{ "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" [ [ -1.3680333 -0.5096919 -2.0336353 ] [ 3.7348596 0.2410568 2.8320243 ] [ 2.434924 0.3976052 -0.4675161 ] [ -0.1364415 -0.1898683 1.0921035 ] [ 0.5723565 0.416723 0.3316167 ] [ -2.2699886 -1.2906739 -0.6719421 ] [ 0.21415 0.5518319 -1.1840194 ] [ 3.4401704 -0.0752411 -1.3007056 ] [ 0.0825589 -0.0017348 0.1489153 ] [ 0.6679746 -1.5745828 0.7899943 ] [ -1.7563236 1.3565664 0.9378887 ] [ -0.7827878 -1.5519465 -2.1460795 ] [ 1.7067632 -0.5146026 0.2675763 ] [ 1.0070257 -1.4777728 1.5020521 ] [ 0.5158875 -0.8153801 1.0993712 ] [ -3.3880847 -1.4682195 0.4593547 ] [ -1.7024949 2.249947 2.934189 ] [ 1.5995568 -2.5826284 -0.521114 ] [ -0.8899895 0.071101 2.0985339 ] [ -1.8893702 1.1730375 0.1655532 ] [ 0.0012652 -1.5818585 0.6887331 ] [ 0.8277356 -0.1752804 -0.2902545 ] [ -0.4296216 0.843928 -0.2255523 ] [ 2.7276728 0.5925358 -2.460261 ] [ 1.7661499 -1.2490738 -0.9800405 ] [ 2.0280698 1.2087805 -1.4519278 ] [ 0.2653918 0.8090949 1.2248738 ] [ -1.3390329 0.7331574 -1.3969379 ] [ 0.4635221 1.6154935 -1.4334309 ] [ 0.2188584 -0.6260096 1.6922778 ] [ 0.639562 1.987369 -1.8887314 ] [ 0.3836723 -1.8612697 0.5232994 ] [ 1.0142855 0.0260015 1.3703667 ] [ -1.3165212 -2.5803704 0.9329923 ] [ -2.498137 1.1751409 0.9369675 ] [ 1.1217952 3.4007482 2.3076624 ] [ -1.2539074 -1.0393095 0.4402945 ] [ -3.2342037 -1.0636075 -0.4626541 ] [ 0.1738974 1.5130878 -0.4383638 ] [ -0.4230804 -1.395884 -2.4729906 ] [ 0.1887168 -0.5779957 -0.0974211 ] [ -1.849867 0.6358219 -2.0771474 ] [ -0.2414276 -2.007312 0.848072 ] [ 0.0248514 1.3496473 -1.7800213 ] [ 0.0460483 0.3674354 0.3769539 ] [ -0.5448144 -1.6929424 -0.1206073 ] [ 1.4001933 -0.3506734 0.8641986 ] [ -2.50931 1.0305835 -2.3977607 ] [ -0.7532294 0.5612691 -0.5838841 ] [ 1.276009 -0.0740848 1.6632757 ] [ -0.8023704 1.0133383 -2.5870107 ] [ -0.7408915 1.9781797 -2.1019679 ] [ 0.7431183 -1.0803144 0.1462726 ] [ -0.3174099 0.4543038 0.1273011 ] [ 1.2007685 -2.5020976 3.5306256 ] [ -1.1792154 -0.1147789 -1.3564911 ] [ 1.9822649 -0.6765048 1.7292429 ] [ -0.4845183 -0.9072874 0.1362494 ] [ -0.9694449 1.8340248 2.6770379 ] [ -0.9182789 0.7659676 -0.5241398 ] [ -0.8930086 -0.0091412 -1.1740102 ] [ 0.5185559 1.2947705 0.5476593 ] [ 1.2178522 1.4739902 0.0218285 ] [ 0.6753209 0.4956002 -0.8187397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.191830969735873e-09 -8.166164459911315e-10 -3.258242932893594e-09 ] [ 5.98390473309044e-09 3.8621556924486144e-10 4.537403122997485e-09 ] [ 3.90117830622482e-09 6.370337557485082e-10 -7.490433652675949e-10 ] [ -2.186033814068832e-10 -3.0420255129104063e-10 1.7497426951938528e-09 ] [ 9.170162030629153e-10 6.676638479496384e-10 5.313085238068473e-10 ] [ -3.636922664402523e-09 -2.0678875476567574e-09 -1.0765699231512558e-09 ] [ 3.4310612334432e-10 8.841321687916436e-10 -1.8970082012536436e-09 ] [ 5.511760586448185e-09 -1.205495313432749e-10 -2.0839601028636364e-09 ] [ 1.3227393941896512e-10 -2.7794560017638403e-12 2.3858861213941824e-10 ] [ 1.0702132874082317e-09 -2.522759749673802e-09 1.2657103980252615e-09 ] [ -2.813940610479291e-09 2.1734589706428213e-09 1.502663348052505e-09 ] [ -1.2541643122074664e-09 -2.486492399032387e-09 -3.4383984012781536e-09 ] [ 2.7345360962817946e-09 -8.244842547228941e-10 4.2870449214016706e-10 ] [ 1.6134330330847548e-09 -2.3676530310141547e-09 2.406552757843544e-09 ] [ 8.265428914629601e-10 -1.3063829332855662e-09 1.761386834220841e-09 ] [ -5.428310095630181e-09 -2.3523469571026656e-09 7.359673609945977e-10 ] [ -2.7276975258112343e-09 3.6048124814390978e-09 