{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07433999e-09 0.0 0.0 ] "source-value" [ 10.7433999 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.07433999e-09 0.0 ] "source-value" [ 0 10.7433999 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.07433999e-09 ] "source-value" [ 0 0 10.7433999 ] } "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" [ [ 1.527066580816896e-10 -8.374442614085454e-10 2.9904979106088577e-10 ] [ -8.484241380085497e-10 4.540967485325779e-10 4.4571287871125567e-10 ] [ -1.8120008754132096e-10 1.3030736374753037e-09 -1.889400746222761e-09 ] [ -3.861575704511885e-10 -4.463136949440557e-10 1.307446297908791e-09 ] [ 4.446241996974221e-10 -4.063945031308512e-10 4.964792869002624e-11 ] [ -5.065443206497901e-10 3.3584249541626117e-10 -8.533118982256244e-10 ] [ 6.485082242713536e-11 -5.3636066734521604e-11 -1.8200373933431423e-10 ] [ -7.650563195041805e-10 1.3321742918742184e-09 -1.2023390254897728e-10 ] [ -6.062202143242963e-10 3.824667963875136e-11 -6.532939258376833e-11 ] [ -1.2429107838406291e-09 -8.632215208429345e-10 -1.6491670191291053e-09 ] [ -1.4054908553479987e-09 -5.640948253042503e-10 -1.082480833358373e-09 ] [ 2.601669992383782e-09 8.240233085090899e-10 9.606484391948237e-10 ] [ 4.114022663768237e-10 1.4471884632102912e-10 -1.6187104426560079e-09 ] [ -1.100066484165936e-09 2.59359117699106e-09 -3.4350186096965763e-10 ] [ 8.366712111890092e-10 -5.026154631402643e-10 3.824493326623469e-10 ] [ 7.655456242441728e-11 -6.949952187062036e-10 -2.150415825611827e-10 ] [ 1.056064625887609e-09 -4.3253898144672767e-10 -3.298923318819341e-10 ] [ -1.0126341037922593e-09 -9.252848763852019e-10 8.564050604097408e-10 ] [ 9.905537066927041e-11 -5.864145875909529e-10 -7.32613364456615e-10 ] [ 1.0976784399126336e-09 4.988348069681627e-10 -1.0255404375611137e-10 ] [ -6.696790657032806e-10 3.341147081483904e-11 3.1253931711971136e-10 ] [ 1.2270844831803667e-09 -5.3665707002006395e-11 7.001239462870465e-11 ] [ 1.1415445938311788e-09 9.319371137147636e-10 4.72087269372217e-10 ] [ 1.4761920257059855e-09 -4.285233820949518e-09 -3.8249547534902594e-10 ] [ -3.4207154983497085e-09 -2.3475247259093817e-09 4.2666732456681985e-10 ] [ -7.855295732354112e-11 -3.9974418841323454e-10 -5.152747412741913e-10 ] [ -2.504496217937979e-09 5.063259760199075e-09 -1.2643523931214713e-09 ] [ -1.018072692331565e-10 -3.085474940689882e-10 -3.7021527220358016e-10 ] [ 1.435910421541156e-09 2.643344689120397e-09 -2.1726572414617727e-10 ] [ -7.994063453834842e-10 1.1197836707498114e-10 -3.994024441400179e-10 ] [ 3.180525670895462e-10 1.91195747043168e-11 1.6281552738356238e-09 ] [ 1.2313983437318708e-09 -5.769396354908659e-10 -6.443327917798867e-10 ] [ 3.487627681217165e-10 3.4509089974216705e-10 3.0983804733704255e-10 ] [ 1.2989614909603586e-10 -5.293200624027725e-10 8.827059111638074e-10 ] [ 1.0575858925890587e-09 -8.7965889166637e-10 1.725443924345138e-09 ] [ -6.398297141694662e-10 8.18864460007776e-11 -1.4876604059576717e-09 ] [ 7.609899952405902e-10 4.999931806650009e-10 -2.202816293736388e-09 ] [ 6.31267522090249e-10 -7.317533160465696e-10 -9.584752468263705e-10 ] [ 1.805452779564e-10 2.147965616905638e-09 1.2114192012704947e-09 ] [ -4.3808603734326144e-10 -2.486134632992963e-09 -5.987245912215456e-10 ] [ -9.33966430622669e-10 -1.1105951878295233e-09 -5.894561596878797e-10 ] [ -1.4960566125389741e-09 -8.789864581386202e-10 2.358538408436085e-09 ] [ 1.6517114358205979e-09 -9.40605850539264e-11 1.0976561696576045e-09 ] [ 2.1358268859558086e-09 1.619031679068478e-09 -1.1817874253217852e-09 ] [ -1.080750322390247e-09 8.788342513596443e-10 2.411950651096681e-09 ] [ -5.2867823044848e-11 6.836115935977575e-10 1.34696991231432e-09 ] [ -1.1926412106217325e-09 2.0894433921306625e-10 -1.3384976023435296e-09 ] [ 1.6464739204472027e-09 -2.3578324894169605e-09 -2.309673783895968e-10 ] [ -6.17779117555058e-10 -1.0585830873178445e-09 -5.693866544650906e-10 ] [ -2.8355994749099137e-09 4.875213571957075e-10 5.490036032776109e-10 ] [ 1.2805942983971694e-09 -1.5068399020676065e-09 5.788255575912097e-10 ] [ -8.820780181461159e-10 -1.3930209544906503e-09 -2.0842544227088775e-09 ] [ 1.1372906546852928e-10 -8.428677894876154e-10 6.944320536239923e-10 ] [ -1.6110155087816297e-09 6.957567332540698e-10 -2.3002209418332479e-10 ] [ 6.012228652263591e-10 -5.691258201112243e-10 1.0288047122083314e-09 ] [ -4.638051377663155e-10 -1.4802205386013248e-10 6.880477002254284e-10 ] [ 5.828290765312647e-10 4.423936494059443e-10 5.645620200068756e-10 ] [ 1.7160809643908447e-09 3.207203513808403e-10 6.514475774998733e-10 ] [ 1.2038769548280787e-09 -4.735019913283833e-10 9.443825012698138e-10 ] [ -3.582675207069504e-11 7.896436423623014e-10 -2.842926228596832e-10 ] [ 9.578382214019404e-10 -1.7474411684780738e-10 -9.694828410819149e-10 ] [ -1.4593412933143835e-09 2.067358348718907e-09 -2.5480183845360385e-10 ] [ -1.2926264846017151e-10 1.020854711815922e-09 6.358338856771911e-10 ] [ 8.27576135165714e-10 9.023973027040877e-10 1.0675224317735982e-09 ] ] "source-value" [ [ 0.095312 -0.5226916 0.1866522 ] [ -0.5295447 0.2834249 0.2781921 ] [ -0.1130962 0.8133146 -1.1792712 ] [ -0.2410206 -0.2785671 0.8160438 ] [ 0.2775126 -0.2536515 0.0309878 ] [ -0.3161601 0.2096164 -0.5325954 ] [ 0.0404767 -0.033477 -0.1135978 ] [ -0.4775106 0.8314778 -0.0750441 ] [ -0.3783729 0.0238717 -0.0407754 ] [ -0.7757639 -0.5387805 -1.0293291 ] [ -0.8772384 -0.3520803 -0.6756314 ] [ 1.6238347 0.5143149 0.5995896 ] [ 0.2567771 0.0903264 -1.0103196 ] [ -0.6866075 1.6187923 -0.214397 ] [ 0.5222091 -0.3137079 0.2387061 ] [ 0.0477816 -0.4337819 -0.1342184 ] [ 0.6591437 -0.2699696 -0.2059026 ] [ -0.6320365 -0.5775174 0.534526 ] [ 0.0618255 -0.3660112 -0.4572613 ] [ 0.685117 0.3113482 -0.0640092 ] [ -0.4179808 0.0208538 0.1950717 ] [ 0.7658859 -0.0334955 0.0436983 ] [ 0.7124961 0.5816694 0.2946537 ] [ 0.9213666 -2.6746326 -0.2387349 ] [ -2.1350427 -1.4652097 0.2663048 ] [ -0.0490289 -0.2495007 -0.3216092 ] [ -1.5631836 3.1602382 -0.7891467 ] [ -0.0635431 -0.1925802 -0.2310702 ] [ 0.8962248 1.649846 -0.1356066 ] [ -0.4989502 0.0698914 -0.2492874 ] [ 0.1985128 0.0119335 1.0162146 ] [ 0.7685784 -0.3600974 -0.4021609 ] [ 0.2176806 0.2153888 0.1933857 ] [ 0.0810748 -0.3303756 0.5509417 ] [ 0.6600932 -0.5490399 1.0769374 ] [ -0.3993503 0.0511095 -0.9285246 ] [ 0.4749726 0.3120712 -1.3748898 ] [ 0.3940062 -0.4567245 -0.5982332 ] [ 0.1126875 1.3406547 0.7561084 ] [ -0.2734318 -1.5517232 -0.3736945 ] [ -0.582936 -0.693179 -0.3679096 ] [ -0.9337651 -0.5486202 1.4720839 ] [ 1.0309172 -0.058708 0.6851031 ] [ 1.3330783 1.0105201 -0.7376137 ] [ -0.6745513 0.5485252 1.5054212 ] [ -0.0329975 0.4266768 0.8407125 ] [ -0.7443881 0.1304128 -0.8354245 ] [ 1.0276482 -1.4716433 -0.1441585 ] [ -0.3855874 -0.6607156 -0.3553832 ] [ -1.769842 0.3042869 0.3426611 ] [ 0.7992841 -0.9404955 0.3612745 ] [ -0.5505498 -0.8694553 -1.3008893 ] [ 0.0709841 -0.5260767 0.4334304 ] [ -1.0055168 0.4342572 -0.1435685 ] [ 0.3752538 -0.3552204 0.6421294 ] [ -0.2894844 -0.0923881 0.4294456 ] [ 0.3637733 0.2761204 0.3523719 ] [ 1.0710935 0.2001779 0.4066016 ] [ 0.7514009 -0.2955367 0.5894372 ] [ -0.0223613 0.4928568 -0.1774415 ] [ 0.5978356 -0.1090667 -0.6051036 ] [ -0.9108492 1.2903436 -0.1590348 ] [ -0.0806794 0.6371674 0.3968563 ] [ 0.5165324 0.5632321 0.6662951 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.7729719e-10 1.9969119e-10 1.3471949e-10 ] [ 3.4444549000000006e-10 4.108199900000001e-10 2.3119239e-10 ] [ 5.0762949e-10 4.7134529e-10 6.245501e-11 ] [ 2.2125089e-10 2.5748289000000003e-10 5.1133239e-10 ] [ 1.0446889e-10 9.121604e-11 3.7832589e-10 ] [ 3.5478219e-10 1.4077169e-10 6.6765029e-10 ] [ 1.433706e-11 3.3185439e-10 5.9532289e-10 ] [ 2.9122509000000003e-10 4.848775900000001e-10 5.6739109e-10 ] [ 4.2125189e-10 5.0943179e-10 7.6850239e-10 ] [ 2.4944709e-10 1.7080079e-10 8.8528579e-10 ] [ 9.651409e-11 1.4588389e-10 1.06910099e-09 ] [ 4.2311379000000003e-10 2.5648719e-10 1.0374959900000001e-09 ] [ 1.1554879e-10 5.1395839e-10 1.05859799e-09 ] [ 2.8193769e-10 