{ "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" [ 10.462 0 0 ] "si-unit" "m" "si-value" [ 1.0462e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.28488 9.13454 0 ] "si-unit" "m" "si-value" [ -5.284880000000001e-10 9.13454e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.191991 -0.318531 10.1183 ] "si-unit" "m" "si-value" [ -1.91991e-11 -3.18531e-11 1.01183e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0545294 0.0434321 -0.359543 ] [ 0.191516 0.15742 2.66907 ] [ -0.0498374 -0.163282 5.10339 ] [ -0.111133 -0.220249 7.7821 ] [ -1.65417 2.19148 0.1266 ] [ -1.71344 2.3907 2.94287 ] [ -1.61433 2.26441 5.06214 ] [ -1.41461 2.06057 8.05302 ] [ -2.33376 4.84973 -0.0434069 ] [ -2.69129 4.47457 2.7521 ] [ -2.68026 4.39619 5.07393 ] [ -3.02986 4.44429 7.83548 ] [ -4.16501 6.98533 -0.0949225 ] [ -3.90346 6.82145 2.50094 ] [ -4.09006 6.66741 5.40742 ] [ -3.96471 6.32558 8.00081 ] [ 2.63774 0.0156257 0.034248 ] [ 2.44176 -0.182013 2.59774 ] [ 2.60543 0.145544 5.23229 ] [ 2.22014 -0.105892 7.78768 ] [ 1.22857 2.34236 0.458152 ] [ 1.55503 2.21409 2.48253 ] [ 1.26356 2.06401 5.30541 ] [ 1.14125 1.93244 8.12618 ] [ 0.0224506 4.74064 0.414951 ] [ -0.0695715 4.45966 2.72667 ] [ 0.101049 4.23528 4.98341 ] [ -0.257942 4.39535 8.15559 ] [ -1.34491 6.83813 0.215348 ] [ -1.54433 6.79131 2.84298 ] [ -1.66322 6.59203 5.71615 ] [ -1.45866 6.61807 7.97744 ] [ 5.27634 0.0118868 0.126835 ] [ 5.61544 -0.272893 2.49357 ] [ 5.34281 -0.00349882 5.50174 ] [ 5.48829 -0.359834 8.0679 ] [ 3.92799 2.12221 0.298465 ] [ 4.04745 2.1961 2.61107 ] [ 3.90092 1.92857 5.00422 ] [ 3.83669 2.1744 8.28071 ] [ 2.56674 4.58975 0.118735 ] [ 2.56675 4.52257 2.43174 ] [ 2.54307 4.42372 5.41372 ] [ 2.54242 4.37458 8.38507 ] [ 1.07852 7.09899 0.142502 ] [ 1.09704 6.41728 2.94603 ] [ 1.29322 6.68691 5.12132 ] [ 1.10132 6.44508 8.20371 ] [ 7.85322 0.0473156 0.299128 ] [ 7.84375 -0.0568653 2.61957 ] [ 7.84405 -0.116983 5.51813 ] [ 7.53737 -0.0425946 7.5592 ] [ 6.46841 2.29615 0.0233786 ] [ 6.17169 2.01146 2.69773 ] [ 6.52116 2.1771 5.38561 ] [ 6.48121 2.07127 8.16976 ] [ 5.21876 4.58442 0.205565 ] [ 5.2259 4.51189 2.85522 ] [ 5.51845 4.40239 5.3019 ] [ 5.1714 4.30614 7.95025 ] [ 4.00724 6.60465 0.582596 ] [ 3.82148 6.76846 3.00718 ] [ 3.67279 6.99373 5.45921 ] [ 3.89546 6.56654 8.12106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.45294e-12 4.3432100000000004e-12 -3.59543e-11 ] [ 1.91516e-11 1.5742e-11 2.6690700000000004e-10 ] [ -4.98374e-12 -1.63282e-11 5.10339e-10 ] [ -1.11133e-11 -2.20249e-11 7.7821e-10 ] [ -1.65417e-10 2.19148e-10 1.266e-11 ] [ -1.71344e-10 2.3907e-10 2.94287e-10 ] [ -1.61433e-10 2.2644099999999998e-10 5.062140000000001e-10 ] [ -1.41461e-10 2.0605699999999998e-10 8.05302e-10 ] [ -2.33376e-10 4.849730000000001e-10 -4.34069e-12 ] [ -2.69129e-10 4.47457e-10 2.7521e-10 ] [ -2.68026e-10 4.39619e-10 5.07393e-10 ] [ -3.02986e-10 4.44429e-10 