{ "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" [ 10.4694 0 0 ] "si-unit" "m" "si-value" [ 1.04694e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.30232 9.08443 0 ] "si-unit" "m" "si-value" [ -5.302320000000001e-10 9.084429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.426787 0.0377515 10.129 ] "si-unit" "m" "si-value" [ 4.267870000000001e-11 3.775150000000001e-12 1.0129e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.124766 -0.0254336 0.0301791 ] [ 0.420976 -0.159557 2.5311 ] [ 0.274807 -0.02529 5.30948 ] [ 0.213792 -0.0234977 7.58212 ] [ -1.202 2.37613 -0.080569 ] [ -1.15815 1.84991 2.69093 ] [ -0.991192 2.23964 5.61161 ] [ -0.97293 2.29898 7.60055 ] [ -2.91373 4.53149 0.0835674 ] [ -2.47467 4.61494 2.42585 ] [ -2.20528 4.48473 5.38766 ] [ -2.2849 4.61478 7.5475 ] [ -3.9574 6.8338 0.172976 ] [ -3.90761 6.93753 2.48565 ] [ -3.64507 6.95312 4.73982 ] [ -3.5426 6.91159 7.78603 ] [ 2.52795 -0.310365 -0.369098 ] [ 2.69324 -0.180435 2.80636 ] [ 2.92512 0.0462496 4.76527 ] [ 3.01062 0.000193476 7.78312 ] [ 1.17991 2.44324 -0.367804 ] [ 1.3379 2.45731 2.6923 ] [ 1.54349 2.25116 5.08137 ] [ 1.65192 2.37104 8.00237 ] [ 0.0723763 4.58497 -0.0303845 ] [ 0.201293 4.60391 2.6561 ] [ 0.41827 4.45556 4.65494 ] [ 0.691588 4.65299 7.63588 ] [ -1.10421 6.82646 0.0167637 ] [ -0.967401 7.06783 2.49662 ] [ -0.845113 6.78562 5.32897 ] [ -0.82021 7.12449 7.28985 ] [ 5.32205 -0.118658 -0.348466 ] [ 5.81019 -0.0182185 2.34478 ] [ 5.54606 -0.0614118 4.94528 ] [ 5.57733 -0.09279 7.37554 ] [ 4.01914 2.22742 -0.502342 ] [ 3.87092 2.14677 2.31781 ] [ 4.19913 2.17952 4.72485 ] [ 4.25309 2.4327 7.64504 ] [ 2.70908 4.53405 0.098187 ] [ 2.79206 4.554 2.12947 ] [ 3.06724 4.75998 5.21523 ] [ 2.96735 4.38657 7.87584 ] [ 1.26698 7.07182 -0.0336983 ] [ 1.37352 7.04775 2.13236 ] [ 1.51659 7.20053 5.19239 ] [ 1.90047 6.72082 7.20278 ] [ 8.04564 -0.277691 -0.235238 ] [ 7.99699 -0.0739306 2.1822 ] [ 8.04545 0.116206 4.92256 ] [ 8.221 -0.135646 7.47738 ] [ 6.49702 2.15024 -0.402096 ] [ 6.6679 1.98011 2.41643 ] [ 6.83305 2.17661 4.80135 ] [ 6.96826 1.97425 7.32397 ] [ 5.63388 4.7883 -0.450782 ] [ 5.53199 4.46923 2.29328 ] [ 5.5418 4.49605 4.84509 ] [ 5.75163 4.66616 7.91371 ] [ 3.98872 6.71969 -0.366761 ] [ 3.98944 6.64268 2.15287 ] [ 4.28251 6.79592 5.29386 ] [ 4.26871 6.64573 7.50153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.24766e-11 -2.54336e-12 3.01791e-12 ] [ 4.2097600000000006e-11 -1.59557e-11 2.5311e-10 ] [ 2.7480700000000002e-11 -2.5290000000000002e-12 5.30948e-10 ] [ 2.1379200000000002e-11 -2.34977e-12 7.58212e-10 ] [ -1.202e-10 2.37613e-10 -8.0569e-12 ] [ -1.15815e-10 1.84991e-10 2.6909299999999997e-10 ] [ -9.91192e-11 2.23964e-10 5.61161e-10 ] [ -9.7293e-11 2.2989799999999999e-10 7.60055e-10 ] [ -2.91373e-10 4.5314899999999997e-10 8.356740000000001e-12 ] [ -2.47467e-10 4.61494e-10 2.42585e-10 ] [ -2.2052800000000002e-10 