{ "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" [ [ -0.5015128000000001 3.926838300000001 2.9984382000000003 ] [ -4.758486200000001 5.803941100000001 -1.7085005000000004 ] [ -0.15571610000000002 0.3278266000000001 -0.5443956000000001 ] [ 2.7273257000000006 0.07789300000000002 -0.36101520000000004 ] [ -5.129828600000001 -0.29926410000000003 4.622733900000001 ] [ 0.8160653000000002 4.4984511000000005 -1.1274264000000003 ] [ 3.0992428000000007 3.711039200000001 -8.544582100000001 ] [ 0.39680960000000015 2.6144754000000003 5.813253900000001 ] [ 13.677416300000004 -3.306118500000001 3.085360300000001 ] [ 3.6006533000000007 -1.2522523000000003 1.7864985000000004 ] [ -0.8512615000000002 1.5937810000000003 -3.634072400000001 ] [ 6.538543200000002 0.15802470000000002 -2.0686335000000002 ] [ 3.606251400000001 2.4762431000000005 1.9888837000000004 ] [ -0.09216330000000002 -5.899718600000001 -0.5939902000000001 ] [ 1.0606394000000001 -8.028044600000001 6.240875100000002 ] [ 3.447190500000001 3.2803055000000008 -9.119169600000001 ] [ 3.540407300000001 5.337620500000001 7.288546100000001 ] [ 7.416977700000002 5.486539400000001 -8.380940100000002 ] [ 1.1271155000000002 0.15010060000000006 6.2969978000000015 ] [ -1.9182752000000005 3.0709557000000007 -6.013127500000002 ] [ 0.5109736000000002 -8.017385600000003 20.804944600000002 ] [ 0.7001534000000001 -3.363147800000001 -2.2899030000000002 ] [ 0.9943438000000002 0.6869739000000001 0.9996619000000002 ] [ -0.8974413000000003 -6.927465800000002 -18.594010800000003 ] [ -2.9328054000000003 2.7186593000000006 2.0345625000000003 ] [ -3.021453700000001 0.9231886000000002 -4.892923000000001 ] [ -0.3089995 3.998688000000001 7.249858200000002 ] [ -7.024889100000002 3.938097700000001 -2.8051757000000004 ] [ -4.925008300000001 -3.279207000000001 0.31828520000000005 ] [ -4.768265700000001 -2.2496503000000003 0.6150431000000001 ] [ -6.226020200000002 -7.074012700000002 -7.821042500000002 ] [ -5.461318200000001 -7.190377800000002 9.064449200000002 ] [ -3.037427600000001 4.174660000000001 0.014874300000000003 ] [ -9.328523000000002 4.936725000000001 2.9900153000000005 ] [ -3.866950400000001 5.0504658000000004 -4.144373000000001 ] [ -0.9876775000000002 7.6781605000000015 4.897058500000001 ] [ 2.6418351000000007 -2.7111917000000005 11.642369000000002 ] [ -0.16144980000000003 -0.06110890000000002 -1.6413487000000004 ] [ -0.8783881000000002 2.9560324000000002 0.5576212000000002 ] [ 2.3832564000000005 -0.7368156000000001 -8.942415900000002 ] [ 0.7508549000000002 -0.32258020000000004 -2.3037275000000004 ] [ 1.0851748000000003 -0.7610160000000002 4.701387400000001 ] [ -2.1717332000000003 -5.004922800000001 -2.9356709000000003 ] [ 3.639084600000001 4.627956500000001 -6.710274100000002 ] [ 1.6656430000000004 -6.091238500000002 -4.353230100000001 ] [ 2.0721837000000005 -8.583758200000002 3.9505003000000007 ] [ 4.440400600000001 -8.383903700000001 -10.712198000000003 ] [ -3.2452875000000008 0.4505853000000002 5.870172500000001 ] [ 2.6630628000000005 4.8851675000000006 -0.7646694000000003 ] [ 8.501836000000003 -0.024769400000000007 0.11883250000000002 ] [ 5.209397200000001 -1.1428845000000003 -3.5191318000000007 ] [ 0.2556313000000001 1.3999103000000002 4.027255500000001 ] [ 1.4907202000000002 -1.2880905000000002 1.8215923000000005 ] [ -0.8765430000000002 8.162714200000002 -0.9170674000000002 ] [ -0.6438842000000001 3.9045015000000007 -1.1870077000000003 ] [ -4.1491332000000005 3.2345914000000007 1.8910975000000005 ] [ -9.798231800000002 -6.545024800000002 16.461305100000004 ] [ -3.075633400000001 -3.626441300000001 4.844197500000001 ] [ 2.3343026000000004 -0.36785960000000006 -1.5114395000000005 ] [ -1.9041504000000007 -6.295636500000001 -19.378181400000003 ] [ -4.805330500000001 0.9730631000000002 4.758122800000001 ] [ -0.30764420000000003 0.9921678000000003 3.4147524000000007 ] [ 3.790061500000001 0.45293800000000006 -5.0705499000000005 ] [ 2.0278795000000005 0.17460520000000002 -0.5793533000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.035120831919464e-10 6.291488517922019e-09 4.804027582953635e-09 ] [ -7.623935340039435e-09 9.298938738920237e-09 -2.7373195577251114e-09 ] [ -2.494846949021549e-10 5.252361141963534e-10 -8.722179027863887e-10 ] [ 4.3696574738469954e-09 1.2479834352397444e-10 -5.784101131934363e-10 ] [ -8.218891451631197e-09 -4.794739444647533e-10 7.406436178759607e-09 ] [ 