{ "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" [ 10.7273634 0 0 ] "si-unit" "m" "si-value" [ 1.07273634e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7273634 0 ] "si-unit" "m" "si-value" [ 0.0 1.07273634e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7273634 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07273634e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.21377030452 0.0563125 1.2912944 ] [ 0.8976564746510001 3.4276614 0.9628184 ] [ 2.77184944462 4.8519534 0.8880078 ] [ 3.06442978639 1.0867944 3.4618754 ] [ 4.85618615881 2.5758984 3.1287184 ] [ 1.27636094377 2.7351484 3.2348454 ] [ 0.032681315581 4.0814974 4.7880054 ] [ 3.19259516734 4.2357514 3.0949614 ] [ 1.74549016635 0.501631 7.0866474 ] [ 2.71083373678 2.5436094 6.2571034 ] [ 1.82844083884 4.6881544 6.1646784 ] [ 5.00120999727 2.7830024 6.7832324 ] [ 1.67937095052 2.5162484 8.4980134 ] [ 5.29608974566 2.0928404 9.890123399999998 ] [ 3.09394978387 1.1886634 9.892166399999999 ] [ 2.19610230631 4.8460154 8.4728544 ] [ 4.10627732065 4.1877604 9.777425399999998 ] [ 2.49273626885 7.1689504 0.7237711 ] [ 0.73244835583 7.4255494 2.1496434 ] [ 1.08234378554 9.723728399999999 2.1337024 ] [ 4.24974133584 8.6601764 1.1778904 ] [ 2.26042799741 7.4935164 4.0763194 ] [ 3.50755280462 5.6931804 4.9409694 ] [ 4.06473515015 10.2643734 4.9103844 ] [ 4.35512425166 8.3895594 3.4931584 ] [ 4.51304527492 6.6599684 6.8717674 ] [ 2.08341822783 9.2189044 5.7439464 ] [ 0.112207971214 5.6723194 9.331266399999999 ] [ 1.26875704576 7.7639324 9.573386399999999 ] [ 5.20306083258 7.8442044 9.915327399999999 ] [ 3.38272000618 8.069854399999999 8.440456399999999 ] [ 3.69611531697 10.4059334 8.2278364 ] [ 5.41540082438 1.1462964 1.3210624 ] [ 9.09054030464 1.4714254 1.1371174 ] [ 8.261713410039999 3.6176724 1.7455734 ] [ 9.919850788069999 4.9974894 0.7567007 ] [ 9.957896203299999 1.3933974 3.2790474 ] [ 8.11804548957 1.7933464 4.7329544 ] [ 7.31540690772 5.0229914 3.4637784 ] [ 6.30859955646 3.3387054 4.8486364 ] [ 5.36954795201 0.4386996000000001 6.7246454 ] [ 9.74027952725 2.5346444 6.2391424 ] [ 9.997682502 0.3599027 7.1984124 ] [ 5.52914919646 4.8406564 7.9491614 ] [ 8.1538711563 3.7096894 7.4199644 ] [ 10.6976259251 1.9115034 10.1381034 ] [ 7.14907794402 3.5607304 10.4412534 ] [ 9.34037320928 3.7444664 9.4750114 ] [ 7.38703191253 10.4864334 1.1552294 ] [ 8.28344407597 8.2361054 0.5297284 ] [ 10.5679422858 8.918648399999999 0.3456757 ] [ 6.41012104365 7.2384134 3.7545914 ] [ 9.352619032389999 5.9295864 4.3603854 ] [ 7.91565831886 8.8332904 2.7955764 ] [ 9.931558472039999 9.8311864 3.5268204 ] [ 6.52045266264 7.6029404 6.0913674 ] [ 8.13745620109 5.8666654 6.4194484 ] [ 10.3457696753 6.9372664 6.2938964 ] [ 7.79511297434 8.837734399999999 