4.4847300000000003e-10 5.387660000000001e-10 ] [ -2.2849e-10 4.61478e-10 7.547500000000001e-10 ] [ -3.9573999999999997e-10 6.833800000000001e-10 1.72976e-11 ] [ -3.90761e-10 6.93753e-10 2.48565e-10 ] [ -3.6450700000000004e-10 6.953120000000001e-10 4.73982e-10 ] [ -3.5426e-10 6.91159e-10 7.78603e-10 ] [ 2.52795e-10 -3.10365e-11 -3.69098e-11 ] [ 2.69324e-10 -1.80435e-11 2.8063600000000004e-10 ] [ 2.92512e-10 4.6249600000000005e-12 4.76527e-10 ] [ 3.01062e-10 1.93476e-14 7.783120000000001e-10 ] [ 1.17991e-10 2.4432399999999997e-10 -3.6780400000000006e-11 ] [ 1.3379e-10 2.45731e-10 2.6923e-10 ] [ 1.54349e-10 2.25116e-10 5.08137e-10 ] [ 1.6519200000000002e-10 2.3710399999999997e-10 8.002370000000001e-10 ] [ 7.237630000000001e-12 4.5849700000000005e-10 -3.03845e-12 ] [ 2.0129300000000002e-11 4.60391e-10 2.6561e-10 ] [ 4.1827e-11 4.4555600000000003e-10 4.65494e-10 ] [ 6.91588e-11 4.6529900000000003e-10 7.63588e-10 ] [ -1.10421e-10 6.82646e-10 1.67637e-12 ] [ -9.67401e-11 7.06783e-10 2.49662e-10 ] [ -8.45113e-11 6.78562e-10 5.328970000000001e-10 ] [ -8.2021e-11 7.12449e-10 7.28985e-10 ] [ 5.32205e-10 -1.18658e-11 -3.48466e-11 ] [ 5.81019e-10 -1.82185e-12 2.3447800000000004e-10 ] [ 5.54606e-10 -6.14118e-12 4.94528e-10 ] [ 5.57733e-10 -9.279e-12 7.37554e-10 ] [ 4.0191400000000005e-10 2.2274200000000002e-10 -5.02342e-11 ] [ 3.87092e-10 2.14677e-10 2.3178100000000003e-10 ] [ 4.1991300000000003e-10 2.1795200000000002e-10 4.72485e-10 ] [ 4.2530900000000005e-10 2.4327000000000003e-10 7.64504e-10 ] [ 2.7090800000000003e-10 4.53405e-10 9.8187e-12 ] [ 2.7920600000000003e-10 4.5540000000000005e-10 2.12947e-10 ] [ 3.06724e-10 4.75998e-10 5.21523e-10 ] [ 2.96735e-10 4.38657e-10 7.87584e-10 ] [ 1.26698e-10 7.07182e-10 -3.36983e-12 ] [ 1.3735200000000001e-10 7.04775e-10 2.13236e-10 ] [ 1.5165900000000001e-10 7.20053e-10 5.192389999999999e-10 ] [ 1.90047e-10 6.72082e-10 7.20278e-10 ] [ 8.045640000000001e-10 -2.7769100000000002e-11 -2.35238e-11 ] [ 7.99699e-10 -7.39306e-12 2.1822e-10 ] [ 8.045450000000001e-10 1.1620600000000002e-11 4.92256e-10 ] [ 8.221000000000001e-10 -1.3564599999999999e-11 7.47738e-10 ] [ 6.497020000000001e-10 2.1502400000000003e-10 -4.0209600000000004e-11 ] [ 6.6679e-10 1.98011e-10 2.4164300000000003e-10 ] [ 6.83305e-10 2.1766100000000004e-10 4.80135e-10 ] [ 6.96826e-10 1.9742500000000002e-10 7.32397e-10 ] [ 5.63388e-10 4.7883e-10 -4.50782e-11 ] [ 5.531990000000001e-10 4.4692299999999997e-10 2.2932800000000003e-10 ] [ 5.5418e-10 4.4960500000000007e-10 4.84509e-10 ] [ 5.751629999999999e-10 4.66616e-10 7.91371e-10 ] [ 3.98872e-10 6.71969e-10 -3.66761e-11 ] [ 3.98944e-10 6.642680000000001e-10 2.1528700000000001e-10 ] [ 4.2825100000000005e-10 6.79592e-10 5.293859999999999e-10 ] [ 4.2687099999999995e-10 6.64573e-10 7.50153e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4697106000000001 3.677827600000001 2.8082997000000005 ] [ -4.456738600000001 