{ "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" [ 10.6893572 0 0 ] "si-unit" "m" "si-value" [ 1.06893572e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6893572 0 ] "si-unit" "m" "si-value" [ 0.0 1.06893572e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6893572 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06893572e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.8041072 1.4525752 1.7389132 ] [ 3.7755692 1.8618252 0.4301788 ] [ 0.9716442000000001 3.3492292 0.5609447000000001 ] [ 4.8887712 3.0125812 2.1375262 ] [ 2.0887912 2.4729812 3.949492199999999 ] [ 3.8175632 0.893975 4.047542200000001 ] [ 1.4260132 4.8197452 3.8843002 ] [ 0.1970868 3.1542512 5.271383200000001 ] [ 3.8322832 4.9168412 3.1384452 ] [ 0.5072257 0.6030915000000001 7.740278200000001 ] [ 3.4619432 2.1655272 5.9610652 ] [ 1.7706442 3.4129932 6.990520200000001 ] [ 4.776700200000001 4.0794522 5.3646262 ] [ 5.3060912 4.3723092 7.8130062 ] [ 3.2271512 5.2146662 6.8869432 ] [ 0.3003482 2.8906862 8.9028142 ] [ 4.111803200000001 3.9278842 9.8794332 ] [ 2.8180662 6.399420200000001 1.5210082 ] [ 5.0157792 6.8854072 0.9178782000000001 ] [ 1.4816102 9.8530152 2.4661042 ] [ 3.5835682 8.721667199999999 1.7555872 ] [ 4.6544602 10.3208372 0.1727738 ] [ 2.3886272 6.5818002 5.1926462 ] [ 1.0191762 10.3174072 4.7328302 ] [ 4.6830752 8.565600199999999 3.9085102 ] [ 1.3708222 8.4330822 6.1212602 ] [ 3.2247712 9.7333242 5.359230200000001 ] [ 2.5457862 5.7137672 9.9516072 ] [ 0.2455317 5.4071422 8.9415582 ] [ 4.1192782 7.367382200000001 9.478289199999999 ] [ 0.4270172 8.5484122 9.513133199999999 ] [ 2.4768632 8.6236392 8.2620022 ] [ 1.7300662 10.5697672 9.6545052 ] [ 3.9984602 10.4269472 8.576962199999999 ] [ 6.6273942 1.3565192 2.1015402 ] [ 10.6758672 1.2885102 0.1134848 ] [ 7.1824082 5.1748782 2.6562912 ] [ 5.8705622 4.605875200000001 0.7083980000000001 ] [ 9.1265392 4.104731200000001 1.9863282 ] [ 8.154285199999999 0.4328454 4.8250862 ] [ 8.5380842 2.1092032 3.2154162 ] [ 7.142480200000001 3.6073522 4.4727572 ] [ 9.526752199999999 1.5587132 6.4051242 ] [ 6.541602200000001 2.6696412 6.642310200000001 ] [ 9.0601512 4.6280642 5.503444200000001 ] [ 8.481541199999999 1.1342382 9.7559872 ] [ 8.5773832 2.8571062 8.101469199999999 ] [ 10.5234572 7.600282200000001 0.9154392 ] [ 9.497216199999999 5.5870872 0.1445513 ] [ 8.306685199999999 7.6056862 0.01463730000000001 ] [ 7.5811902 8.8173412 1.9196902 ] [ 6.9919222 10.5001172 0.3801874 ] [ 9.8117512 9.5914512 1.9956702 ] [ 9.8841892 5.6316932 3.5438872 ] [ 8.2840312 7.692647200000001 5.3391672 ] [ 6.4473672 10.1493572 3.5051112 ] [ 9.6063522 9.367583199999999 4.311788200000001 ] [ 5.7990532 6.7370392 7.918083200000001 ] [ 5.9003462 7.289022200000001 5.5450152 ] [ 9.7329292 