7.6624984 ] [ 7.72653566934 10.7927734 6.3149904 ] [ 10.4285057725 9.233206399999998 5.7226844 ] [ 6.00220265615 5.5979944 10.1644834 ] [ 9.108498232839999 6.9809244 8.275955399999999 ] [ 6.87664920361 9.475838399999999 9.749998399999999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.21377030452e-10 5.63125e-12 1.2912944e-10 ] [ 8.976564746510001e-11 3.4276614e-10 9.628184e-11 ] [ 2.77184944462e-10 4.851953400000001e-10 8.880078e-11 ] [ 3.06442978639e-10 1.0867944e-10 3.4618753999999997e-10 ] [ 4.85618615881e-10 2.5758984e-10 3.1287184e-10 ] [ 1.2763609437700002e-10 2.7351484e-10 3.2348454e-10 ] [ 3.2681315581000004e-12 4.0814974e-10 4.788005400000001e-10 ] [ 3.19259516734e-10 4.2357514e-10 3.0949614e-10 ] [ 1.7454901663500002e-10 5.0163100000000004e-11 7.0866474e-10 ] [ 2.7108337367800005e-10 2.5436094e-10 6.257103400000001e-10 ] [ 1.82844083884e-10 4.6881544e-10 6.1646784e-10 ] [ 5.00120999727e-10 2.7830024e-10 6.7832324e-10 ] [ 1.67937095052e-10 2.5162484e-10 8.4980134e-10 ] [ 5.29608974566e-10 2.0928404e-10 9.8901234e-10 ] [ 3.09394978387e-10 1.1886634e-10 9.8921664e-10 ] [ 2.19610230631e-10 4.8460154e-10 8.472854399999999e-10 ] [ 4.10627732065e-10 4.1877604e-10 9.7774254e-10 ] [ 2.49273626885e-10 7.1689504e-10 7.237711e-11 ] [ 7.3244835583e-11 7.425549400000001e-10 2.1496434e-10 ] [ 1.08234378554e-10 9.723728399999999e-10 2.1337024000000002e-10 ] [ 4.2497413358399996e-10 8.660176399999999e-10 1.1778904e-10 ] [ 2.26042799741e-10 7.4935164e-10 4.0763194000000003e-10 ] [ 3.50755280462e-10 5.6931804e-10 4.9409694e-10 ] [ 4.06473515015e-10 1.02643734e-09 4.9103844e-10 ] [ 4.355124251660001e-10 8.3895594e-10 3.4931584e-10 ] [ 4.5130452749199996e-10 6.659968400000001e-10 6.871767400000001e-10 ] [ 2.0834182278300002e-10 9.2189044e-10 5.7439464e-10 ] [ 1.12207971214e-11 5.672319400000001e-10 9.3312664e-10 ] [ 1.26875704576e-10 7.7639324e-10 9.573386399999999e-10 ] [ 5.203060832580001e-10 7.8442044e-10 9.9153274e-10 ] [ 3.38272000618e-10 8.069854399999999e-10 8.440456399999999e-10 ] [ 3.69611531697e-10 1.04059334e-09 8.2278364e-10 ] [ 5.41540082438e-10 1.1462964000000001e-10 1.3210624e-10 ] [ 9.09054030464e-10 1.4714254000000001e-10 1.1371174e-10 ] [ 8.261713410039999e-10 3.6176724e-10 1.7455734e-10 ] [ 9.91985078807e-10 4.9974894e-10 7.567007e-11 ] [ 9.957896203299999e-10 1.3933974e-10 3.2790474e-10 ] [ 8.118045489569999e-10 1.7933464e-10 4.7329544e-10 ] [ 7.31540690772e-10 5.022991400000001e-10 3.4637784e-10 ] [ 6.30859955646e-10 3.3387054e-10 4.8486364e-10 ] [ 5.36954795201e-10 4.386996000000001e-11 6.7246454e-10 ] [ 9.740279527249999e-10 2.5346444e-10 6.2391424e-10 ] [ 9.997682502e-10 3.5990270000000004e-11 7.1984124e-10 ] [ 5.52914919646e-10 4.840656400000001e-10 7.949161400000001e-10 ] [ 8.1538711563e-10 