5.435898600000001 -1.6001601000000005 ] [ -0.14584170000000002 0.30703830000000004 -0.5098741000000001 ] [ 2.5543791000000002 0.07295360000000001 -0.33812240000000005 ] [ -4.804533200000001 -0.28028700000000006 4.329594700000001 ] [ 0.7643165000000002 4.213193000000001 -1.0559334000000002 ] [ 2.9027120000000006 3.475712900000001 -8.002748600000002 ] [ 0.3716469000000001 2.4486849000000004 5.444620800000001 ] [ 12.810096700000004 -3.096469100000001 2.8897098000000003 ] [ 3.372326800000001 -1.1728438000000003 1.6732121000000004 ] [ -0.7972808000000002 1.4927153000000002 -3.4036267000000007 ] [ 6.123917600000002 0.14800390000000002 -1.9374563000000005 ] [ 3.377569900000001 2.3192183000000006 1.8627636000000005 ] [ -0.08631900000000002 -5.525602600000001 -0.5563238000000001 ] [ 0.9933816000000002 -7.518966000000002 5.845125500000001 ] [ 3.228595500000001 3.072293000000001 -8.540900000000002 ] [ 3.315901100000001 4.999148500000001 6.826361000000002 ] [ 6.946648400000002 5.138624000000001 -7.849483500000002 ] [ 1.0556423000000001 0.14058230000000005 5.897689300000001 ] [ -1.7966325000000005 2.8762186000000005 -5.631819900000001 ] [ 0.47857140000000026 -7.508982900000002 19.485650500000002 ] [ 0.6557549000000001 -3.149882100000001 -2.1446944000000006 ] [ 0.9312899000000002 0.6434111000000001 0.9362708000000002 ] [ -0.8405323000000003 -6.488177700000001 -17.414917600000003 ] [ -2.7468288000000003 2.5462622000000006 1.9055457000000005 ] [ -2.8298557000000004 0.8646468000000003 -4.582650400000001 ] [ -0.289405 3.745121100000001 6.790126400000002 ] [ -6.579423100000001 3.688373000000001 -2.6272924000000004 ] [ -4.612701100000001 -3.0712642000000008 0.29810190000000003 ] [ -4.465897900000001 -2.1069943000000007 0.5760417000000001 ] [ -5.831212500000001 -6.6254316000000015 -7.3250904000000014 ] [ -5.115002200000001 -6.734417800000002 8.489649500000002 ] [ -2.8448166000000006 3.909934200000001 0.013931100000000004 ] [ -8.736977800000002 4.6236747000000005 2.8004109000000006 ] [ -3.621737300000001 4.730203000000001 -3.8815679000000007 ] [ -0.9250464000000003 7.191268900000002 4.586523700000001 ] [ 2.4743097000000005 -2.5392682000000004 10.904097000000002 ] [ -0.15121180000000004 -0.05723380000000002 -1.5372667000000004 ] [ -0.8226873000000002 2.7685829000000006 0.5222611000000001 ] [ 2.2321281000000006 -0.6900922000000002 -8.375354700000003 ] [ 0.7032413000000001 -0.3021246000000001 -2.1576423000000005 ] [ 1.0163611000000001 -0.7127581000000001 4.403260600000001 ] [ -2.0340181000000004 -4.6875480000000005 -2.7495126000000005 ] [ 3.408321000000001 4.334486100000001 -6.284758600000002 ] [ 1.5600204000000004 -5.704977700000001 -4.077180800000001 ] [ 1.9407813000000005 -8.039440400000002 3.6999891000000007 ] [ 4.158823600000001 -7.8522592000000015 -10.032910400000002 ] [ -3.039495600000001 0.4220126000000002 5.497930000000001 ] [ 2.4941912000000004 