{ "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" [ 10.7433999 0 0 ] "si-unit" "m" "si-value" [ 1.07433999e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7433999 0 ] "si-unit" "m" "si-value" [ 0.0 1.07433999e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7433999 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07433999e-09 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4965521 -0.3195773 1.1958497 ] [ -1.5199999 -0.208994 0.5931797 ] [ 0.3592119 1.301774 -1.3570464 ] [ -0.3217153 -0.5277262 0.1538379 ] [ 0.1005783 0.3663787 0.4696695 ] [ -0.8038281 -0.3717206 -0.8060456 ] [ 0.0778679 0.0242082 -1.0613113 ] [ 0.1831708 0.6222995 -0.2237269 ] [ -0.3468087 0.0452745 0.1053673 ] [ 0.0213537 -1.2369404 -1.8382993 ] [ -0.8957361 0.166782 0.1930785 ] [ 2.0231635 0.2506082 0.5100881 ] [ -0.0536709 0.1866618 -0.4972749 ] [ -0.8465317 1.6140506 -0.2673159 ] [ -0.4766787 -0.3708741 0.6972225 ] [ 0.7003428 -0.316448 -0.5823569 ] [ -0.8798524 -0.7664921 -0.5172704 ] [ 0.2236916 -0.2193089 1.4661275 ] [ 0.3230492 -0.1392378 0.2269453 ] [ 0.3588445 0.0537973 0.0048822 ] [ -0.5815333 -0.2872592 0.1203583 ] [ 0.9449606 0.0488728 -0.8636952 ] [ -0.052506 1.0364474 0.0065362 ] [ 0.8957217 -2.1129461 -0.9569226 ] [ -1.8274689 -1.0472238 0.7980955 ] [ -0.3936258 0.6692019 0.2287501 ] [ -1.0464615 3.0568379 -0.5444992 ] [ -1.0551941 -0.9040572 -0.5962902 ] [ 1.664357 1.3471255 0.0291661 ] [ -0.0610554 -0.8386996 -0.1786345 ] [ -0.0840377 0.6045212 0.4050197 ] [ 1.1173107 -0.3892546 -0.6415908 ] [ -0.7003606 0.9291131 0.851668 ] [ 1.1621816 0.2651021 0.2810465 ] [ 1.0594295 -1.2619118 0.6205492 ] [ -0.6919838 0.1900508 -0.2248776 ] [ 0.911011 0.3979026 -1.1176077 ] [ 0.6734695 -1.073933 0.1375748 ] [ 0.3205149 2.0317123 0.6453162 ] [ -0.4966108 -1.6461642 -0.0679138 ] [ -1.1746355 -1.1938625 -0.0073743 ] [ -0.1087374 -0.6615455 1.6300291 ] [ 1.4037481 -0.850605 0.8103293 ] [ 0.9541675 1.1565598 -1.5924929 ] [ 0.1994421 1.2779387 1.9942064 ] [ -0.5683937 0.6457161 0.4285156 ] [ -1.3026601 -0.2906738 -0.9594632 ] [ 0.5875273 -0.7357083 -0.2628471 ] [ -0.7824631 -0.6601017 0.2140283 ] [ -1.9930561 1.0555133 0.1122865 ] [ 0.8165027 -1.6743966 0.4632684 ] [ 0.158469 -3.2612619 -1.5182155 ] [ -0.2516207 -0.5344652 -0.0487602 ] [ 0.0607071 0.5920686 -0.2414493 ] [ 0.0466526 -1.3444756 0.3450666 ] [ -0.3939577 0.6336068 0.4809103 ] [ 0.0877674 -0.4348683 -0.1810865 ] [ 1.6746876 1.2476523 0.8790575 ] [ 1.1071963 1.9833948 -0.4053758 ] [ -0.9801963 -1.1893905 1.0512711 ] [ 0.6092982 -0.3890622 -3.1853147 ] [ -0.748515 3.1825431 1.6630545 ] [ -0.1019307 1.2644431 0.6451007 ] [ 0.2188768 -0.9889726 0.2876055 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.955641656291437e-10 -5.120192785983879e-10 1.9159624313306937e-09 ] [ -2.4353083033983378e-09 -3.348453006874752e-10 9.503786472731577e-10 ] [ 5.755209080931475e-10 2.0856718683652994e-09 -2.174228015420805e-09 ] [ -5.154447322136583e-10 -8.45510579823625e-10 2.4647548677296834e-10 ] [ 1.6114420081980864e-10 5.87003387499097e-10 7.524934924028257e-10 ] [ -1.2878745889620846e-09 -5.955620547897485e-10 -1.2914274156187085e-09 ] [ 1.2475812889079232e-10 3.878581207165056e-11 -1.7004081522508552e-09 ] [ 2.934719733732326e-10 9.970337100355297e-10 -3.5845000862405953e-10 ] [ -5.55648791030041e-10 7.25377454184096e-11 1.6881702465681985e-10 ] [ 3.4212398907576964e-11 -1.9817969902030004e-09 -2.9452801604930057e-09 ] [ -1.435127437826571e-09 2.6721422117026564e-10 3.093458586791328e-10 ] [ 3.2414652597559006e-09 4.0151859902077056e-10 8.172512283682926e-10 ] [ -8.599026119729472e-11 2.9906517195644544e-10 -7.96722218890658e-10 ] [ -1.3562932985060794e-09 2.5859941361082123e-09 -4.282872853481107e-10 ] [ -7.63723468773337e-10 -5.942058122802412e-10 1.1170735889957279e-09 ] [ 1.1220728607056105e-09 -5.070055872989184e-10 -9.330386101415634e-10 ] [ -1.40967894503477e-09 -1.2280557226478957e-09 -8.287585415118644e-10 ] [ 3.5839345178934527e-10 -3.5137159231336516e-10 2.348995203611952e-09 ] [ 5.175818756081434e-10 -2.2308354789162623e-10 3.6360645386044226e-10 ] [ 5.749322684026656e-10 8.619277632216384e-11 7.82214669806976e-12 ] [ -9.317190574766726e-10 -4.602399743497114e-10 1.9283525437923265e-10 ] [ 1.5139937808971406e-09 7.830285755303425e-11 -1.3837922569371801e-09 ] [ -8.41238856517248e-11 1.660571792968946e-09 1.047214682887296e-11 ] [ 1.4351043664832312e-09 -3.3853128424305387e-09 -1.53315901763515e-09 ] [ -2.927927946819093e-09 -1.6778374891053352e-09 1.2786899512656865e-09 ] [ -6.306580541036968e-10 1.0721796387749397e-09 3.664980622256621e-10 ] [ -1.676616149867299e-09 4.897594216955369e-09 -8.723838882843033e-10 ] [ -1.6906073174260973e-09 -1.4484593097059098e-09 -9.553622176521563e-10 ] [ 2.666593874064826e-09 2.1583329813835104e-09 4.672924353991488e-11 ] [ -9.782153445359233e-11 -1.3437448909943117e-09 -2.862040195682976e-10 ] [ -1.3464323820580417e-10 9.68549733417961e-10 6.489130943034298e-10 ] [ 1.7901290817096826e-09 -6.236546196588557e-10 -1.0279417798803687e-09 ] [ -1.1221013794494605e-09 1.4886032868990126e-09 1.3645225582834943e-09 ] [ 1.8620201886439374e-09 4.247403867449837e-10 4.502861316576672e-10 ] [ 1.6973931762858337e-09 -2.0218055834716454e-09 9.942294202961434e-10 ] [ -1.1086802663323431e-09 3.0449494852433665e-10 -3.602936332616141e-10 ] [ 1.459600525491629e-09 6.375102430755341e-10 -1.7906049281660602e-09 ] [ 1.0790170877218657e-09 -1.7206303449056066e-09 2.2041912817123584e-10 ] [ 5.135214793980499e-10 3.255161947251796e-09 1.033910528663497e-09 ] [ -7.956582133967847e-10 -2.6374457952379354e-09 -1.0880990258968703e-10 ] [ -1.8819735360617186e-09 -1.9127785859498402e-09 -1.1814931054765441e-11 ] [ -1.7421652008657792e-10 -1.0599127336954464e-09 2.6115945152436655e-09 ] [ 2.2490523873124206e-09 -1.3628194445355842e-09 1.2982906596092295e-09 ] [ 1.5287448608271839e-09 1.8530130721171237e-09 -2.5514548931699927e-09 ] [ 3.195414698232557e-10 2.047483507955545e-09 3.1950708711297333e-09 ] [ -9.10667097550009e-10 1.034551239094155e-09 6.865576759680845e-10 ] [ -2.08709155706899e-09 -4.65710766639095e-10 -1.5372295075579546e-09 ] [ 9.41322504141748e-10 -1.1787346379885126e-09 -4.211274784650797e-10 ] [ -1.2536440854586925e-09 -1.0575995110903353e-09 3.4291113844956866e-10 ] [ -3.193227887362827e-09 1.691118732203457e-09 1.799028051314592e-10 ] [ 1.3081815367600762e-09 -2.6826790864670094e-09 7.422377996354228e-10 ] [ 2.538953269215552e-10 -5.225117570485788e-09 -2.4324493794361825e-09 ] [ -4.0314080284933055e-10 -8.563076480711962e-10 -7.812245246553216e-11 ] [ 9.726349633656768e-11 9.485984688297868e-10 -3.868444235685255e-10 ] [ 7.474570501953409e-11 -2.1540873735560524e-09 5.528576391389453e-10 ] [ -6.311898165241402e-10 1.0151500017399016e-09 7.705032393619143e-10 ] [ 1.406188763484019e-10 -6.967358233870406e-10 -2.901325566424992e-10 ] [ 2.683145319863662e-09 1.998959345947348e-09 1.4084053748388961e-09 ] [ 1.773924026496263e-09 3.1777487783762917e-09 -6.494836293980967e-10 ] [ -1.5704475956546632e-09 -1.9056136521016227e-09 1.6843219785426988e-09 ] [ 9.762033311355227e-10 -6.233463608770138e-10 -5.103436742230566e-09 ] [ -1.199253233318112e-09 5.098996149508357e-09 2.6645070390162337e-09 ] [ -1.6331098448177855e-10 2.0258611731518765e-09 1.0335652596017146e-09 ] [ 3.506792917955175e-10 -1.5845087783317902e-09 4.6079480811349446e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -236.38015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.787227499511971e-17 } }