3.7096894e-10 7.4199644e-10 ] [ 1.0697625925100002e-09 1.9115034e-10 1.0138103400000001e-09 ] [ 7.149077944020001e-10 3.5607304000000004e-10 1.0441253400000001e-09 ] [ 9.34037320928e-10 3.7444664e-10 9.4750114e-10 ] [ 7.38703191253e-10 1.04864334e-09 1.1552294000000001e-10 ] [ 8.28344407597e-10 8.236105399999999e-10 5.2972840000000004e-11 ] [ 1.05679422858e-09 8.918648399999999e-10 3.4567569999999996e-11 ] [ 6.41012104365e-10 7.2384134e-10 3.7545914e-10 ] [ 9.35261903239e-10 5.9295864e-10 4.3603854000000004e-10 ] [ 7.91565831886e-10 8.8332904e-10 2.7955764e-10 ] [ 9.93155847204e-10 9.8311864e-10 3.5268204e-10 ] [ 6.52045266264e-10 7.6029404e-10 6.091367400000001e-10 ] [ 8.13745620109e-10 5.8666654e-10 6.4194484e-10 ] [ 1.03457696753e-09 6.937266400000001e-10 6.293896400000001e-10 ] [ 7.795112974340001e-10 8.837734399999999e-10 7.6624984e-10 ] [ 7.726535669339999e-10 1.07927734e-09 6.3149904e-10 ] [ 1.04285057725e-09 9.233206399999999e-10 5.7226844e-10 ] [ 6.00220265615e-10 5.597994400000001e-10 1.01644834e-09 ] [ 9.108498232839999e-10 6.9809244e-10 8.275955399999999e-10 ] [ 6.876649203610001e-10 9.475838399999999e-10 9.7499984e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.603846 -1.1549783 -0.663543 ] [ 1.4226626 0.6011436 0.7081493 ] [ 0.8035523 0.8046089 0.3207616 ] [ 0.4504887 0.1288694 1.2747067 ] [ 1.5337947 1.5348042 0.3623626 ] [ -1.6671784 -0.1802214 0.4984799 ] [ 0.6655188 -0.158664 1.0571181 ] [ 1.5971795 -0.2720637 -0.4159116 ] [ -0.9298624 -1.7249642 -1.1669015 ] [ 1.4395162 0.2225766 -3.7091608 ] [ -0.4572514 1.8288639 -1.4200197 ] [ 1.125518 -0.3864499 0.0805346 ] [ -2.7400467 0.4471795 1.9061942 ] [ 1.2252647 -1.8273038 -1.3959538 ] [ 0.226118 -0.9801664 1.3908583 ] [ -0.3256295 2.534582 -0.881359 ] [ -1.4237714 0.1092058 2.4697674 ] [ -0.0853283 -1.3302122 -0.1688402 ] [ -1.838174 -3.5739311 2.218936 ] [ 0.5902262 2.3291645 1.1739214 ] [ 0.5058353 -0.0399928 0.6514425 ] [ -0.0559023 -0.5646384 0.197302 ] [ -0.2297933 0.766691 -0.2619663 ] [ 0.6259276 0.2461783 -0.0534405 ] [ 0.934839 -0.7172245 -0.5211638 ] [ 0.6533806 -0.079381 -0.2910043 ] [ 0.5180351 -1.72263 0.5713821 ] [ 0.8958203 1.5288437 -0.4764428 ] [ 0.0577225 0.4285101 -1.4797977 ] [ -0.0222058 0.7180582 0.4474275 ] [ 0.252853 0.1865344 -1.0238757 ] [ 1.0526785 -1.2198997 -0.0052616 ] [ 0.5829382 -0.1381588 0.1699547 ] [ -0.3010051 -1.2111337 0.423331 ] [ -1.0453323 0.1102339 2.0659602 ] [ 0.4572151 3.3321392 4.0787897 ] [ -1.0048469 -0.786761 -0.5385469 ] [ -0.5261344 0.4477572 -0.2702597 ] [ -1.0029926 -0.2114954 -0.8205283 ] [ 0.2251232 0.027327 -0.0522156 ] [ 0.0451381 -0.1352028 0.2366935 ] [ 0.1685861 0.8916204 0.2021393 ] [ -0.4802384 -0.4512273 2.7057282 ] [ 0.658302 0.3288094 -2.5899758 ] [ -2.1802614 -1.3250746 -0.429578 ] [ -0.0326798 -3.6217851 -0.9715677 ] [ -0.0860695 -0.459868 0.3852736 ] [ -1.1679722 -1.5472448 -4.0206588 ] [ -1.0509129 2.9547377 0.3478407 ] [ 0.9826064 -3.0836162 -1.0979281 ] [ -1.6031829 1.5505439 -2.599709 ] [ 0.0150702 0.6234722 0.6504224 ] [ 1.0174949 0.1537378 -3.2213913 ] [ -0.2337521 -0.5828528 1.2539589 ] [ 0.0015264 -0.4596496 1.3046499 ] [ -2.1928083 0.4174066 -0.2851453 ] [ -2.6495643 -1.8464015 -0.2531623 ] [ 4.3609663 1.0244012 -0.3075333 ] [ 0.5634938 1.6752508 0.4564664 ] [ -1.0543252 -0.6678163 -0.7711969 ] [ -0.2012075 0.1422999 -0.6512727 ] [ 1.9909524 3.4171357 2.1026483 ] [ 0.2451241 0.9305657 2.979283 ] [ -0.6991934 0.0177569 -1.8771718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.674679437635968e-10 -1.8504792297913287e-09 -1.0631130814954945e-09 ] [ 2.279356757006542e-09 9.631382216635468e-10 1.1345802524958855e-09 ] [ 1.287432708650068e-09 1.289125568467605e-09 5.139167363704012e-10 ] [ 7.21762463074585e-10 2.0647153981652353e-10 2.0423052731171197e-09 ] [ 2.45741000944695e-09 2.4590274067456475e-09 5.805688859723021e-10 ] [ -2.671114255182751e-09 -2.887465136478451e-10 7.986528417187219e-10 ] [ 1.066278662062871e-09 -2.542077513626112e-10 1.6936899052445167e-09 ] [ 2.5589636541210336e-09 -4.35894099508345e-10 -6.663638418395213e-10 ] [ -1.4898037978409779e-09 -2.7636973129569756e-09 -1.869582302076451e-09 ] [ 2.306359200902857e-09 3.566070248571533e-10 -5.942730716547824e-09 ] [ -7.325975029080691e-10 2.930162983205109e-09 -2.27512236441543e-09 ] [ 1.8032786258895744e-09 -6.19160994890498e-10 1.2903065328547968e-10 ] [ -4.3900387626401915e-09 7.164605402010337e-10 3.0540597819445597e-09 ] [ 1.963090456631526e-09 -2.927663427458999e-09 -2.2365645420769193e-09 ] [ 3.6228097314205444e-10 -1.5703996905737012e-09 2.228400651105633e-09 ] [ -5.217159719427936e-10 4.060848023900506e-09 -1.4120927843316674e-09 ] [ -2.281133250443685e-09 1.7496697961576065e-10 3.957003587094002e-09 ] [ -1.3671100735260864e-10 -2.131234887542934e-09 -2.7051182109119616e-10 ] [ -2.9450794077624194e-09 -5.726068852770027e-09 3.555127382251469e-09 ] [ 9.45646618623625e-10 3.731732907897322e-09 1.8808294217368054e-09 ] [ 8.104374916353543e-10 -6.407552916033024e-11 1.043725943295504e-09 ] [ -8.956535810894784e-11 -9.046504436859187e-10 3.161126516370816e-10 ] [ -3.681694528764807e-10 1.2283743955777728e-09 -4.19716281297479e-10 ] [ 1.0028465670334542e-09 3.9442111680828865e-10 -8.562111970386241e-11 ] [ 1.4977771900120513e-09 -1.1491203257649698e-09 -8.34996455967287e-10 ] [ 1.0468311218042766e-09 -1.2718238233572478e-10 -4.662402860122695e-10 ] [ 8.2998372597379e-10 -2.7599575122887045e-09 9.154550421636077e-10 ] [ 1.4352623410980423e-09 2.449477632997369e-09 -7.633455153084902e-10 ] [ 9.2481639994128e-11 6.865488639966701e-10 -2.3708972784536123e-09 ] [ -3.557761360616064e-11 1.1504560604137305e-09 7.16857880002992e-10 ] [ 4.051151650991424e-10 2.988610546549555e-10 -1.6404297091452346e-09 ] [ 1.686576881918813e-09 -1.954494779060934e-09 -8.43001250800128e-12 ] [ 9.339699554112344e-10 -2.2135479931778304e-10 2.7229744693507776e-10 ] [ -4.822633339615662e-10 -1.940450098803001e-09 6.782510310598849e-10 ] [ -1.674806972027092e-09 1.766141773996051e-10 3.3100331319432926e-09 ] [ 7.325393438967341e-10 5.338675523491215e-09 6.534941498499846e-09 ] [ -1.6099422106633555e-09 -1.2605300803572288e-09 -8.628472523843157e-10 ] [ -8.429602350786356e-10 7.173861176348698e-10 -4.3300377288442175e-10 ] [ -1.606971294555406e-09 -3.388529852867443e-10 -1.3146312589647686e-09 ] [ 3.6068712783968254e-10 4.37826805166016e-11 -8.365861356104448e-11 ] [ 7.231920852733248e-11 -2.1661876522669826e-10 3.792247919953248e-10 ] [ 2.701047080118509e-10 1.4285333595083444e-09 3.2386286060487745e-10 ] [ -7.694267368903988e-10 -7.229458307267078e-10 4.335054464279266e-09 ] [ 1.0547160738258817e-09 5.268107333792755e-10 -4.149598675197777e-09 ] [ -3.493163842312677e-09 -2.123003544935912e-09 -6.882598284100224e-10 ] [ -5.235881153241985e-11 -5.8027394127817904e-09 -1.5566230544644283e-09 ] [ -1.3789854066394559e-10 -7.367897582540544e-10 6.172763545314509e-10 ] [ -1.871297752584342e-09 -2.478959445214372e-09 -6.441805529573783e-09 ] [ -1.6837480788771282e-09 4.734011663536364e-09 5.573022373027066e-10 ] [ 1.5743090015284532e-09 -4.940497783160137e-09 -1.7590747331393646e-09 ] [ -2.5685821612463444e-09 2.484245186104053e-09 -4.165192980683347e-09 ] [ 2.414512211078016e-11 9.98912582558742e-10 1.0420915629246259e-09 ] [ 1.6302065405632339e-09 2.4631510889322626e-10 -5.16123782730852e-09 ] [ -3.7451214968290367e-10 -9.338331295278182e-10 2.009063633024085e-09 ] [ 2.44556239398912e-12 -7.364398428800717e-10 2.090279568109058e-09 ] [ -3.5132661921561927e-09 6.687590958876173e-10 -4.5685313319100226e-10 ] [ -4.245069976766318e-09 -2.9582613159100515e-09 -4.056107183279559e-10 ] [ 6.9870382499566795e-09 1.641271652959465e-09 -4.927226633774726e-10 ] [ 9.028165923257512e-10 2.6840476657364967e-09 7.313397942607411e-10 ] [ -1.6892151861602844e-09 -1.0699596628491591e-09 -1.2355936432134355e-09 ] [ -3.22369952429616e-10 2.2798957292217793e-10 -1.0434538937052922e-09 ] [ 3.18985738840565e-09 5.474854928641043e-09 3.3688139480248644e-09 ] [ 3.927321022146413e-10 1.4909306086583866e-09 4.773337569346887e-09 ] [ -1.1202313188976628e-09 2.844969003788352e-11 -3.0075607711850535e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -237.97469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.812774846601276e-17 } }