7.83548e-10 ] [ -4.1650099999999997e-10 6.985330000000001e-10 -9.492250000000001e-12 ] [ -3.90346e-10 6.82145e-10 2.50094e-10 ] [ -4.0900600000000003e-10 6.66741e-10 5.407420000000001e-10 ] [ -3.9647100000000004e-10 6.32558e-10 8.00081e-10 ] [ 2.63774e-10 1.56257e-12 3.4248e-12 ] [ 2.44176e-10 -1.82013e-11 2.59774e-10 ] [ 2.6054300000000004e-10 1.45544e-11 5.232290000000001e-10 ] [ 2.2201399999999997e-10 -1.0589200000000001e-11 7.78768e-10 ] [ 1.22857e-10 2.3423600000000003e-10 4.5815200000000005e-11 ] [ 1.55503e-10 2.2140900000000003e-10 2.48253e-10 ] [ 1.26356e-10 2.0640100000000001e-10 5.30541e-10 ] [ 1.1412500000000002e-10 1.93244e-10 8.12618e-10 ] [ 2.24506e-12 4.74064e-10 4.14951e-11 ] [ -6.95715e-12 4.459660000000001e-10 2.7266700000000003e-10 ] [ 1.01049e-11 4.2352800000000007e-10 4.983410000000001e-10 ] [ -2.57942e-11 4.3953499999999997e-10 8.15559e-10 ] [ -1.34491e-10 6.83813e-10 2.15348e-11 ] [ -1.54433e-10 6.79131e-10 2.8429799999999997e-10 ] [ -1.66322e-10 6.592030000000001e-10 5.71615e-10 ] [ -1.45866e-10 6.618070000000001e-10 7.97744e-10 ] [ 5.27634e-10 1.18868e-12 1.2683500000000001e-11 ] [ 5.61544e-10 -2.72893e-11 2.4935700000000003e-10 ] [ 5.34281e-10 -3.49882e-13 5.50174e-10 ] [ 5.48829e-10 -3.59834e-11 8.067900000000001e-10 ] [ 3.92799e-10 2.12221e-10 2.98465e-11 ] [ 4.0474500000000003e-10 2.1961e-10 2.6110699999999996e-10 ] [ 3.90092e-10 1.92857e-10 5.00422e-10 ] [ 3.83669e-10 2.1744e-10 8.280709999999999e-10 ] [ 2.56674e-10 4.5897500000000006e-10 1.18735e-11 ] [ 2.56675e-10 4.52257e-10 2.4317400000000003e-10 ] [ 2.5430700000000005e-10 4.4237200000000006e-10 5.41372e-10 ] [ 2.54242e-10 4.37458e-10 8.385070000000001e-10 ] [ 1.07852e-10 7.09899e-10 1.42502e-11 ] [ 1.09704e-10 6.41728e-10 2.94603e-10 ] [ 1.2932200000000002e-10 6.68691e-10 5.12132e-10 ] [ 1.1013200000000002e-10 6.445080000000001e-10 8.203709999999999e-10 ] [ 7.85322e-10 4.73156e-12 2.9912800000000004e-11 ] [ 7.84375e-10 -5.6865300000000004e-12 2.61957e-10 ] [ 7.84405e-10 -1.1698300000000002e-11 5.51813e-10 ] [ 7.53737e-10 -4.25946e-12 7.5592e-10 ] [ 6.46841e-10 2.29615e-10 2.33786e-12 ] [ 6.17169e-10 2.0114600000000002e-10 2.69773e-10 ] [ 6.52116e-10 2.1771e-10 5.38561e-10 ] [ 6.48121e-10 2.07127e-10 8.169760000000001e-10 ] [ 5.21876e-10 4.58442e-10 2.05565e-11 ] [ 5.225900000000001e-10 4.51189e-10 2.8552200000000003e-10 ] [ 5.51845e-10 4.4023899999999996e-10 5.3019e-10 ] [ 5.1714e-10 4.30614e-10 7.95025e-10 ] [ 4.0072400000000007e-10 6.604650000000001e-10 5.82596e-11 ] [ 3.8214800000000005e-10 6.768460000000001e-10 3.00718e-10 ] [ 3.67279e-10 6.993730000000001e-10 5.45921e-10 ] [ 3.8954600000000003e-10 6.56654e-10 8.121060000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0125159999999997 1.0090623999999997 11.142284599999998 ] [ -2.6368895999999995 -2.0051944999999995 0.6967711999999999 ] [ 0.9011807999999999 0.7921075999999999 0.47056409999999993 ] [ -0.9381699999999998 0.18066039999999997 -10.709027799999998 ] [ 1.5301103999999999 3.2383021999999997 3.3834362999999996 ] [ 0.5542036999999999 -2.3381154999999993 -5.280660299999999 ] [ 3.0283235999999993 -1.4165103999999997 4.0966230999999995 ] [ 0.9008379999999999 -1.0047046999999998 -2.2915086999999996 ] [ -1.7290677999999997 -5.329152599999999 2.6618691999999995 ] [ -0.44547409999999993 3.1239709999999996 -2.6033216999999995 ] [ 2.6112667999999997 1.5554721999999999 3.2531788999999995 ] [ 7.007717399999999 -5.027697399999999 -3.7679759999999995 ] [ 0.40309709999999993 0.9050638999999999 8.470757099999998 ] [ -5.255626999999999 -0.10740389999999998 -0.45326869999999997 ] [ -0.8139336999999999 0.9340129999999999 0.7138451999999998 ] [ -2.0373998999999996 5.876428499999999 -7.080030299999999 ] [ -0.24120539999999996 -0.8226032999999999 1.5500653999999998 ] [ 3.1103940999999997 0.7738443999999999 0.6212131999999999 ] [ 0.5664750999999999 -5.378538599999999 0.42695619999999995 ] [ 2.7381871999999996 -0.23822169999999998 -1.9596823999999997 ] [ -0.5239027999999999 -0.5101659999999999 -7.673401899999999 ] [ -0.4035541999999999 0.20082139999999998 8.566455399999999 ] [ -0.12036949999999999 1.9368793999999998 2.7736819999999995 ] [ 0.32655899999999993 3.0202734999999996 -4.038094399999999 ] [ 1.6553083999999998 -0.6209429999999999 -0.6917868999999999 ] [ -1.5592780999999998 -2.7147828999999994 -0.6214537999999998 ] [ -0.7852477999999999 0.8676082999999999 2.3616960999999996 ] [ -0.44623489999999993 -1.4952931999999999 -1.1913567999999999 ] [ 1.0545584999999997 4.205251299999999 2.8722516999999996 ] [ 2.8476848999999995 -0.7057717999999998 -0.09364909999999999 ] [ -0.14038449999999997 0.6328189999999999 -2.6985972999999994 ] [ 0.7787809999999998 0.19894719999999996 -0.42319969999999996 ] [ -1.9364567999999998 1.3705650999999999 3.1398503999999994 ] [ -2.8722893999999997 -2.9519277999999995 0.18563499999999997 ] [ -1.2599650999999998 -3.3550441999999996 0.5908702999999998 ] [ -5.653218999999999 -1.2336476999999997 -3.9268347999999995 ] [ -0.9648491999999999 0.35059289999999993 2.4148689999999995 ] [ -6.120498699999999 2.1309804999999997 1.7587009999999998 ] [ 0.8765255999999999 5.096216799999999 -0.20039489999999996 ] [ -1.3195710999999999 -0.24158019999999997 -4.563729899999999 ] [ -0.10715589999999998 -1.5986434999999999 14.906838199999997 ] [ 1.5486738999999998 -0.6730152999999999 1.5104771999999997 ] [ 1.3885079999999999 -0.14807199999999998 0.08925009999999999 ] [ 0.8024268999999999 0.5066920999999999 -16.710065299999997 ] [ 1.3589908999999998 -0.6207543999999999 4.389326499999999 ] [ 1.2239467999999998 3.8982883999999998 -1.5371305999999998 ] [ -2.0084881999999995 0.8652966999999999 3.0127640999999996 ] [ 2.8440064999999994 -0.25100029999999995 -5.443294699999999 ] [ 1.7716211999999998 -1.7786531999999997 1.0212473999999998 ] [ 4.033272899999999 0.48221239999999993 0.11080139999999998 ] [ -0.5724610999999998 2.1264809999999996 -5.668772799999999 ] [ 4.766917599999999 0.8197103999999998 3.4344486999999995 ] [ -2.0740135999999993 -0.5659732999999999 11.686126999999999 ] [ 6.840382199999999 0.9814785999999999 1.2822648999999997 ] [ -2.0443741999999996 -0.6987945999999999 0.05684229999999999 ] [ -0.07471599999999999 1.2705082999999997 -12.285412699999998 ] [ 0.14172269999999998 -1.3417599999999998 2.1731030999999996 ] [ -0.8993458999999999 0.09310929999999999 -0.6321798999999999 ] [ -3.4796752999999994 0.06232819999999999 1.0042476999999999 ] [ -4.240260599999999 -0.7789130999999999 -2.4617845999999997 ] [ -1.8042469999999997 1.1420314999999999 -0.8151459999999999 ] [ 0.42237919999999995 -0.09650549999999998 -0.35524799999999995 ] [ 2.0460493999999994 -5.018088299999999 1.8811159999999998 ] [ -2.5592674999999994 0.41945489999999996 -2.5334198999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2244060841859325e-09 1.6166961862083375e-09 1.7851907888419877e-08 ] [ -4.224762868750663e-09 -3.212675748056745e-09 1.1163505266867608e-09 ] [ 1.4438508088738406e-09 1.269096277877998e-09 7.539267996077932e-10 ] [ -1.5031140403359358e-09 2.894498691843763e-10 -1.7157753972657255e-08 ] [ 2.451507110122936e-09 5.188332075925205e-09 5.420862537826055e-09 ] [ 8.879322113008568e-10 -3.746073990830101e-09 -8.460550475046713e-09 ] [ 4.85190927213689e-09 -2.269499846000056e-09 6.56351375504922e-09 ] [ 1.4433015827282302e-09 -1.6097143811478774e-09 -3.6714016654998006e-09 ] [ -2.77027200493809e-09 -8.538243704395532e-09 4.264784599867599e-09 ] [ -7.137281881919212e-10 5.005153300257196e-09 -4.170981164161311e-09 ] [ 4.183710617631229e-09 2.4921411931443416e-09 5.212167176859861e-09 ] [ 1.122760098345336e-08 -8.055259230736945e-09 -6.0369630549355e-09 ] [ 6.458327495322796e-10 1.450072220910069e-09 1.3571648986095605e-08 ] [ -8.42044270704524e-09 -1.720800175627411e-10 -7.262165140804089e-10 ] [ -1.3040655450212409e-09 1.4964537921232703e-09 1.1437060903103e-09 ] [ -3.2642744870002575e-09 9.415076356502812e-09 -1.134345902121561e-08 ] [ -3.8645365269071226e-10 -1.3179557754529285e-09 2.483478544591e-09 ] [ 4.983400708494257e-09 1.2398354058170034e-09 9.952932655723545e-10 ] [ 9.075931614853419e-10 -8.617368798990362e-09 6.840592417456089e-10 ] [ 4.387059515213813e-09 -3.8167323830723133e-10 -3.1397573254732336e-09 ] [ -8.393848177316581e-10 -8.173760379270527e-10 -1.2294145126182299e-08 ] [ -6.465651044656473e-10 3.217513520363251e-10 1.3724974565005911e-08 ] [ -1.928531987573856e-10 3.1032228919891314e-09 4.443928453933785e-09 ] [ 5.232051951118272e-10 4.839011590121788e-09 -6.469740440263403e-09 ] [ 2.6520964186938547e-09 -9.948603574494144e-10 -1.1083647977557074e-09 ] [ -2.4982389171454444e-09 -4.349561692927623e-09 -9.956787492673188e-10 ] [ -1.258105666694634e-09 