{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.08361e-09 0.0 0.0 ] "source-value" [ 10.8361 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.16509e-10 9.32986e-10 0.0 ] "source-value" [ -5.16509 9.32986 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.38382e-11 2.85992e-11 1.02675e-09 ] "source-value" [ 0.338382 0.285992 10.2675 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.3830941684147762e-09 -4.147655715609732e-09 4.3442971007693376e-10 ] [ -1.1019636215026253e-09 9.936931717811616e-10 4.010072162869436e-09 ] [ 3.1257858646868715e-09 -8.696168651731169e-09 -6.278263991876272e-09 ] [ -2.3750754346453344e-09 -5.529090850302392e-09 1.3232924655591514e-09 ] [ -2.91379771032961e-09 2.6675744061567553e-10 8.748646985639501e-10 ] [ 8.615054294643956e-10 -5.808744530974211e-09 7.217267024924088e-09 ] [ -2.5523782275565593e-09 4.29166720095268e-10 -7.096917925876074e-09 ] [ 2.944962128433777e-09 3.10831044363082e-09 7.111602195041032e-10 ] [ 4.376741177340538e-09 -3.4111678074310362e-09 -4.1924934454528976e-08 ] [ -4.7558943520409134e-09 8.741118357698359e-10 3.8586275232901844e-08 ] [ -1.2793348754208571e-08 -2.951127784723601e-09 4.26216407978662e-09 ] [ 1.674566645533972e-09 -2.5411410413912548e-09 7.092358451648602e-10 ] [ 1.7845045926170656e-08 1.9641732075918622e-08 6.052161847100462e-08 ] [ -9.238751051547938e-09 -1.2161765443106362e-09 5.617078224657514e-09 ] [ -1.0815227317391348e-08 3.908082245501509e-09 -5.893070771533143e-09 ] [ -1.111065426667728e-08 -6.133452059093573e-09 -6.270353725464058e-08 ] [ 3.266959414581395e-09 -7.155630168798277e-09 1.3717730483632627e-09 ] [ -8.522333129245018e-10 -8.067566510667284e-09 5.489010960174122e-09 ] [ -1.8344672368607157e-09 -1.291383163500442e-08 5.501301096814616e-09 ] [ -3.4275556709968896e-09 1.24661197205234e-10 -8.759103431137491e-09 ] [ 1.2935716085903253e-09 3.399998873989778e-09 5.734984805447117e-10 ] [ 3.2334343494441407e-10 1.230932494857607e-08 -2.0019873476082964e-08 ] [ -3.523043635202287e-09 2.798932381201609e-09 1.5841170621697706e-08 ] [ 1.0034980120474713e-09 3.13759791182372e-09 4.181208338184864e-10 ] [ -9.068114595120538e-10 -4.955843110398835e-09 1.1794423194019201e-11 ] [ -3.78129704275008e-11 -6.592622740766564e-09 -3.4358597524224957e-10 ] [ 1.3706757175956768e-08 2.8540773778775996e-10 4.3197685777932006e-09 ] [ -7.264456253371834e-10 -4.453890948379582e-09 -5.757681880328018e-09 ] [ -8.949866270057717e-09 6.432477817505147e-09 2.2751257289863336e-09 ] [ -4.809826501014959e-09 3.820590584592862e-09 -2.86064165571068e-09 ] [ -3.0281743755882665e-09 6.246076744217386e-09 3.8231430121674585e-09 ] [ -5.093508374146793e-09 -9.654286933606427e-10 -4.7213994893950885e-09 ] [ -1.6779622986640954e-09 -3.800032735936053e-09 -1.5032672084208846e-09 ] [ 5.422789956300877e-09 -6.130337427742739e-09 2.3108967253106247e-09 ] [ -1.6466102656776326e-09 -3.4690398689332913e-09 3.7243508791169856e-09 ] [ 2.9273021366310088e-09 -3.7020678066748986e-10 -3.967673122082558e-09 ] [ -1.864903625908391e-09 5.629294981608776e-09 1.0312749000569824e-08 ] [ -4.6321973447260765e-09 4.5433395078128735e-09 -4.139590358500625e-09 ] [ 2.802342934574306e-09 8.161916288601265e-09 7.982410823271764e-10 ] [ -3.794636605077199e-09 2.7982923116415995e-09 -7.44789666448202e-09 ] [ 1.873797308330452e-09 -4.327212771026423e-09 -3.424299247015114e-09 ] [ -2.5997465793505113e-09 -5.52918393676406e-09 7.899680190409486e-09 ] [ -4.956700274890964e-10 -3.1516483599174876e-09 -1.2706431633836144e-08 ] [ -2.1216735781229857e-09 -3.92964545998787e-09 8.77650082619211e-09 ] [ 1.171157464095763e-10 3.1092464352126914e-09 -7.295083461655047e-10 ] [ -3.3871739307932603e-09 3.46877631087917e-09 1.6264170724197178e-09 ] [ -8.430448300042138e-10 3.320630889419236e-09 -1.9479375508049856e-10 ] [ 4.883565398245981e-09 -1.937812916085164e-09 -1.062291164889024e-09 ] [ 6.484454509913507e-09 -4.479891551234911e-09 -2.9081577281890697e-09 ] [ -2.0749427324064502e-09 -1.763411504816546e-09 -1.2417149192108642e-09 ] [ 3.856348443068863e-09 -1.2733638355251611e-09 7.765068995736098e-09 ] [ 7.049189564995428e-09 -1.0046374159731195e-08 -5.9411061094543336e-09 ] [ -4.6254502585405637e-10 9.601696447334638e-09 1.5531234200716149e-09 ] [ 1.1525331542284681e-08 1.3276989319193376e-09 7.745851047387264e-10 ] [ 3.0490351958440686e-09 -7.955976511205186e-11 1.3177878673430689e-09 ] [ 2.5633013871041877e-09 1.1865795355945978e-09 -4.066627074971731e-09 ] [ 6.452069393441953e-10 -1.2525781733746405e-08 1.0577920606766232e-08 ] [ 9.187367805359924e-10 1.1931083252155267e-08 -1.5005370994590412e-09 ] [ 2.954301536391744e-10 6.819651328151586e-09 -4.782017841843057e-09 ] [ 3.482039609599139e-09 4.145595476693046e-09 -1.6144204545361535e-10 ] [ -4.5003148170555726e-09 7.139960561011529e-09 -1.4762166992259458e-10 ] [ 1.1504143557562913e-08 -1.7845736944947208e-09 7.065262440637632e-10 ] [ 1.1194941253909003e-08 -6.019135635675859e-10 -3.3031386455086655e-09 ] [ -7.686457078312913e-09 9.778844469984293e-09 3.551111686769096e-09 ] ] "source-value" [ [ -1.4874104 -2.5887631 0.2711497 ] [ -0.6877916 0.6202145 2.5028902 ] [ 1.9509621 -5.4277216 -3.9185842 ] [ -1.4824055 -3.4509871 0.8259342 ] [ -1.8186495 0.1664969 0.5460476 ] [ 0.5377094 -3.6255332 4.5046638 ] [ -1.5930692 0.26786480000000007 -4.4295478 ] [ 1.8381008 1.9400548 0.4438713 ] [ 2.731747 -2.1290834999999997 -26.1674861 ] [ -2.9683958 0.5455776999999998 24.0836589 ] [ -7.9849803 -1.8419491 2.6602336 ] [ 1.0451823 -1.5860555 0.4426702 ] [ 11.1380017 12.259405 37.7746234 ] [ -5.7663749 -0.7590777 3.5059045 ] [ -6.750334 2.4392331 -3.6781655 ] [ -6.934725 -3.8281996999999994 -39.13647 ] [ 2.0390757 -4.4661931 0.8561934 ] [ -0.5319222 -5.035379 3.4259712 ] [ -1.1449844 -8.0601798 3.4336421 ] [ -2.139312 0.07780740000000005 -5.4670024 ] [ 0.8073839 2.1221124 0.3579496 ] [ 0.2018151 7.6828764 -12.4954223 ] [ -2.1989109 1.7469562 9.8872811 ] [ 0.6263342 1.9583346 0.2609705 ] [ -0.5659872 -3.093194 0.0073615 ] [ -0.023601 -4.1147915 -0.2144495 ] [ 8.555085 0.17813749999999998 2.6961875 ] [ -0.4534117 -2.7799001 -3.5936624 ] [ -5.5860672 4.0148369 1.4200218 ] [ -3.0020576 2.3846251 -1.7854721 ] [ -1.8900378 3.8984945 2.3862182 ] [ -3.1791179 -0.6025732 -2.9468658 ] [ -1.0473017 -2.3717939 -0.9382656 ] [ 3.3846393 -3.8262557 1.4423483 ] [ -1.0277333 -2.1652044 2.324557 ] [ 1.8270783 -0.23106489999999996 -2.4764268 ] [ -1.1639813 3.5135296 6.4367117 ] [ -2.8911902 2.8357295 -2.5837291 ] [ 1.7490849 5.0942675 0.4982229 ] [ -2.3684259 1.7465567 -4.6486115 ] [ 1.1695323 -2.7008338 -2.1372795 ] [ -1.6226342 -3.4510452 4.9305926 ] [ -0.3093729 -1.9671042 -7.9307309 ] [ -1.3242445 -2.4526918 5.477861 ] [ 0.0730979 1.940639 -0.4553233 ] [ -2.1141077 2.1650399 1.0151297 ] [ -0.5261872 2.0725748 -0.1215807 ] [ 3.0480818 -1.2094877 -0.66303 ] [ 4.0472782 -2.7961284 -1.8151293 ] [ -1.2950774 -1.1006349 -0.7750175 ] [ 2.4069434 -0.7947712 4.8465749 ] [ 4.3997581 -6.2704536 -3.7081468 ] [ -0.2886979 5.9929076 0.9693834 ] [ 7.1935462 0.8286845 0.483458 ] [ 1.9030581 -0.04965730000000001 0.8224985 ] [ 1.5998869 0.7406047 -2.538189 ] [ 0.4027065 -7.8179781 6.6022188 ] [ 0.5734304 7.4467965 -0.9365616 ] [ 0.184393 4.2564916 -2.9847008 ] [ 2.1733182 2.5874772 -0.1007642 ] [ -2.8088756 4.4564129 -0.0921382 ] [ 7.1803217 -1.1138433 0.440979 ] [ 6.9873328 -0.3756849 -2.061657 ] [ -4.7975092 6.1034747 2.2164296 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.26915e-11 2.79141e-12 1.78709e-13 ] [ 5.21394e-13 -1.20898e-13 2.6198800000000003e-10 ] [ 1.11086e-11 -4.41851e-13 5.39688e-10 ] [ -8.11775e-13 9.88404e-13 7.76446e-10 ] [ -1.26892e-10 2.00974e-10 -1.28773e-11 ] [ -1.51778e-10 2.36617e-10 2.46995e-10 ] [ -1.29504e-10 2.30049e-10 5.2473e-10 ] [ -1.5822200000000001e-10 2.2233500000000001e-10 7.67671e-10 ] [ -2.57393e-10 4.57709e-10 3.03636e-11 ] [ -2.71158e-10 4.50657e-10 2.20402e-10 ] [ -2.2976600000000002e-10 4.85067e-10 5.36604e-10 ] [ -2.53013e-10 5.02991e-10 7.91092e-10 ] [ -4.04953e-10 6.958300000000001e-10 -2.9026600000000004e-11 ] [ -3.9201100000000003e-10 6.89235e-10 2.29412e-10 ] [ -3.9402400000000003e-10 6.80767e-10 5.1746e-10 ] [ -4.0205900000000005e-10 6.917169999999999e-10 8.225149999999999e-10 ] [ 2.5502699999999997e-10 1.07665e-12 1.37903e-11 ] [ 2.73854e-10 7.58287e-12 2.41415e-10 ] [ 2.88705e-10 4.28661e-11 5.258330000000001e-10 ] [ 2.96792e-10 1.98107e-11 8.129e-10 ] [ 1.17194e-10 2.3249000000000002e-10 2.41827e-11 ] [ 1.411e-10 2.209e-10 2.91902e-10 ] [ 1.2891e-10 1.9471400000000003e-10 4.88894e-10 ] [ 1.29288e-10 2.19289e-10 7.8659e-10 ] [ 6.39291e-13 4.772160000000001e-10 2.3414800000000002e-12 ] [ -2.13263e-12 4.6438e-10 2.62467e-10 ] [ -2.36535e-11 4.59722e-10 5.02665e-10 ] [ 1.98478e-12 4.59769e-10 7.818450000000001e-10 ] [ -1.31921e-10 6.83806e-10 6.64341e-12 ] [ -1.28766e-10 6.8641e-10 2.7510400000000005e-10 ] [ -1.23014e-10 7.04914e-10 5.085880000000001e-10 ] [ -1.40792e-10 7.24847e-10 7.990660000000001e-10 ] [ 5.56053e-10 3.85699e-12 2.41581e-11 ] [ 5.158350000000001e-10 2.16277e-11 2.54291e-10 ] [ 5.29544e-10 7.50747e-14 5.094520000000001e-10 ] [ 5.36985e-10 6.994870000000001e-12 7.976440000000001e-10 ] [ 4.01598e-10 2.01186e-10 -2.60287e-11 ] [ 4.01533e-10 2.2467100000000002e-10 2.4866899999999997e-10 ] [ 3.98846e-10 2.29098e-10 4.91301e-10 ] [ 4.1082700000000004e-10 2.2963200000000003e-10 7.852420000000001e-10 ] [ 2.5674700000000004e-10 4.49522e-10 -1.38841e-11 ] [ 2.86035e-10 4.53832e-10 