4.701089016808531e-09 ] [ 2.5627725086016616e-09 -4.137826842694111e-09 -8.349166675715712e-10 ] [ -1.4259203696574816e-09 1.139163599155008e-10 3.362221952536245e-09 ] [ -3.0271047624762203e-09 1.87941325782168e-09 2.652454665386266e-10 ] [ 2.02707386063616e-12 -2.534416706113757e-09 1.1034720707911085e-09 ] [ 1.3261786265238605e-09 -2.8083015896447233e-10 -4.6503897398199364e-10 ] [ -6.883296833106893e-10 1.3521217112385024e-09 -3.613746218276679e-10 ] [ 4.370213589352074e-09 9.493470057470246e-10 -3.941772655266029e-09 ] [ 2.829684078608258e-09 -2.001236840013815e-09 -1.5701979765371425e-09 ] [ 3.249326018910532e-09 1.9366798567789345e-09 -2.3262447762495782e-09 ] [ 4.2520453731202945e-10 1.2963129327885138e-09 1.962464165790455e-09 ] [ -2.1453672068620244e-09 1.1746476456465138e-09 -2.2381412440894482e-09 ] [ 7.426442718441197e-10 2.5883059167543647e-09 -2.296609475512303e-09 ] [ 3.5064981174569474e-10 -1.0029779455163599e-09 2.7113279270588585e-09 ] [ 1.0246912839520895e-09 3.184116148702675e-09 -3.026081292050853e-09 ] [ 6.147107891085639e-10 -2.98208279834343e-09 8.384180643586675e-10 ] [ 1.6250645149164383e-09 4.16589954057312e-11 2.1955694886628473e-09 ] [ -2.109299487427561e-09 -4.134209127884345e-09 1.4948184504464198e-09 ] [ -4.002456696955449e-09 1.8827832761258708e-09 1.5011874229494239e-09 ] [ 1.7973140427656603e-09 5.448599259267683e-09 3.697282745979218e-09 ] [ -2.008981120928114e-09 -1.6651573826753378e-09 7.054295541668256e-10 ] [ -5.181765555044857e-09 -1.7040870702075361e-09 -7.412535825372653e-10 ] [ 2.7861434869790597e-10 2.4242338983777065e-09 -7.023362317650471e-10 ] [ -6.778495255987123e-10 -2.236452710148787e-09 -3.962167722778165e-09 ] [ 3.0235764491218943e-10 -9.260511974629306e-10 -1.5608580879261887e-10 ] [ -2.9638136589894335e-09 1.0186989831726355e-09 -3.3279570022355057e-09 ] [ -3.868096563358541e-10 -3.21606835705129e-09 1.3587611311550978e-09 ] [ 3.981633207414912e-11 2.162373350385844e-09 -2.851908511386023e-09 ] [ 7.377750968758465e-11 5.886964075342964e-10 6.039467256993812e-10 ] [ -8.728888943551796e-10 -2.7123927336410418e-09 -1.9323419635781184e-10 ] [ 2.2433569698608007e-09 -5.618407230164468e-10 1.384598792648091e-09 ] [ -4.020357816339648e-09 1.651176789482237e-09 -3.841636135813043e-09 ] [ -1.2068065347792117e-09 8.992522299974572e-10 -9.354854542768493e-10 ] [ 2.0443917877303873e-09 -1.1869693451664384e-10 2.6648614404847548e-09 ] [ -1.2855390961019445e-09 1.6235469332212167e-09 -4.144848061299443e-09 ] [ -1.1870390398494433e-09 3.1693932670811582e-09 -3.3677238270520726e-09 ] [ 1.1906067667486406e-09 -1.7308544747935796e-09 2.343545399836301e-10 ] [ -5.08546720990466e-10 7.27874927100599e-10 2.039588462221229e-10 ] [ 1.923843217693085e-09 -4.0088022776797905e-09 5.656685793117973e-09 ] [ -1.8893113447673204e-09 -1.8389607014114113e-10 -2.173338326743275e-09 ] [ 3.17593847901245e-09 -1.08388017441898e-09 2.7705525460643926e-09 ] [ -7.762838926097607e-10 -1.4536346606264178e-09 2.1829560327802751e-10 ] [ -1.553221953933794e-09 2.938431656527396e-09 4.289087536375529e-09 ] [ -1.471244984953941e-09 1.227215381010286e-09 -8.39764533590788e-10 ] [ -1.430757501093339e-09 -1.464581692605696e-11 -1.8809716950207322e-09 ] [ 8.308181395579027e-10 2.0744510244015265e-09 8.774469266236935e-10 ] [ 1.951214322429846e-09 2.3615926377283165e-09 3.49731123671328e-11 ] [ 1.0819833575176147e-09 7.940390537038042e-10 -1.3117656058608058e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -280.45545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.493391651659434e-17 } }