4.0515169e-10 9.2533599e-10 ] [ 1.4900869000000002e-10 7.3898979e-10 6.845395000000001e-11 ] [ 3.7683969000000003e-10 6.783521900000001e-10 6.015337000000001e-11 ] [ 1.5270309000000001e-10 9.8339389e-10 3.022891e-11 ] [ 3.3569379000000004e-10 1.04284399e-09 1.6152109e-10 ] [ 4.8116119e-10 8.5489429e-10 1.7208929000000001e-10 ] [ 1.4715699e-10 7.344532900000001e-10 3.0327359e-10 ] [ 3.3613329e-10 6.0553809e-10 3.6836279e-10 ] [ 2.1006098999999999e-10 9.591856900000001e-10 3.4377879e-10 ] [ 6.920094e-11 5.573598900000001e-10 6.070218900000001e-10 ] [ 5.050717900000001e-10 7.7180039e-10 6.0898899e-10 ] [ 2.7005229000000003e-10 8.0018979e-10 6.1190599e-10 ] [ 9.269936e-11 9.3664049e-10 5.4747779e-10 ] [ 4.0233879000000007e-10 9.9191729e-10 5.9104979e-10 ] [ 2.0277999000000003e-10 7.735941900000001e-10 8.3204109e-10 ] [ 3.70966e-11 5.886359900000001e-10 8.4368129e-10 ] [ 4.1426719e-10 7.0846459e-10 9.0576049e-10 ] [ 2.4153439e-10 1.00016199e-09 8.894827900000001e-10 ] [ 4.681525899999999e-10 9.3779889e-10 8.996272900000002e-10 ] [ 6.5723009e-10 1.4427769e-10 1.9320619e-10 ] [ 8.892392900000001e-10 1.8357549e-10 1.6829309e-10 ] [ 5.7042889e-10 3.5773439e-10 2.6315819e-10 ] [ 1.05046499e-09 3.3923329e-10 7.632844000000001e-11 ] [ 9.4341159e-10 5.809774000000001e-11 3.6114269000000005e-10 ] [ 6.4266239e-10 5.2594649e-10 4.0955299e-10 ] [ 8.980920900000002e-10 2.7069539e-10 4.7398489e-10 ] [ 5.426072900000001e-10 2.4266069e-10 5.5907789e-10 ] [ 6.8357889e-10 5.630398e-11 5.687283900000001e-10 ] [ 9.109426900000002e-10 6.954044000000001e-11 5.9702899e-10 ] [ 8.844863900000001e-10 1.9092059e-10 7.957671900000001e-10 ] [ 7.257223900000002e-10 3.9299259e-10 5.8834009e-10 ] [ 5.836154900000001e-10 3.3592499e-10 7.726772900000001e-10 ] [ 6.734257900000001e-10 5.3127120000000006e-11 1.05220099e-09 ] [ 7.274931900000001e-10 2.6230809e-10 9.5052749e-10 ] [ 1.06161799e-09 3.4071239000000005e-10 8.252923900000002e-10 ] [ 8.5597189e-10 4.3472879000000005e-10 1.04893399e-09 ] [ 8.9065789e-10 5.0921349e-10 8.3128999e-10 ] [ 7.209585900000001e-10 6.003993900000001e-10 7.262439e-11 ] [ 8.901741900000001e-10 1.06197799e-09 4.203008e-11 ] [ 5.3841299e-10 7.4135119e-10 3.7855189e-10 ] [ 8.221917900000001e-10 6.032695900000001e-10 2.8369929e-10 ] [ 1.05912499e-09 7.4028229e-10 4.781726900000001e-10 ] [ 7.669667900000001e-10 8.1732539e-10 3.7116739000000003e-10 ] [ 7.1660519e-10 1.05108299e-09 3.5127149000000004e-10 ] [ 6.034706900000001e-10 9.5744799e-10 7.0892909e-10 ] [ 9.6984259e-10 8.6109999e-10 8.004155900000001e-10 ] [ 8.690546900000001e-10 8.2866669e-10 5.872513900000001e-10 ] [ 7.863176900000001e-10 7.230091900000001e-10 8.3655779e-10 ] [ 