2.45489e-10 ] [ 2.6867200000000003e-10 4.966760000000001e-10 5.26116e-10 ] [ 2.68347e-10 4.4963e-10 7.378490000000001e-10 ] [ 1.3187700000000001e-10 6.832130000000001e-10 4.10508e-12 ] [ 1.66677e-10 6.553300000000001e-10 2.5282800000000003e-10 ] [ 1.32642e-10 6.86023e-10 5.179560000000001e-10 ] [ 1.00003e-10 7.08995e-10 7.7783e-10 ] [ 7.896200000000001e-10 1.96713e-12 3.22052e-11 ] [ 7.877500000000001e-10 -2.59473e-11 2.7509800000000005e-10 ] [ 7.639700000000001e-10 3.5930700000000006e-12 5.053759999999999e-10 ] [ 7.97203e-10 5.67385e-12 7.898950000000001e-10 ] [ 6.56802e-10 2.2716500000000004e-10 -1.44672e-11 ] [ 6.42437e-10 2.2899e-10 2.4154100000000003e-10 ] [ 6.57384e-10 2.26553e-10 5.048120000000001e-10 ] [ 6.62454e-10 2.30565e-10 7.764090000000001e-10 ] [ 5.087100000000001e-10 4.70438e-10 -4.1877700000000005e-11 ] [ 5.466750000000001e-10 4.4367400000000006e-10 2.45804e-10 ] [ 5.64549e-10 4.39342e-10 5.3916e-10 ] [ 5.30187e-10 4.59667e-10 7.61215e-10 ] [ 3.9664500000000003e-10 6.8464e-10 -4.352120000000001e-12 ] [ 4.0557499999999997e-10 6.85317e-10 2.31994e-10 ] [ 4.07639e-10 6.7929e-10 5.46762e-10 ] [ 3.90254e-10 6.79284e-10 7.72497e-10 ] ] "source-value" [ [ 0.226915 0.0279141 0.00178709 ] [ 0.00521394 -0.00120898 2.61988 ] [ 0.111086 -0.00441851 5.39688 ] [ -0.00811775 0.00988404 7.76446 ] [ -1.26892 2.00974 -0.128773 ] [ -1.51778 2.36617 2.46995 ] [ -1.29504 2.30049 5.2473 ] [ -1.58222 2.22335 7.67671 ] [ -2.57393 4.57709 0.303636 ] [ -2.71158 4.50657 2.20402 ] [ -2.29766 4.85067 5.36604 ] [ -2.53013 5.02991 7.91092 ] [ -4.04953 6.9583 -0.290266 ] [ -3.92011 6.89235 2.29412 ] [ -3.94024 6.80767 5.1746 ] [ -4.02059 6.91717 8.22515 ] [ 2.55027 0.0107665 0.137903 ] [ 2.73854 0.0758287 2.41415 ] [ 2.88705 0.428661 5.25833 ] [ 2.96792 0.198107 8.129 ] [ 1.17194 2.3249 0.241827 ] [ 1.411 2.209 2.91902 ] [ 1.2891 1.94714 4.88894 ] [ 1.29288 2.19289 7.8659 ] [ 0.00639291 4.77216 0.0234148 ] [ -0.0213263 4.6438 2.62467 ] [ -0.236535 4.59722 5.02665 ] [ 0.0198478 4.59769 7.81845 ] [ -1.31921 6.83806 0.0664341 ] [ -1.28766 6.8641 2.75104 ] [ -1.23014 7.04914 5.08588 ] [ -1.40792 7.24847 7.99066 ] [ 5.56053 0.0385699 0.241581 ] [ 5.15835 0.216277 2.54291 ] [ 5.29544 0.000750747 5.09452 ] [ 5.36985 0.0699487 7.97644 ] [ 4.01598 2.01186 -0.260287 ] [ 4.01533 2.24671 2.48669 ] [ 3.98846 2.29098 4.91301 ] [ 4.10827 2.29632 7.85242 ] [ 2.56747 4.49522 -0.138841 ] [ 2.86035 4.53832 2.45489 ] [ 2.68672 4.96676 5.26116 ] [ 2.68347 4.4963 7.37849 ] [ 1.31877 6.83213 0.0410508 ] [ 1.66677 6.5533 2.52828 ] [ 1.32642 6.86023 5.17956 ] [ 1.00003 7.08995 7.7783 ] [ 7.8962 0.0196713 0.322052 ] [ 7.8775 -0.259473 2.75098 ] [ 7.6397 0.0359307 5.05376 ] [ 7.97203 0.0567385 7.89895 ] [ 6.56802 2.27165 -0.144672 ] [ 6.42437 2.2899 2.41541 ] [ 6.57384 2.26553 5.04812 ] [ 6.62454 2.30565 7.76409 ] [ 5.0871 4.70438 -0.418777 ] [ 5.46675 4.43674 2.45804 ] [ 5.64549 4.39342 5.3916 ] [ 5.30187 4.59667 7.61215 ] [ 3.96645 6.8464 -0.0435212 ] [ 4.05575 6.85317 2.31994 ] [ 4.07639 6.7929 5.46762 ] [ 3.90254 6.79284 7.72497 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.420569219624229e-17 "source-value" -213.49514 } }