6.412662200000001 6.9110072 ] [ 5.6495372 9.013031199999999 7.2237802 ] [ 7.957818200000001 9.0495722 7.2052252 ] [ 8.0610062 7.0626052 8.425613199999999 ] [ 9.464767199999999 10.0003172 8.6668892 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8041072e-10 1.4525752000000001e-10 1.7389132000000002e-10 ] [ 3.7755692e-10 1.8618252e-10 4.301788e-11 ] [ 9.716442000000001e-11 3.3492292e-10 5.609447000000001e-11 ] [ 4.8887712e-10 3.0125812e-10 2.1375262e-10 ] [ 2.0887912000000002e-10 2.4729812e-10 3.949492199999999e-10 ] [ 3.8175632000000003e-10 8.93975e-11 4.0475422000000016e-10 ] [ 1.4260132000000002e-10 4.8197452e-10 3.8843002000000006e-10 ] [ 1.9708680000000003e-11 3.1542512e-10 5.271383200000001e-10 ] [ 3.8322832e-10 4.916841200000001e-10 3.1384452e-10 ] [ 5.0722570000000004e-11 6.030915000000001e-11 7.740278200000002e-10 ] [ 3.4619432e-10 2.1655272e-10 5.9610652e-10 ] [ 1.7706442e-10 3.4129932e-10 6.990520200000001e-10 ] [ 4.776700200000002e-10 4.079452200000001e-10 5.3646262e-10 ] [ 5.3060912e-10 4.3723092e-10 7.813006200000001e-10 ] [ 3.2271512e-10 5.2146662e-10 6.8869432e-10 ] [ 3.003482e-11 2.8906862e-10 8.902814200000001e-10 ] [ 4.111803200000001e-10 3.9278842e-10 9.8794332e-10 ] [ 2.8180662e-10 6.399420200000001e-10 1.5210082e-10 ] [ 5.0157792e-10 6.885407200000001e-10 9.178782000000001e-11 ] [ 1.4816102e-10 9.8530152e-10 2.4661042000000005e-10 ] [ 3.5835682000000004e-10 8.7216672e-10 1.7555872e-10 ] [ 4.6544602000000003e-10 1.03208372e-09 1.727738e-11 ] [ 2.3886272e-10 6.5818002e-10 5.1926462e-10 ] [ 1.0191762e-10 1.03174072e-09 4.732830200000001e-10 ] [ 4.6830752e-10 8.565600199999999e-10 3.9085102e-10 ] [ 1.3708222000000002e-10 8.4330822e-10 6.1212602e-10 ] [ 3.2247712000000005e-10 9.7333242e-10 5.359230200000001e-10 ] [ 2.5457862e-10 5.7137672e-10 9.9516072e-10 ] [ 2.455317e-11 5.407142200000001e-10 8.941558199999999e-10 ] [ 4.1192782e-10 7.367382200000001e-10 9.4782892e-10 ] [ 4.270172e-11 8.5484122e-10 9.5131332e-10 ] [ 2.4768632e-10 8.6236392e-10 8.262002199999999e-10 ] [ 1.7300662000000002e-10 1.05697672e-09 9.654505199999998e-10 ] [ 3.9984601999999997e-10 1.0426947200000002e-09 8.5769622e-10 ] [ 6.6273942e-10 1.3565192e-10 2.1015402000000001e-10 ] [ 1.0675867200000001e-09 1.2885102e-10 1.134848e-11 ] [ 7.1824082e-10 5.1748782e-10 2.6562912e-10 ] [ 5.870562200000001e-10 4.605875200000001e-10 7.083980000000001e-11 ] [ 9.1265392e-10 4.104731200000001e-10 1.9863282000000002e-10 ] [ 8.154285199999999e-10 4.328454e-11 4.825086200000001e-10 ] [ 8.538084200000001e-10 2.1092032e-10 3.2154162e-10 ] [ 7.142480200000002e-10 3.6073522e-10 4.4727572000000004e-10 ] [ 9.526752199999999e-10 1.5587131999999999e-10 6.4051242e-10 ] [ 6.541602200000001e-10 2.6696412000000003e-10 6.642310200000001e-10 ] [ 