8.289127900000001e-10 7.8469369e-10 1.0528209900000002e-09 ] [ 6.246266900000001e-10 8.974365900000001e-10 1.06799299e-09 ] [ 9.7178419e-10 1.07502399e-09 8.992828900000002e-10 ] ] "source-value" [ [ 2.7729719 1.9969119 1.3471949 ] [ 3.4444549 4.108199900000001 2.3119239 ] [ 5.076294900000001 4.7134529 0.6245501 ] [ 2.2125089 2.5748289 5.1133239 ] [ 1.0446889 0.9121604 3.7832589 ] [ 3.5478219 1.4077169 6.6765029 ] [ 0.1433706 3.3185439 5.9532289 ] [ 2.9122509 4.848775900000001 5.6739109 ] [ 4.2125189 5.0943179 7.6850239 ] [ 2.4944709 1.7080079 8.8528579 ] [ 0.9651409 1.4588389 10.6910099 ] [ 4.2311379 2.5648719 10.3749599 ] [ 1.1554879 5.1395839 10.5859799 ] [ 2.8193769 4.0515169 9.2533599 ] [ 1.4900869 7.3898979 0.6845395000000001 ] [ 3.7683969 6.7835219 0.6015337000000001 ] [ 1.5270309 9.8339389 0.3022891 ] [ 3.3569379 10.4284399 1.6152109 ] [ 4.8116119 8.5489429 1.7208929 ] [ 1.4715699 7.3445329 3.0327359 ] [ 3.3613329 6.0553809 3.6836279 ] [ 2.1006099 9.5918569 3.4377879 ] [ 0.6920094 5.5735989 6.0702189 ] [ 5.0507179 7.7180039 6.0898899 ] [ 2.7005229 8.0018979 6.1190599 ] [ 0.9269936000000001 9.366404900000001 5.4747779 ] [ 4.0233879 9.9191729 5.9104979 ] [ 2.0277999 7.7359419 8.3204109 ] [ 0.370966 5.8863599 8.4368129 ] [ 4.1426719 7.0846459 9.0576049 ] [ 2.4153439 10.0016199 8.894827900000001 ] [ 4.6815259 9.3779889 8.996272900000001 ] [ 6.5723009 1.4427769 1.9320619 ] [ 8.8923929 1.8357549 1.6829309 ] [ 5.7042889 3.5773439 2.6315819 ] [ 10.5046499 3.3923329 0.7632844000000001 ] [ 9.4341159 0.5809774000000001 3.6114269 ] [ 6.4266239 5.2594649 4.0955299 ] [ 8.980920900000001 2.7069539 4.7398489 ] [ 5.4260729 2.4266069 5.5907789 ] [ 6.8357889 0.5630398 5.687283900000001 ] [ 9.1094269 0.6954044 5.9702899 ] [ 8.8448639 1.9092059 7.957671900000001 ] [ 7.257223900000001 3.9299259 5.8834009 ] [ 5.8361549 3.3592499 7.7267729 ] [ 6.7342579 0.5312712 10.5220099 ] [ 7.2749319 2.6230809 9.5052749 ] [ 10.6161799 3.4071239 8.2529239 ] [ 8.5597189 4.3472879 10.4893399 ] [ 8.9065789 5.0921349 8.3128999 ] [ 7.2095859 6.0039939 0.7262439 ] [ 8.901741900000001 10.6197799 0.4203008 ] [ 5.3841299 7.4135119 3.7855189 ] [ 8.221917900000001 6.0326959 2.8369929 ] [ 10.5912499 7.4028229 4.781726900000001 ] [ 7.6696679 8.1732539 3.7116739 ] [ 7.1660519 10.5108299 3.5127149 ] [ 6.034706900000001 9.5744799 7.0892909 ] [ 9.6984259 8.6109999 8.0041559 ] [ 8.690546900000001 8.2866669 5.8725139 ] [ 7.8631769 7.230091900000001 8.3655779 ] [ 8.2891279 7.8469369 10.5282099 ] [ 6.2462669 8.9743659 10.6799299 ] [ 9.7178419 10.7502399 8.992828900000001 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.891826101022607e-17 "source-value" -180.49359 } }