{ "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" [ 10.6945724 0 0 ] "si-unit" "m" "si-value" [ 1.06945724e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6945724 0 ] "si-unit" "m" "si-value" [ 0.0 1.06945724e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6945724 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06945724e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 4.37986716151 0.8229497 1.2200584 ] [ 0.871090633327 3.3472754 2.5123054 ] [ 1.36400381061 2.8929394 0.2635441 ] [ 4.242087945570001 5.1532134 0.5688467 ] [ 4.583748451110001 3.1138344 1.7270944 ] [ 2.6803857892 1.0081904 4.456076400000001 ] [ 2.9886468741 3.1200254 3.4817754 ] [ 4.858544381460001 1.2919524 5.3526194 ] [ 0.649987652767 3.4900974 7.384421400000001 ] [ 1.94984489484 4.009623400000001 5.4453914 ] [ 3.89640567625 3.9568204 6.791961400000001 ] [ 2.96513119472 1.3005314 10.0992224 ] [ 3.06141782377 0.1844851 8.072203400000001 ] [ 2.08569294755 5.0395424 10.2774924 ] [ 3.99064089059 2.8985104 8.853548400000001 ] [ 0.860142434207 6.2864174 1.2173184 ] [ 4.53696399989 7.182718400000001 1.7461654 ] [ 0.99493313615 8.548064400000001 0.3039335 ] [ 1.26162146062 10.5213224 1.5264784 ] [ 1.58240244853 6.3016234 5.035657400000001 ] [ 4.592299440040001 6.230743400000001 3.9663784 ] [ 1.83255629721 9.458881400000001 4.748924400000001 ] [ 5.15348595726 8.3626124 4.906501400000001 ] [ 3.1465402768 10.1169824 2.7894934 ] [ 0.252561697193 6.8495964 6.9865224 ] [ 4.300179415000001 6.1296074 7.5720454 ] [ 0.426356285132 9.049028400000001 7.906697400000001 ] [ 0.214191176268 10.5545924 6.1345074 ] [ 4.76337551677 10.0354324 6.6275944 ] [ 0.230012496264 5.3231374 8.8051984 ] [ 2.45043671893 8.810713400000001 9.1103944 ] [ 4.42199699156 8.1673304 10.2665024 ] [ 6.81151044107 3.5113464 2.3926344 ] [ 9.199742877490001 3.0760704 2.2442454 ] [ 6.692700069800001 1.7513584 3.9186074 ] [ 10.4327062342 1.4580904 3.4213294 ] [ 6.413635072040001 2.0192744 7.0626344 ] [ 9.800853335400001 1.7241974 7.0643364 ] [ 8.20257562462 2.5669464 5.5673694 ] [ 7.53344567698 4.174795400000001 7.163098400000001 ] [ 5.78637312828 5.0371934 5.7692174 ] [ 10.3731160862 4.913941400000001 5.5997374 ] [ 7.6207506582 1.8982364 10.4419024 ] [ 8.691019306780001 0.610769 8.8081944 ] [ 6.302446536340001 3.3145944 9.0810904 ] [ 9.70472822426 3.0182724 10.6504224 ] [ 6.865841880820001 7.287835400000001 1.9961204 ] [ 6.49769660193 10.6992224 0.5676766 ] [ 9.78118294553 10.2925124 2.1933554 ] [ 6.83373813049 5.532843400000001 3.5908464 ] [ 10.535090902 6.2378124 3.4511934 ] [ 7.26016184743 8.6703154 3.9140054 ] [ 7.4990753971 10.6198724 2.6938484 ] [ 10.5521250899 8.6104514 3.6633014 ] [ 6.19023623027 7.202099400000001 6.653628400000001 ] [ 8.592656121940001 7.2823234 6.7826024 ] [ 6.97685771248 10.4330324 7.414711400000001 ] [ 