9.0601512e-10 4.6280642e-10 5.5034442e-10 ] [ 8.481541199999999e-10 1.1342382e-10 9.755987200000001e-10 ] [ 8.5773832e-10 2.8571062e-10 8.101469199999999e-10 ] [ 1.05234572e-09 7.600282200000001e-10 9.154392e-11 ] [ 9.497216199999999e-10 5.5870872e-10 1.445513e-11 ] [ 8.306685199999999e-10 7.6056862e-10 1.463730000000001e-12 ] [ 7.5811902e-10 8.8173412e-10 1.9196902000000001e-10 ] [ 6.9919222e-10 1.05001172e-09 3.8018740000000004e-11 ] [ 9.8117512e-10 9.591451200000001e-10 1.9956702e-10 ] [ 9.8841892e-10 5.6316932e-10 3.5438872e-10 ] [ 8.2840312e-10 7.692647200000001e-10 5.3391672e-10 ] [ 6.447367200000001e-10 1.0149357200000002e-09 3.5051112e-10 ] [ 9.606352200000001e-10 9.3675832e-10 4.311788200000002e-10 ] [ 5.799053200000001e-10 6.7370392e-10 7.918083200000001e-10 ] [ 5.900346200000001e-10 7.289022200000001e-10 5.5450152e-10 ] [ 9.7329292e-10 6.412662200000001e-10 6.9110072e-10 ] [ 5.6495372e-10 9.013031199999999e-10 7.2237802e-10 ] [ 7.957818200000002e-10 9.049572200000001e-10 7.205225200000001e-10 ] [ 8.0610062e-10 7.0626052e-10 8.425613199999999e-10 ] [ 9.464767199999999e-10 1.00003172e-09 8.6668892e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2474802 -0.0483715 0.3161483 ] [ 0.3402834 -0.1110281 -1.0291056 ] [ 0.0934667 1.1553986 0.5209602 ] [ 0.075035 -0.2523144 0.2736269 ] [ -0.3963479 -0.1301557 -0.6196986 ] [ 1.0933071 -0.3287008 -0.3729828 ] [ -0.2048287 0.8059948 -0.8237059 ] [ -0.2793091 -0.3444617 -0.341287 ] [ 0.2991729 0.7311065 0.1300795 ] [ 0.9748526 -0.154163 -0.8038946 ] [ 0.8340384 -1.1488347 1.5138761 ] [ 0.0457119 -0.0838283 0.936655 ] [ 0.5924619 0.3761076 -0.4794869 ] [ 1.0248946 -0.8014469 0.9456112 ] [ -0.3649146 0.7910766 0.6002858 ] [ 0.1871776 0.5228917 0.0558785 ] [ 0.2522657 -0.9475986 -0.539852 ] [ -1.39776 0.082418 0.7144513 ] [ 1.4671398 0.3727647 0.4245504 ] [ 0.0553317 -0.713897 -0.3552015 ] [ -0.315733 0.1878523 0.0404139 ] [ 0.3272681 0.0294189 -0.3320867 ] [ -0.0866011 0.5632185 -0.5033896 ] [ -0.4193142 0.6534073 0.1310625 ] [ 0.168452 -0.7461217 -0.2173192 ] [ -0.9183343 -0.7226884 0.1359387 ] [ 0.733653 0.0449794 0.7277847 ] [ -0.9028353 -0.2189438 -0.2349476 ] [ 0.0467528 0.184462 -0.4450423 ] [ 0.33969 0.4276115 -0.0157108 ] [ 0.0686816 -0.8480272 -0.039146 ] [ -0.0414701 -0.5414079 -0.4970107 ] [ 0.7382719 0.4012126 0.5905273 ] [ 1.171613 1.5742104 -0.7721135 ] [ 0.023647 0.516982 -0.6586038 ] [ -0.820571 -0.1713764 1.0029329 ] [ -0.5002234 1.3630677 0.0255889 ] [ 1.3302664 -0.2154036 -1.1163522 ] [ 0.3433938 -0.7279902 -1.0155658 ] [ -0.6252904 0.0426801 0.7984149 ] [ 1.0538964 -0.378225 -0.6561334 ] [ -0.597087 0.1020696 0.1780303 ] [ -0.4433956 -0.458091 -0.3166875 ] [ -0.252278 -1.3876342 1.0208249 ] [ -0.5149728 0.412603 0.6949843 ] [ -1.5699091 0.8499503 0.3262737 ] [ -1.4177678 1.1189516 0.8871548 ] [ 1.0889783 -0.4493328 1.0951828 ] [ -0.5577919 -1.0199201 -0.1778967 ] [ -1.1563625 -0.1030581 -0.0627383 ] [ -0.5885402 -1.1999274 0.3734355 ] [ -0.0160497 0.202272 -1.2734018 ] [ 0.218341 0.5513159 -0.2155199 ] [ 0.3289782 1.5069591 -0.3037236 ] [ 0.0720436 -0.6602411 -1.1065869 ] [ -0.5814132 -0.1428521 0.7040004 ] [ 0.3537592 -0.6890704 0.105929 ] [ 0.190746 -0.6465872 0.4599068 ] [ -0.2555468 -0.906077 -1.0931736 ] [ 0.9054922 -0.0484033 -0.0873844 ] [ -0.4171106 1.7427037 0.1572688 ] [ -0.1424137 1.2955723 0.0278083 ] [ -0.0843718 -1.0166095 0.5926201 ] [ -0.7230399 -0.2464699 -0.0024572 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.9650699055090817e-10 -7.74996864130272e-11 5.065254149656646e-10 ] [ 5.451941079263348e-10 -1.7788662607184448e-10 -1.6488089326543566e-09 ] [ 1.4975016156332738e-10 1.851152624625051e-09 8.346702528072921e-10 ] [ 1.20219322741728e-10 -4.042522327711795e-10 4.3839862200197955e-10 ] [ -6.350193390831763e-10 -2.0853241960385858e-10 -9.92866608862491e-10 ] [ 1.7516710749746479e-09 -5.266367369982567e-10 -5.975843221205223e-10 ] [ -3.2817175440885695e-10 1.2913460250463718e-09 -1.3197223353950228e-09 ] [ -4.475025099966893e-10 -5.518884825010234e-10 -5.468020523829697e-10 ] [ 4.793278259569364e-10 1.1713617416149153e-09 2.084103337453536e-10 ] [ 1.5618860444460941e-09 -2.469963543923904e-10 -1.2879811337073677e-09 ] [ 1.3362768253294386e-09 -1.840636097503782e-09 2.425496894207883e-09 ] [ 7.323853747234752e-11 -1.3430774242140864e-10 1.500686742755424e-09 ] [ 9.492286048947476e-10 6.025908036251981e-10 -7.682227011598676e-10 ] [ 1.642062166904168e-09 -1.2840594859926354e-09 1.515036157006633e-09 ] [ -5.846576407085837e-10 1.2674444337819533e-09 9.617638745582247e-10 ] [ 2.998915746574541e-10 8.377648569503673e-10 8.95272263053728e-11 ] [ 4.0417420676974654e-10 -1.5182203228228108e-09 -8.649382530921217e-10 ] [ -2.2394583934894078e-09 1.3204819273309442e-10 1.144677169560167e-09 ] [ 2.350617087005188e-09 5.972348873995258e-10 6.802047252312883e-10 ] [ 8.865115612911936e-11 -1.1437890830592577e-09 -5.690955389730913e-10 ] [ -5.058600310150464e-10 3.0097256322350783e-10 6.475020573534913e-11 ] [ 5.243412985536365e-10 4.713427378965312e-11 -5.320615468186233e-10 ] [ -1.3875025775556287e-10 9.023755131020448e-10 -8.065190482738637e-10 ] [ -6.718154080094554e-10 1.0468738999200519e-09 2.099852733636e-10 ] [ 2.698898561270016e-10 -1.1954187440115513e-09 -3.4818374149095934e-10 ] [ -1.4713337455387336e-09 -1.1578744586033588e-09 2.1779780700194495e-10 ] [ 1.1754416843797824e-09 7.206494309761152e-11 1.1660396313159416e-09 ] [ -1.4465016100929543e-09 -3.5078663762911105e-10 -3.764275518330701e-10 ] [ 7.490624311693824e-11 2.955407038260096e-10 -7.130363683270599e-10 ] [ 5.44243376319552e-10 6.851091480852192e-10 -2.5171476454064642e-11 ] [ 1.1004005379913728e-10 -1.3586893536424857e-09 -6.27188059978368e-11 ] [ -6.644242468223809e-11 -8.674310796964244e-10 -7.962989238274426e-10 ] [ 1.1828419779735956e-09 6.428134476903821e-10 9.461290340041478e-10 ] [ 1.8771309572253507e-09 2.522163099100216e-09 -1.237062198304061e-09 ] [ 3.78866705520576e-11 8.282964737744257e-10 -1.055199610730039e-09 ] [ -1.314699671906477e-09 -2.7457526143686915e-10 1.6068756446111443e-09 ] [ -8.014462366570867e-10 2.1838752015076283e-09 4.0997937331989125e-11 ] [ 2.131321725515781e-09 -3.451146119561549e-10 -1.7885933954186457e-09 ] [ 5.501775180876711e-10 -1.1663688786115163e-09 -1.6271157816440488e-09 ] [ -1.0018256600906804e-09 6.838105839340608e-11 1.2792016864783701e-09 ] [ 1.688528172825285e-09 -6.0598325240208e-10 -1.0512415936060147e-09 ] [ -9.566388319836096e-10 1.6353352681440769e-10 2.852359844540103e-10 ] [ -7.103980640855886e-10 -7.339426903988929e-10 -5.073893085996e-10 ] [ -4.041939135421824e-10 -2.2232350734625115e-09 1.635541788710498e-09 ] [ -8.250773805079142e-10 6.610628802719424e-10 1.1134875972830534e-09 ] [ -2.5152716568011694e-09 1.3617704995019464e-09 5.22748094121913e-10 ] [ -2.2715144228830503e-09 1.7927580933267532e-09 1.4213786795905e-09 ] [ 1.7447355728185286e-09 -7.199105071186022e-10 1.754676277662282e-09 ] [ -8.936811414516116e-10 -1.6340921393039981e-09 -2.8502193365747134e-10 ] [ -1.85269696266984e-09 -1.651172784040685e-10 -1.0051783748873664e-10 ] [ -9.42945348840956e-10 -1.92249562693733e-09 5.983096274767584e-10 ] [ -2.571445411085376e-11 3.2407546944245764e-10 -2.0402145928446376e-09 ] [ 3.4982084556209283e-10 8.833054456553107e-10 -3.453009450971539e-10 ] [ 5.270811807928666e-10 2.4144146385218094e-09 -4.866188511052109e-10 ] [ 1.1542657159826688e-10 -1.057822854511275e-09 -1.7729476600635474e-09 ] [ -9.315266360645144e-10 -2.2887429485218371e-10 1.1279329819138483e-09 ] [ 5.667847196329113e-10 -1.1040124849653043e-09 1.697169672647232e-10 ] [ 3.056087817111168e-10 -1.0359468951485338e-09 7.368519227069415e-10 ] [ -4.0943110848025346e-10 -1.4516953860446016e-09 -1.751457184395771e-09 ] [ 1.4507584331567577e-09 -7.755063562956864e-11 -1.4000524270263551e-10 ] [ -6.682848516078605e-10 2.7921191251216574e-09 2.5197239454127105e-10 ] [ -2.2817190062162497e-10 2.075735649616084e-09 4.4553808124192644e-11 ] [ -1.3517852541481344e-10 -1.6287879733831776e-09 9.49482069236158e-10 ] [ -1.15843762368557e-09 -3.9488831151091393e-10 -3.93686839262976e-12 ] ] } "unrelaxed-potential-energy" { "source-value" 264.62053 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.23968826549705e-17 } }