4.575386700000001 -0.7161798000000001 ] [ 7.962713100000002 -0.023198700000000003 0.11129710000000002 ] [ 4.879056100000001 -1.0704113000000002 -3.295974700000001 ] [ 0.23942100000000008 1.3111384000000001 3.771877000000001 ] [ 1.3961899000000002 -1.2064094000000003 1.7060805000000006 ] [ -0.8209591000000003 7.645095800000002 -0.8589138000000002 ] [ -0.6030539000000001 3.656907200000001 -1.1117365000000001 ] [ -3.886026100000001 3.029477700000001 1.7711782000000005 ] [ -9.176901200000001 -6.129988200000001 15.417452200000003 ] [ -2.8805997000000003 -3.3964795000000008 4.537014700000001 ] [ 2.1862786000000005 -0.3445327000000001 -1.4155953000000001 ] [ -1.7834034000000007 -5.896414300000001 -18.149362000000004 ] [ -4.5006124000000005 0.9113587000000002 4.456398200000001 ] [ -0.28813570000000005 0.9292519000000002 3.198214300000001 ] [ 3.549724200000001 0.4242161000000001 -4.749013500000001 ] [ 1.8992865000000005 0.16353310000000001 -0.5426150000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.525593418619406e-10 5.892529396052976e-09 4.499392123539655e-09 ] [ -7.140482389936926e-09 8.709269649959453e-09 -2.563739101756991e-09 ] [ -2.336641620777274e-10 4.919295859501768e-10 -8.169083625714414e-10 ] [ 4.092566474680146e-09 1.168845523231949e-10 -5.41731804248786e-10 ] [ -7.697710766897412e-09 -4.490692785141697e-10 6.936775405879592e-09 ] [ 1.2245700271916835e-09 6.750279323518217e-09 -1.6917918066018552e-09 ] [ 4.650657303315611e-09 5.56870594899297e-09 -1.2821816709059934e-08 ] [ 5.954439743727958e-10 3.923225698485986e-09 8.723244154881394e-09 ] [ 2.052403744292724e-08 -4.9610903990496195e-09 4.6298254824566446e-09 ] [ 5.403063156657279e-09 -1.8791029162102315e-09 2.6807813082596725e-09 ] [ -1.277384657972721e-09 2.3915935551704586e-09 -5.453211124670656e-09 ] [ 9.81159760642565e-09 2.3712838836722116e-10 -3.104147187681672e-09 ] [ 5.4114635288977955e-09 3.715797338791522e-09 2.9844762899972437e-09 ] [ -1.3829828373083524e-10 -8.852991301551695e-09 -8.913289859546153e-10 ] [ 1.5915727750528978e-09 -1.2046711537790096e-08 9.364923421741912e-09 ] [ 5.172780228120088e-09 4.922356016847496e-09 -1.3684030300590724e-08 ] [ 5.312659219305005e-09 8.009518850607392e-09 1.0937035999340913e-08 ] [ 1.112975765939773e-08 8.232983235881781e-09 -1.257625894905536e-08 ] [ 1.6913254129875402e-09 2.2523767435829192e-10 9.44913991320232e-09 ] [ -2.878522587669457e-09 4.608210197230108e-09 -9.023170176336196e-09 ] [ 7.667559084635256e-10 -1.2030716848366989e-08 3.1219453672179835e-08 ] [ 1.0506351697550422e-09 -5.04666745889641e-09 -3.4361792264406845e-09 ] [ 1.4920909049671704e-09 1.030858221983211e-09 1.500071186497713e-09 ] [ -1.3466812000872524e-09 -1.0395206622535918e-08 -2.790177383187845e-08 ] [ -4.4009048847001194e-09 4.079561767266775e-09 3.0530207704059713e-09 ] [ -4.5339286427776196e-09 1.385316888209534e-09 -7.342215332179771e-09 ] [ -4.6367792494262407e-10 6.00034546848478e-09 1.0878981770356873e-08 ] [ -1.0541397869171463e-08 5.90942498938996e-09 -4.209386459285522e-09 ] [ -7.390361861158444e-09 -4.920707697540017e-09 4.776118947960596e-10 ] [ -7.155157206259818e-09 -3.375777007618863e-09 9.229205443458876e-10 ] [ -9.342632338416723e-09 -1.061511161222954e-08 -1.1736088584126523e-08 ] [ -8.195136940180568e-09 -1.0789726753859374e-08 1.3601917947686413e-08 ] [ -4.5578986469837464e-09 6.264405164106353e-09 2.2320082722026885e-11 ] [ -1.3998181567608622e-08 7.407943506524455e-09 4.486752872613488e-09 ] [ -5.8026628287393175e-09 7.578620658238024e-09 -6.218957341427753e-09 ] [ -1.4820877152352056e-09 1.1521682905466136e-08 7.348421042885114e-09 ] [ 3.9642811539586625e-09 -4.068356143980899e-09 1.747028928433542e-08 ] [ -2.422680107490855e-10 -9.169865627954308e-11 -2.4629727666743683e-09 ] [ -1.3180903582890763e-09 4.4357587951266654e-09 8.367545243732912e-10 ] [ 3.5762634564507255e-09 -1.105649589036438e-09 -1.3418797491247403e-08 ] [ 1.1267167696409992e-09 -4.840569706885518e-10 -3.4569240491091407e-09 ] [ 1.6283899927105711e-09 -1.1419643641058287e-09 7.054801188609783e-09 ] [ -3.2588562461040373e-09 -7.510279814477799e-09 -4.405204806315023e-09 ] [ 5.460732222381678e-09 6.944612292602573e-09 -1.0069293296291743e-08 ] [ 2.499428212851065e-09 -9.140381893125357e-09 -6.532363756534642e-09 ] [ 3.109474424945832e-09 -1.2880603453195003e-08 5.928036033234835e-09 ] [ 6.663169941951292e-09 -1.2580706110701715e-08 -1.607449448146118e-08 ] [ -4.86980878934447e-09 6.761387214030224e-10 8.808654908794945e-09 ] [ 3.9961348284450975e-09 7.330577601859265e-09 -1.14744653184922e-09 ] [ 1.2757672766957896e-08 -3.7168414772952967e-11 1.7831761158283971e-10 ] [ 7.817109614991628e-09 -1.7149879595001355e-09 -5.280733607088295e-09 ] [ 3.8359472872855696e-10 2.100675291113119e-09 6.0432131459332435e-09 ] [ 2.2369428159770903e-09 -1.932880935793356e-09 2.7334422903027755e-09 ] [ -1.3153214766530098e-09 1.2248793754536276e-08 -1.3761316096424874e-09 ] [ -9.661988596622615e-10 5.859011220275191e-09 -1.7811982287900194e-09 ] [ -6.2261001652386044e-09 4.853758344174958e-09 2.8377403033106273e-09 ] [ -1.4703016554031467e-08 -9.821323779819877e-09 2.470148146714153e-08 ] [ -4.615229493223495e-09 -5.441760047926475e-09 7.269098880565928e-09 ] [ 3.5028044594753557e-09 -5.520022370411003e-10 -2.2680336941743626e-09 ] [ -2.857327232935232e-09 -9.447097138010798e-09 -2.9078483478835936e-08 ] [ -7.210775966562579e-09 1.4601576023026813e-09 7.139937009015204e-09 ] [ -4.6164428215784265e-10 1.4888256690139799e-09 5.1241041797682394e-09 ] [ 5.687285123527985e-09 6.79669117586955e-10 -7.608758401563583e-09 ] [ 3.0429924265010603e-09 2.6200890954694854e-10 -8.693650670953921e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -157.35701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.521137225409918e-17 } }