9.07984220812 9.1630284 5.4088424 ] [ 7.53280828973 6.3452744 10.6057924 ] [ 5.647349866460001 5.5484464 9.4304624 ] [ 8.16766046124 7.962225400000001 9.049068400000001 ] [ 9.66144701202 5.366831400000001 10.7906224 ] [ 6.258374784570001 9.3208374 9.3593854 ] [ 9.801871172290001 9.4376324 9.803732400000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.37986716151e-10 8.229497000000001e-11 1.2200584e-10 ] [ 8.71090633327e-11 3.3472754e-10 2.5123054e-10 ] [ 1.3640038106100002e-10 2.8929394e-10 2.635441e-11 ] [ 4.242087945570001e-10 5.1532134e-10 5.688467000000001e-11 ] [ 4.583748451110001e-10 3.1138344000000004e-10 1.7270944e-10 ] [ 2.6803857892e-10 1.0081904e-10 4.4560764000000006e-10 ] [ 2.9886468741e-10 3.1200254e-10 3.4817754000000003e-10 ] [ 4.85854438146e-10 1.2919524e-10 5.3526194e-10 ] [ 6.49987652767e-11 3.4900974e-10 7.384421400000001e-10 ] [ 1.94984489484e-10 4.0096234000000006e-10 5.445391400000001e-10 ] [ 3.89640567625e-10 3.9568204e-10 6.791961400000001e-10 ] [ 2.96513119472e-10 1.3005313999999998e-10 1.00992224e-09 ] [ 3.0614178237699997e-10 1.844851e-11 8.072203400000001e-10 ] [ 2.08569294755e-10 5.039542400000001e-10 1.02774924e-09 ] [ 3.99064089059e-10 2.8985104e-10 8.853548400000001e-10 ] [ 8.60142434207e-11 6.2864174e-10 1.2173184e-10 ] [ 4.5369639998900003e-10 7.182718400000001e-10 1.7461654e-10 ] [ 9.9493313615e-11 8.548064400000001e-10 3.0393350000000006e-11 ] [ 1.26162146062e-10 1.05213224e-09 1.5264784e-10 ] [ 1.58240244853e-10 6.301623400000001e-10 5.035657400000001e-10 ] [ 4.592299440040001e-10 6.230743400000001e-10 3.9663784000000003e-10 ] [ 1.83255629721e-10 9.458881400000001e-10 4.748924400000001e-10 ] [ 5.15348595726e-10 8.3626124e-10 4.906501400000001e-10 ] [ 3.1465402768000003e-10 1.01169824e-09 2.7894934e-10 ] [ 2.52561697193e-11 6.8495964e-10 6.9865224e-10 ] [ 4.3001794150000007e-10 6.1296074e-10 7.572045400000001e-10 ] [ 4.263562851320001e-11 9.049028400000001e-10 7.906697400000002e-10 ] [ 2.14191176268e-11 1.0554592400000001e-09 6.134507400000001e-10 ] [ 4.76337551677e-10 1.00354324e-09 6.627594400000001e-10 ] [ 2.30012496264e-11 5.3231374e-10 8.805198400000001e-10 ] [ 2.45043671893e-10 8.810713400000001e-10 9.110394400000001e-10 ] [ 4.4219969915600006e-10 8.167330400000001e-10 1.02665024e-09 ] [ 6.811510441070001e-10 3.5113464e-10 2.3926344e-10 ] [ 9.199742877490002e-10 3.0760704e-10 2.2442454000000002e-10 ] [ 6.692700069800001e-10 1.7513584e-10 3.9186074e-10 ] [ 1.0432706234199999e-09 1.4580904e-10 3.4213294e-10 ] [ 6.413635072040001e-10 2.0192744000000002e-10 7.0626344e-10 ] [ 9.800853335400002e-10 1.7241974000000002e-10 7.064336400000001e-10 ] [ 8.20257562462e-10 2.5669464e-10 5.5673694e-10 ] [ 7.53344567698e-10 4.174795400000001e-10 7.163098400000001e-10 ] [ 5.78637312828e-10 5.0371934e-10 5.7692174e-10 ] [ 1.03731160862e-09 4.9139414e-10 