{ "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" [ 10.8361 0 0 ] "si-unit" "m" "si-value" [ 1.08361e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.16509 9.32986 0 ] "si-unit" "m" "si-value" [ -5.16509e-10 9.32986e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.338382 0.285992 10.2675 ] "si-unit" "m" "si-value" [ 3.38382e-11 2.85992e-11 1.02675e-09 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6691902 -2.4389562 0.7153832 ] [ -1.5183966 -1.0091911 0.1768916 ] [ 0.3784309 -3.641483 -0.5154204 ] [ -1.4812614 0.214048 -0.8370555 ] [ -1.3576567 1.4155599 -1.0347343 ] [ 0.8059981 -2.5752244 0.1886153 ] [ -0.6225902 -0.9981404 -0.7616074 ] [ -0.116091 1.1427113 -0.4344808 ] [ -0.0186406 -1.3504907 6.9184125 ] [ -1.2205489 1.6445244 -6.318216 ] [ -4.4387395 1.4748934 2.1605206 ] [ 2.1367735 -1.5807677 -1.8263509 ] [ -5.0434426 -3.0169886 -11.3440512 ] [ -1.3601599 -0.40681920000000005 2.9768111 ] [ -0.5151309 2.28239 -1.4377216 ] [ 0.9335099 2.9924928 7.4908747 ] [ 0.7873307 0.8085737 1.2897401 ] [ -1.2314755 -3.4944597 1.685707 ] [ -2.4274504 -9.2860231 3.7720149 ] [ -1.9497831 -0.3783078999999999 -4.661217 ] [ -0.287337 2.5462113 1.2441592 ] [ -1.0889059 1.7460801 1.9705623 ] [ -2.4595231 6.2933695 -2.4648334 ] [ 0.2263248 -1.0302067 0.3515838 ] [ -0.0251617 -2.9044214 -0.6423597 ] [ -0.2213488 -0.5367888 -0.1433662 ] [ 3.6035199 -2.1374534 0.251316 ] [ 2.1454017 -0.110505 0.6186337 ] [ -1.0691812 1.2352855 1.5568579 ] [ -1.962617 1.2892345 -0.739432 ] [ -1.3317976 2.7671604 1.0548455 ] [ -1.3571333 -1.7712506 -2.8076455 ] [ 0.6029049 -3.4683913 -0.3695458 ] [ 3.3815985 -6.0823163 0.791116 ] [ -1.2198958 -3.2963266 1.2724686 ] [ 4.6891783 1.11085 -1.4646472 ] [ -0.9604285 0.6525968 2.8905812 ] [ -3.733383 3.5790792 -0.8178843 ] [ 0.4717081 5.4906538 0.3249295 ] [ -1.0498886 2.4552642 -3.4467222 ] [ 0.8573749 -0.3756993 -0.683207 ] [ 1.0811292 -2.3235008 0.3094848 ] [ -0.4422989 -2.1812668 -2.626044 ] [ -1.0151847 -3.5339446 2.0127155 ] [ -1.5493659 2.3157906 -1.1366616 ] [ -4.3657466 1.7714681 0.475523 ] [ -2.1886044 0.7644223 -0.1723871 ] [ 0.3809075 -1.2956608 -0.4765887 ] [ 4.2760566 1.0592687 -1.6277604 ] [ 1.7424551 -0.018621900000000004 0.4489434 ] [ 4.869103 -1.7044717 1.3432792 ] [ 1.1198711 -0.8402529 0.2402416 ] [ 0.2974746 2.5254176 0.655311 ] [ 3.2020468 0.9772503 0.6532634 ] [ 1.879775 0.688995 -0.41112 ] [ 1.478472 -0.025214299999999974 -2.2457543 ] [ 0.997341 -1.5407295 6.4291067 ] [ 1.0083394 4.4077044 1.455718 ] [ 1.5725648 4.5553022 -3.0306376 ] [ 0.7740123 0.2688326 -0.4514972 ] [ 0.0694231 2.0277599 0.615232 ] [ 3.3194076 1.1223997 1.6909741 ] [ 4.3231327 0.5764845 -3.6799317 ] [ -2.1132065 1.1517998 2.5770636 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.6743375361417867e-09 -3.9076386349894305e-09 1.1461702473961488e-09 ] [ -2.4327395536650444e-09 -1.6169023996607573e-09 2.834115882708744e-10 ] [ 6.063131455635906e-10 -5.834298975708222e-09 -8.257945215669336e-10 ] [ -2.3732424039261275e-09 3.42942704154432e-10 -1.341110763461187e-09 ] [ -2.1752058417335477e-09 2.267976995807377e-09 -1.657827117858346e-09 ] [ 1.2913513228683956e-09 -4.12596436098667e-09 3.021950264749002e-10 ] [ -9.974994709973867e-10 -1.5991972263314137e-09 -1.2202295805614917e-09 ] [ -1.85998287617694e-10 1.8308253442677642e-09 -6.961149856816272e-10 ] [ -2.98655337637404e-11 -2.163724643974304e-09 1.1084518851873524e-08 ] [ -1.955534928234403e-09 2.6348185677228696e-09 -1.0122898043764943e-08 ] [ -7.1116447113128425e-09 2.3630397431208158e-09 3.4615356225956605e-09 ] [ 3.423488573850399e-09 -2.5326690727219217e-09 -2.9261367374648704e-09 ] [ -8.080485888640207e-09 -4.8337486399643724e-09 -1.817517376753966e-08 ] [ -2.1792164102837765e-09 -6.517962165025729e-10 4.769377188251837e-09 ] [ -8.253306914313905e-10 3.65679192767526e-09 -2.3034839537170945e-09 ] [ 1.4956477493876767e-09 4.794502041573235e-09 1.200170441256176e-08 ] [ 1.261442850770864e-09 1.2954778890069257e-09 2.066391452152823e-09 ] [ -1.973041271443467e-09 -5.59874167979465e-09 2.700800367170238e-09 ] [ -3.889204311073954e-09 -1.4877849233604245e-08 6.043434135879846e-09 ] [ -3.1238969241880856e-09 -6.061160778376085e-10 -7.468092963403577e-09 ] [ -4.60364627483658e-10 4.079480250086764e-09 1.9933627992161325e-09 ] [ -1.7446195896047408e-09 2.797528737312383e-09 3.1571888729012984e-09 ] [ -3.9405904416032454e-09 1.0083089562028263e-08 -3.949098480182775e-09 ] [ 3.6261230625472316e-10 -1.6505731029302476e-09 5.632993492529293e-10 ] [ -4.03134878117178e-11 -4.653396102369567e-09 -1.0291737019632497e-09 ] [ -3.546398753239392e-10 -8.600304727528992e-10 -2.296979757453708e-10 ] [ 5.773475383934017e-09 -3.4245778937438555e-09 4.0265262295034396e-10 ] [ 3.4373124742838774e-09 -1.7704852894017002e-10 9.911604591449656e-10 ] [ -1.713017136152081e-09 1.979145564419007e-09 2.4943613498383086e-09 ] [ -3.1444590988911783e-09 2.065581391646673e-09 -1.184700672831888e-09 ] [ -2.1337749959372785e-09 4.433479735410093e-09 1.690048812580047e-09 ] [ -2.1743672624833124e-09 -2.83785632427848e-09 -4.498344016655247e-09 ] [ 9.659601433041066e-10 -5.556975498428884e-09 -5.920776459528371e-10 ] [ 5.417918102269449e-09 -9.744945056457333e-09 1.267507569983544e-09 ] [ -1.954488546674737e-09 -5.281297456552664e-09 2.0387194584186923e-09 ] [ 7.512891904919841e-09 1.7797779138788997e-09 -2.3466235208935245e-09 ] [ -1.538776101327669e-09 1.045575344383171e-09 4.631221657319681e-09 ] [ -5.981539008372822e-09 5.734317065475412e-09 -1.3103951147754463e-09 ] [ 7.557596958885355e-10 8.796997223743308e-09 5.20594452597303e-10 ] [ -1.6821069832229724e-09 3.9337669315367026e-09 -5.5222577727290745e-09 ] [ 1.3736660313580866e-09 -6.019366398701562e-10 -1.094618291585238e-09 ] [ 1.7321599425751126e-09 -3.7226586908403073e-09 4.958493151381632e-10 ] [ -7.086409628239026e-10 -3.4947746994799513e-09 -4.207386336655896e-09 ] [ -1.6265052055342998e-09 -5.662003463970476e-09 3.224725744989627e-09 ] [ -2.4823578424963806e-09 3.7103055885568405e-09 -1.8211326562850545e-09 ] [ -6.9946971924849436e-09 2.8382047976963755e-09 7.61871839529582e-10 ] [ -3.5065308307495895e-09 1.2247395475685383e-09 -2.761945836230214e-10 ] [ 6.10281096215355e-10 -2.0758774593497475e-09 -7.635792791684358e-10 ] [ 6.850997970181485e-09 1.697135560267556e-09 -2.6079596786304937e-09 ] [ 2.7917208470141334e-09 -2.983557306068461e-11 7.192866254685156e-10 ] [ 7.801163055139303e-09 -2.730864731054258e-09 2.152170547178213e-09 ] [ 1.7942313095118772e-09 -1.3462335630307386e-09 3.849094780347744e-10 ] [ 4.766068533284964e-10 4.046165069812359e-09 1.049923972203174e-09 ] [ 5.130244563934472e-09 1.5657275962294903e-09 1.0466433553273958e-09 ] [ 3.01173158217735e-09 1.1038916899428301e-09 -6.5868685777008e-10 ] [ 2.368773292423248e-09 -4.039776230266616e-11 -3.5980950651650267e-09 ] [ 1.597916446330194e-09 -2.4685208042145033e-09 1.0300564532232849e-08 ] [ 1.6155378258215797e-09 7.0619209992589895e-09 2.332317365293212e-09 ] [ 2.5195265780108833e-09 7.298398745648794e-09 -4.855616748841838e-09 ] [ 1.240104421488598e-09 4.3071731017746834e-10 -7.233782641564247e-10 ] [ 1.1122806867984541e-10 3.2488295311421764e-09 9.85710334889088e-10 ] [ 5.318277295442018e-09 1.7982825733486097e-09 2.7092391917191795e-09 ] [ 6.926422197621332e-09 9.236299957631729e-10 -5.8959005844558974e-09 ] [ -3.385730077116921e-09 1.8453867266058733e-09 4.128911084251922e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -220.91923 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.539516283072718e-17 } }