [ -6.859975550214528e-10 1.6514837665227823e-09 -7.088822447846496e-10 ] [ -3.164454237212218e-10 4.1520086692707845e-11 -3.6691078292318017e-10 ] [ -1.0110679761454274e-10 -3.6707853081537794e-10 -4.283736426679718e-09 ] [ 3.583476295379904e-11 -4.3560586793426305e-10 4.130825010425891e-09 ] [ 1.6952502650555138e-10 -1.5348948157861249e-10 -1.0838708817945792e-09 ] [ -1.1585470523487706e-09 1.515973590547463e-09 -4.84187708300809e-10 ] [ -4.821143315358317e-10 6.114296916068275e-10 2.655429426718105e-09 ] [ -4.932735397650023e-09 1.7000265137797804e-09 -2.755339718832234e-09 ] [ 6.28117322418432e-11 1.553119574847725e-10 3.4989600366737453e-09 ] [ 4.03690349430265e-10 -4.4024529077511364e-10 -4.345635078465368e-09 ] [ 2.654616482300711e-09 -1.6423238023463443e-09 1.1609677649833712e-08 ] [ -6.181075637623219e-10 4.006780971654989e-10 6.700837755176947e-10 ] [ -2.550370379815373e-10 4.1166438247198663e-10 7.525276187648487e-10 ] [ 3.0224409865507336e-09 1.025855745920087e-09 -1.0997508874151709e-08 ] [ -6.116230743249581e-10 2.2879258384452286e-10 6.404556845752128e-11 ] [ -3.181278693907239e-10 -2.1617379271380346e-09 6.772271280468301e-09 ] [ 2.47732554549648e-10 -5.468507585522419e-10 -3.2861251319723906e-10 ] [ 7.049413709504678e-10 3.043949727031987e-10 -7.771982708290174e-09 ] [ 1.977029873885472e-09 -2.894795094518611e-10 8.500152115453677e-09 ] [ 8.44465159578553e-10 3.4340098792961207e-09 6.100393227352973e-10 ] [ 1.0810241343747418e-09 -4.935029233918023e-10 -7.043884277550973e-09 ] [ 5.110005666375846e-09 -5.368180727486882e-09 -1.7775361336878567e-09 ] [ 1.1867977520503508e-09 1.6683442721917708e-09 5.035030529664214e-09 ] [ 5.703739317205937e-09 -2.9638024437530883e-10 -2.8592876562484416e-10 ] [ -5.433128321381914e-10 1.0805841766746703e-09 1.9252731603271487e-10 ] [ -3.4664038077390893e-09 6.695063190200261e-09 -4.229782007450644e-09 ] [ 5.510124123247699e-10 6.654731918560186e-10 1.5033339230553744e-08 ] [ 2.951571427429901e-09 -3.038202559275516e-09 -3.3450788229113477e-10 ] [ -7.307767893961921e-11 -3.4411933983931397e-10 -6.553144307741741e-10 ] [ 1.0513418898624768e-10 -2.856472631925696e-11 -1.4701677615029463e-08 ] [ 3.800614646484728e-09 -4.5074848778689764e-09 2.4827685720650253e-08 ] [ 3.181337974442208e-10 2.4279229100470984e-09 1.5127516133630342e-09 ] [ -4.3921989773780157e-10 -8.574000120912576e-11 -1.2656663381681894e-09 ] [ -3.0861246233096162e-09 4.930057359428356e-09 -2.5079265902354754e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -236.28425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.785691012132624e-17 } }