5.599737400000001e-10 ] [ 7.6207506582e-10 1.8982364e-10 1.0441902400000001e-09 ] [ 8.691019306780002e-10 6.10769e-11 8.8081944e-10 ] [ 6.302446536340001e-10 3.3145944e-10 9.081090400000001e-10 ] [ 9.70472822426e-10 3.0182724e-10 1.0650422400000001e-09 ] [ 6.865841880820001e-10 7.287835400000002e-10 1.9961204e-10 ] [ 6.497696601930001e-10 1.06992224e-09 5.676766e-11 ] [ 9.781182945530002e-10 1.02925124e-09 2.1933554000000003e-10 ] [ 6.833738130489999e-10 5.532843400000001e-10 3.5908464000000006e-10 ] [ 1.0535090902000002e-09 6.2378124e-10 3.4511934000000005e-10 ] [ 7.260161847430001e-10 8.6703154e-10 3.9140054000000004e-10 ] [ 7.4990753971e-10 1.06198724e-09 2.6938484e-10 ] [ 1.05521250899e-09 8.610451400000001e-10 3.6633014e-10 ] [ 6.19023623027e-10 7.202099400000001e-10 6.653628400000002e-10 ] [ 8.592656121940002e-10 7.282323400000001e-10 6.7826024e-10 ] [ 6.97685771248e-10 1.04330324e-09 7.414711400000001e-10 ] [ 9.079842208120001e-10 9.163028400000001e-10 5.408842400000001e-10 ] [ 7.53280828973e-10 6.345274400000001e-10 1.06057924e-09 ] [ 5.647349866460001e-10 5.5484464e-10 9.4304624e-10 ] [ 8.167660461240001e-10 7.962225400000001e-10 9.049068400000001e-10 ] [ 9.661447012020001e-10 5.366831400000001e-10 1.07906224e-09 ] [ 6.258374784570001e-10 9.3208374e-10 9.3593854e-10 ] [ 9.80187117229e-10 9.4376324e-10 9.803732400000002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2775231 -0.8023125 -0.2733603 ] [ 2.378192 2.5304201 0.9674631 ] [ 1.4072458 -1.9505058 -0.9184143 ] [ -0.8050174 -0.3671871 -0.1126138 ] [ 0.2217686 0.3511276 0.4406249 ] [ -0.5716832 1.5086711 1.2787975 ] [ 0.5722882 0.5995143 -0.2522199 ] [ -1.2308614 1.1746241 -0.7870807 ] [ 0.0080121 -2.4552215 1.8304325 ] [ 3.3138443 -1.9672626 -0.3735298 ] [ -2.2716534 -2.3875135 -1.7514769 ] [ -1.2834041 -1.1477779 1.8621611 ] [ -1.1238444 -1.1325307 -1.0030274 ] [ 2.1322047 -0.2030278 -0.6211236 ] [ -0.6097755 0.5249414 0.1395102 ] [ -0.1029376 1.6387368 1.371373 ] [ -1.6612534 1.1440441 0.0264676 ] [ 0.4762473 -0.7940948 0.5790653 ] [ 2.090655 1.2048018 -2.3086909 ] [ 5.0537951 4.1247372 -1.5396263 ] [ -4.8372823 -0.1982203 -0.5100132 ] [ 0.8615638 -3.0885711 1.2110059 ] [ -1.8842764 2.4380377 -0.4750823 ] [ 2.3413579 -1.6595883 -1.7246642 ] [ 0.2211829 1.693607 2.664322 ] [ -2.9112946 2.7604877 2.6552853 ] [ 0.9020382 -0.0751726 -0.304779 ] [ 0.6148204 2.0848526 0.1268353 ] [ -1.01149 -1.074278 0.3371763 ] [ -0.083643 0.0206565 -1.0191552 ] [ 1.3464422 -0.123564 0.0668847 ] [ -0.2851213 -0.3368636 -0.971617 ] [ 0.0105228 0.5151067 -0.0380852 ] [ -3.3134824 1.1696937 -0.0229269 ] [ 0.0622859 -0.6861031 -0.7550862 ] [ 0.1446522 -1.2113554 3.2120212 ] [ -2.2986296 -2.2491027 0.2217053 ] [ 1.5493427 0.0354445 -0.3162281 ] [ 3.2861069 0.354365 -2.7129955 ] [ 2.9224253 4.4597935 -0.2539198 ] [ 1.7133556 -2.008834 -1.2039729 ] [ -6.6568234 -2.359809 -0.441807 ] [ -0.6199828 1.1578307 0.7934687 ] [ 1.7143088 0.7278293 1.1463243 ] [ 0.8095756 -0.6463013 3.2244364 ] [ -0.8409465 -0.8378091 -1.7574174 ] [ 1.3276287 0.4213224 -0.8954841 ] [ -0.7345571 -0.0792321 0.6385428 ] [ -1.8694495 -0.783712 -1.2372463 ] [ 2.9931177 -1.8157802 -1.0156048 ] [ -0.9579482 -0.4854974 -3.1781748 ] [ 0.2927807 0.683972 -0.353986 ] [ -0.7803087 -0.0585712 -0.3369455 ] [ 0.1118387 -1.197632 -0.6824741 ] [ 1.0755621 2.1167528 1.5862078 ] [ -0.106233 -0.9372861 0.106415 ] [ 0.9351275 -1.576057 -1.3723901 ] [ -1.8809361 0.0009169 1.0116224 ] [ 1.0658368 0.3639276 0.1494783 ] [ 0.2801923 1.0572428 1.1585228 ] [ -0.1155236 -1.0509529 0.3527072 ] [ -2.3448199 0.9682292 0.4109811 ] [ -0.8310576 -0.4851055 0.7057829 ] [ -0.4896054 0.401146 1.2455985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.446410225519405e-10 -1.2854463300756e-09 -4.3797148171487426e-10 ] [ 3.810283622173594e-09 4.0541799250223985e-09 1.5500467603066926e-09 ] [ 2.254656320478993e-09 -3.1250547914948007e-09 -1.4714619196683974e-09 ] [ -1.289780057617202e-09 -5.882985870793517e-10 -1.8042719753944705e-10 ] [ 3.553124661475469e-10 5.625684316376141e-10 7.05958913322338e-10 ] [ -9.159374575441305e-10 2.4171575648966187e-09 2.048859457237488e-09 ] [ 9.169067743997146e-10 9.605277952952776e-10 -4.041008270805139e-10 ] [ -1.9720573585251574e-09 1.8819552712482414e-09 -1.2610422962228984e-09 ] [ 1.2836799303511679e-11 -3.933698486185507e-09 2.932676157452496e-09 ] [ 5.309363862431342e-09 -3.151902144694222e-09 -5.984607127320999e-10 ] [ -3.639589968040831e-09 -3.82521831154438e-09 -2.8061753410512595e-09 ] [ -2.0562400440588654e-09 -1.8389429172509203e-09 2.983510978583211e-09 ] [ -1.8005972230970037e-09 -1.8145142098782586e-09 -1.6070270503018097e-09 ] [ 3.416168521099878e-09 -3.252863945324583e-10 -9.95149710547131e-10 ] [ -9.769680500366304e-10 8.410488383700212e-10 2.2351998080313218e-10 ] [ -1.6492421612126208e-10 2.6255457886046054e-09 2.1971817589963582e-09 ] [ -2.661621358704511e-09 1.8329607101841772e-09 4.2405769928686084e-11 ] [ 7.630322897791238e-10 -1.272280123258852e-09 9.277648855765383e-10 ] [ 3.3495985631586242e-09 1.9303052766577575e-09 -3.6989305846337114e-09 ] [ 8.097072355533599e-09 6.6085575087840545e-09 -2.466753262628807e-09 ] [ -7.750180609269652e-09 -3.1758393042796224e-10 -8.171312253393947e-10 ] [ 1.3803773776876071e-09 -4.948436408098539e-09 1.9402453406308627e-09 ] [ -3.0189435952051895e-09 3.906167003569005e-09 -7.611657540158919e-10 ] [ 3.751268888305385e-09 -2.658953574413217e-09 -2.7632166599707355e-09 ] [ 3.5437407130074433e-10 2.713457540223226e-09 4.2687144186830975e-09 ] [ -4.664408144381288e-09 4.422788854945964e-09 4.2542360292139144e-09 ] [ 1.4452245151085146e-09 -1.204397822447501e-10 -4.883097883108032e-10 ] [ 