1.3074807447061385e-09 7.207313182232044e-09 -1.8063362197527097e-09 ] [ 4.965534356342732e-09 5.945740245112337e-09 -1.368992967512617e-08 ] [ 6.357590640289999e-10 4.188851361536729e-09 9.313859489354424e-09 ] [ 2.1913636628808848e-08 -5.296985766294367e-09 4.943292139404476e-09 ] [ 5.76888253686637e-09 -2.0063293584030282e-09 2.8622861297942694e-09 ] [ -1.3638712734871396e-09 2.5535186568752453e-09 -5.822425837574548e-09 ] [ 1.0475901049130823e-08 2.531834798489338e-10 -3.3143162307036773e-09 ] [ 5.777851681807271e-09 3.967378802237318e-09 3.1865429656302015e-09 ] [ -1.4766188455577667e-10 -9.452391210218908e-09 -9.516772114243165e-10 ] [ 1.6993316497793397e-09 -1.286234536885969e-08 9.998984178552865e-09 ] [ 5.5230080265438645e-09 5.255628781181656e-09 -1.461052033423009e-08 ] [ 5.672357804169654e-09 8.551810775802808e-09 1.1677538161043021e-08 ] [ 1.188330826793496e-08 8.79040515577806e-09 -1.3427746288545217e-08 ] [ 1.8058381030413027e-09 2.4048767208805256e-10 1.0088902656389037e-08 ] [ -3.073415677700445e-09 4.9202134260525e-09 -9.634092298389556e-09 ] [ 8.186699557660113e-10 -1.2845267768258585e-08 3.333319583515921e-08 ] [ 1.121769408453631e-09 -5.388356777454956e-09 -3.668829050499783e-09 ] [ 1.5931143893974314e-09 1.1006535216797973e-09 1.601634924884508e-09 ] [ -1.4378594694003596e-09 -1.1099023746151573e-08 -2.9790889390662712e-08 ] [ -4.698872245235993e-09 4.355772370380494e-09 3.2597284710564005e-09 ] [ -4.840902478969658e-09 1.4791111915090833e-09 -7.8393268379746e-09 ] [ -4.950717747388896e-10 6.406604427473512e-09 1.1615553312155174e-08 ] [ -1.1255113079732757e-08 6.309528065366254e-09 -4.494386923776276e-09 ] [ -7.890733155505955e-09 -5.253868790163707e-09 5.099491061866522e-10 ] [ -7.639603826302547e-09 -3.604337115635707e-09 9.854076756043567e-10 ] [ -9.975184005068543e-09 -1.1333817763182287e-08 -1.2530691443783187e-08 ] [ -8.74999633878954e-09 -1.1520255205879342e-08 1.4522848588669267e-08 ] [ -4.866495488092656e-09 6.6885426517889304e-09 2.3831255710765447e-11 ] [ -1.4945941457195084e-08 7.909505378318882e-09 4.790532609494299e-09 ] [ -6.19553752467321e-09 8.091738228909969e-09 -6.6400175284747595e-09 ] [ -1.5824337993901924e-09 1.2301769243850041e-08 7.845952639389918e-09 ] [ 4.232686433228831e-09 -4.3438079562470085e-09 1.865313142252668e-08 ] [ -2.586710949928359e-10 -9.790725090280516e-11 -2.6297305137204737e-09 ] [ -1.407332877808933e-09 4.736086001607315e-09 8.934076499024413e-10 ] [ 3.818397685451974e-09 -1.1805087281607246e-09 -1.4327329688450195e-08 ] [ 1.2030021663931224e-09 -5.168304547729883e-10 -3.6909783411940328e-09 ] [ 1.7386416940413164e-09 -1.2192820432547333e-09 7.532452977603699e-09 ] [ -3.4795001596551713e-09 -8.018770299068876e-09 -4.7034632823428956e-09 ] [ 5.830456267233321e-09 7.414803706379396e-09 -1.0751044282179766e-08 ] [ 2.6686542731991753e-09 -9.759239916416864e-09 -6.974643491182848e-09 ] [ 3.320004278142842e-09 -1.3752696706640293e-08 6.329399221123388e-09 ] [ 7.114306028306294e-09 -1.3432494499178619e-08 -1.716283319298052e-08 ] [ -5.199523760274481e-09 7.219172333361545e-10 9.40505313956309e-09 ] [ 4.266696957882187e-09 7.826901157191985e-09 -1.225135435321164e-09 ] [ 1.3621442873075793e-08 -3.968495359124353e-11 1.9039065329121605e-10 ] [ 8.346374402300983e-09 -1.831102826174698e-09 -5.638270695473822e-09 ] [ 4.095664924047112e-10 2.2429035538771147e-09 6.452374608088216e-09 ] [ 2.3883970525943007e-09 -2.063748484574583e-09 2.918512595689301e-09 ] [ -1.4043767017258948e-09 1.3078109853512178e-08 -1.4693039479778423e-09 ] [ -1.0316162117425117e-09 6.255701019178533e-09 -1.9017959856495808e-09 ] [ -6.647644209625092e-09 5.182386718920742e-09 3.029872202153329e-09 ] [ -1.5698497915139103e-08 -1.0486285717116199e-08 2.6373918179075813e-08 ] [ -4.927707927631617e-09 -5.810199467563561e-09 7.76125998103781e-09 ] [ 3.739965051592655e-09 -5.893760508568398e-10 -2.4215930306536424e-09 ] [ -3.0507852533669697e-09 -1.0086721613355142e-08 -3.104726919270142e-08 ] [ -7.698988182317176e-09 1.5590189493831728e-09 7.623353109055436e-09 ] [ -4.929003447647194e-10 1.5896280530705708e-09 5.471036461100691e-09 ] [ 6.072347926694181e-09 7.256866742719105e-10 -8.12391650437978e-09 ] [ 3.2490211246995944e-09 2.797483693101082e-10 -9.282263124433288e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -168.01102 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.691833282807612e-17 } }