1.3900617342720325e-09 3.7838542768545386e-09 ] [ -7.149471241650258e-10 -2.3957238062812184e-09 -1.9087640119911013e-09 ] [ 1.6895889739659165e-09 6.737555317448805e-09 4.601854522793055e-09 ] [ 4.562494170185186e-09 -1.1307710775799333e-09 -1.5004239857896127e-10 ] [ -2.2492076382269754e-10 1.013887806998035e-09 -4.323629503014003e-09 ] [ 1.2477447109232446e-09 3.187485526136217e-10 -6.780406652695737e-10 ] [ -3.102545812149181e-09 2.195887360504414e-09 5.030594903689528e-09 ] [ -4.6019149248516594e-09 -4.729509707449578e-09 2.9742005700220797e-10 ] [ -2.018686626243934e-09 -5.375373378990639e-09 9.46678580585082e-10 ] [ -9.057455314062354e-09 -1.9765215032436918e-09 -6.291482910303843e-09 ] [ -1.5458588308375833e-09 5.617117477984722e-10 3.8690466540946745e-09 ] [ -9.806119924776791e-09 3.414207136480694e-09 2.8177496251775808e-09 ] [ 1.4043488238526925e-09 8.165039411488187e-09 -3.2106802370755387e-10 ] [ -2.114185965903339e-09 -3.870541484881881e-10 -7.311901349425921e-09 ] [ -1.716826777607827e-10 -2.5613092406938846e-09 2.388338765408835e-08 ] [ 2.481249115823157e-09 -1.078289379100698e-09 2.4200512560914454e-09 ] [ 2.2246350553937664e-09 -2.3723749659509757e-10 1.4299442362406206e-10 ] [ 1.2856296190810195e-09 8.118102365640555e-10 -2.6772475955701334e-08 ] [ 2.1773434478599503e-09 -9.945581869387315e-10 7.0324762993578905e-09 ] [ 1.960978948062973e-09 6.245746535615838e-09 -2.4627547104362762e-09 ] [ -3.2179528371926738e-09 1.3863581427953913e-09 4.826980205005553e-09 ] [ 4.556600723703234e-09 -4.021468124737862e-10 -8.721119508464548e-09 ] [ 2.8384500675536406e-09 -2.8497165735511064e-09 1.6362187083327856e-09 ] [ 6.462015545686215e-09 7.725894335398579e-10 1.775234126319091e-10 ] [ -9.171837907374506e-10 3.4069981427754043e-09 -9.082375248786954e-09 ] [ 7.637443932000045e-09 1.313320838706616e-09 5.5025934124769524e-09 ] [ -3.3229361011412418e-09 -9.067891892570246e-10 1.872323946709964e-08 ] [ 1.0959500438176468e-08 1.5725020667355148e-09 2.0544148444524496e-09 ] [ -3.275448547406703e-09 -1.1195923708612876e-09 9.107140413249983e-11 ] [ -1.197082283996928e-10 2.0355786947923522e-09 -1.9683401004819403e-08 ] [ 2.2706479657665213e-10 -2.149736502724608e-09 3.481694981408004e-09 ] [ -1.4409109749923346e-09 1.4917754363905343e-10 -1.0128638559196818e-09 ] [ -5.575054413635226e-09 9.986078485654655e-11 1.608982186432172e-09 ] [ -6.79364639941938e-09 -1.2479563584548525e-09 -3.944213731565479e-09 ] [ -2.8907223615485374e-09 1.829736169517155e-09 -1.3060078637386367e-09 ] [ 6.767260793522073e-10 -1.5461885587861436e-10 -5.691700401859584e-10 ] [ 3.2781325136818665e-09 -8.039863755370015e-09 3.0138800762128126e-09 ] [ -4.1003985548732634e-09 6.720408342600019e-10 -4.058986134449473e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.46561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.500204927908107e-17 } }