9.850508708709045e-10 3.340302093534094e-09 2.0321255235215427e-10 ] [ -1.620585630172992e-09 -1.7211830958397826e-09 5.40215984947847e-10 ] [ -1.340108590935744e-10 3.30953613675552e-11 -1.632866634406748e-09 ] [ 2.1572382140985178e-09 -1.979713519725312e-10 1.0716110262922178e-10 ] [ -4.568146809521031e-10 -5.397149843185229e-10 -1.5567020417718335e-09 ] [ 1.6859384145354242e-11 8.252919119574395e-10 -6.101921703849216e-11 ] [ -5.308784034712274e-09 1.8740558996370493e-09 -3.673294316741952e-11 ] [ 9.979301278548672e-11 -1.0992583462784045e-09 -1.2097814563287131e-09 ] [ 2.317583729872858e-10 -1.940805301359832e-09 5.1462252721539615e-09 ] [ -3.6828106049988557e-09 -3.6034597637181562e-09 3.5521104836745027e-10 ] [ 2.4823206515471482e-09 5.6788349235945594e-11 -5.066532686600045e-10 ] [ 5.2649236486295635e-09 5.67755318229792e-10 -4.346697962435606e-09 ] [ 4.682241491694426e-09 7.145376879295805e-09 -4.068243671182118e-10 ] [ 2.745098285436757e-09 -3.2185068698681468e-09 -1.9289772324567764e-09 ] [ -1.0665406820274368e-08 -3.780830809353427e-09 -7.078528463057856e-10 ] [ -9.933219474581222e-10 1.8550492783844987e-09 1.271277000476569e-09 ] [ 2.746625480191703e-09 1.1661110883932295e-09 1.8366139933149256e-09 ] [ 1.2970830990901325e-09 -1.035488832852647e-09 5.166116615336517e-09 ] [ -1.3473448216435874e-09 -1.3423181527134893e-09 -2.815693071267122e-09 ] [ 2.127095664243097e-09 6.750328990993459e-10 -1.4347236893181293e-09 ] [ -1.1768902122626477e-09 -1.269438182368877e-10 1.0230583455401702e-09 ] [ -2.9951882826662497e-09 -1.2556450438404097e-09 -1.9822870960313033e-09 ] [ 4.795503202242669e-09 -2.909200584951548e-09 -1.6271782665322598e-09 ] [ -1.5348022099774426e-09 -7.77852583739186e-10 -5.0919973613757155e-09 ] [ 4.690863925614586e-10 1.0958439476818177e-09 -5.671480932905089e-10 ] [ -1.2501923561468409e-09 -9.384140729220096e-11 -5.398462025837665e-10 ] [ 1.7918535044066496e-10 -1.9188179907219456e-09 -1.0934440473215213e-09 ] [ 1.7232404508385517e-09 3.3914118481729385e-09 2.5413850528906022e-09 ] [ -1.702040289574464e-10 -1.501697876420811e-09 1.70495625102432e-10 ] [ 1.498239417967152e-09 -2.5251216784481857e-09 -2.1988113328373744e-09 ] [ -3.013591844638731e-09 1.46903574361152e-12 1.6207977583575861e-09 ] [ 1.7076588025482855e-09 5.830762923838541e-10 2.3949063757692864e-10 ] [ 4.4891755238817986e-10 1.6938896966691303e-09 1.8561581448237545e-09 ] [ -1.8508921107065089e-10 -1.6838121659419604e-09 5.650992298278298e-10 ] [ -3.756815623766594e-09 1.5512741878158875e-09 6.584643100106669e-10 ] [ -1.331501057258158e-09 -7.772246907214945e-10 1.1307888617404243e-09 ] [ -7.844343252974324e-10 6.427067427274368e-10 1.995668795603549e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -253.74203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.065395481803322e-17 } }