{ "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" [ 10.7273634 0 0 ] "si-unit" "m" "si-value" [ 1.07273634e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7273634 0 ] "si-unit" "m" "si-value" [ 0.0 1.07273634e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7273634 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07273634e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.21377030452 0.0563125 1.2912944 ] [ 0.8976564746510001 3.4276614 0.9628184 ] [ 2.77184944462 4.8519534 0.8880078 ] [ 3.06442978639 1.0867944 3.4618754 ] [ 4.85618615881 2.5758984 3.1287184 ] [ 1.27636094377 2.7351484 3.2348454 ] [ 0.032681315581 4.0814974 4.7880054 ] [ 3.19259516734 4.2357514 3.0949614 ] [ 1.74549016635 0.501631 7.0866474 ] [ 2.71083373678 2.5436094 6.2571034 ] [ 1.82844083884 4.6881544 6.1646784 ] [ 5.00120999727 2.7830024 6.7832324 ] [ 1.67937095052 2.5162484 8.4980134 ] [ 5.29608974566 2.0928404 9.890123399999998 ] [ 3.09394978387 1.1886634 9.892166399999999 ] [ 2.19610230631 4.8460154 8.4728544 ] [ 4.10627732065 4.1877604 9.777425399999998 ] [ 2.49273626885 7.1689504 0.7237711 ] [ 0.73244835583 7.4255494 2.1496434 ] [ 1.08234378554 9.723728399999999 2.1337024 ] [ 4.24974133584 8.6601764 1.1778904 ] [ 2.26042799741 7.4935164 4.0763194 ] [ 3.50755280462 5.6931804 4.9409694 ] [ 4.06473515015 10.2643734 4.9103844 ] [ 4.35512425166 8.3895594 3.4931584 ] [ 4.51304527492 6.6599684 6.8717674 ] [ 2.08341822783 9.2189044 5.7439464 ] [ 0.112207971214 5.6723194 9.331266399999999 ] [ 1.26875704576 7.7639324 9.573386399999999 ] [ 5.20306083258 7.8442044 9.915327399999999 ] [ 3.38272000618 8.069854399999999 8.440456399999999 ] [ 3.69611531697 10.4059334 8.2278364 ] [ 5.41540082438 1.1462964 1.3210624 ] [ 9.09054030464 1.4714254 1.1371174 ] [ 8.261713410039999 3.6176724 1.7455734 ] [ 9.919850788069999 4.9974894 0.7567007 ] [ 9.957896203299999 1.3933974 3.2790474 ] [ 8.11804548957 1.7933464 4.7329544 ] [ 7.31540690772 5.0229914 3.4637784 ] [ 6.30859955646 3.3387054 4.8486364 ] [ 5.36954795201 0.4386996000000001 6.7246454 ] [ 9.74027952725 2.5346444 6.2391424 ] [ 9.997682502 0.3599027 7.1984124 ] [ 5.52914919646 4.8406564 7.9491614 ] [ 8.1538711563 3.7096894 7.4199644 ] [ 10.6976259251 1.9115034 10.1381034 ] [ 7.14907794402 3.5607304 10.4412534 ] [ 9.34037320928 3.7444664 9.4750114 ] [ 7.38703191253 10.4864334 1.1552294 ] [ 8.28344407597 8.2361054 0.5297284 ] [ 10.5679422858 8.918648399999999 0.3456757 ] [ 6.41012104365 7.2384134 3.7545914 ] [ 9.352619032389999 5.9295864 4.3603854 ] [ 7.91565831886 8.8332904 2.7955764 ] [ 9.931558472039999 9.8311864 3.5268204 ] [ 6.52045266264 7.6029404 6.0913674 ] [ 8.13745620109 5.8666654 6.4194484 ] [ 10.3457696753 6.9372664 6.2938964 ] [ 7.79511297434 8.837734399999999 7.6624984 ] [ 7.72653566934 10.7927734 6.3149904 ] [ 10.4285057725 9.233206399999998 5.7226844 ] [ 6.00220265615 5.5979944 10.1644834 ] [ 9.108498232839999 6.9809244 8.275955399999999 ] [ 6.87664920361 9.475838399999999 9.749998399999999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.21377030452e-10 5.63125e-12 1.2912944e-10 ] [ 8.976564746510001e-11 3.4276614e-10 9.628184e-11 ] [ 2.77184944462e-10 4.851953400000001e-10 8.880078e-11 ] [ 3.06442978639e-10 1.0867944e-10 3.4618753999999997e-10 ] [ 4.85618615881e-10 2.5758984e-10 3.1287184e-10 ] [ 1.2763609437700002e-10 2.7351484e-10 3.2348454e-10 ] [ 3.2681315581000004e-12 4.0814974e-10 4.788005400000001e-10 ] [ 3.19259516734e-10 4.2357514e-10 3.0949614e-10 ] [ 1.7454901663500002e-10 5.0163100000000004e-11 7.0866474e-10 ] [ 2.7108337367800005e-10 2.5436094e-10 6.257103400000001e-10 ] [ 1.82844083884e-10 4.6881544e-10 6.1646784e-10 ] [ 5.00120999727e-10 2.7830024e-10 6.7832324e-10 ] [ 1.67937095052e-10 2.5162484e-10 8.4980134e-10 ] [ 5.29608974566e-10 2.0928404e-10 9.8901234e-10 ] [ 3.09394978387e-10 1.1886634e-10 9.8921664e-10 ] [ 2.19610230631e-10 4.8460154e-10 8.472854399999999e-10 ] [ 4.10627732065e-10 4.1877604e-10 9.7774254e-10 ] [ 2.49273626885e-10 7.1689504e-10 7.237711e-11 ] [ 7.3244835583e-11 7.425549400000001e-10 2.1496434e-10 ] [ 1.08234378554e-10 9.723728399999999e-10 2.1337024000000002e-10 ] [ 4.2497413358399996e-10 8.660176399999999e-10 1.1778904e-10 ] [ 2.26042799741e-10 7.4935164e-10 4.0763194000000003e-10 ] [ 3.50755280462e-10 5.6931804e-10 4.9409694e-10 ] [ 4.06473515015e-10 1.02643734e-09 4.9103844e-10 ] [ 4.355124251660001e-10 8.3895594e-10 3.4931584e-10 ] [ 4.5130452749199996e-10 6.659968400000001e-10 6.871767400000001e-10 ] [ 2.0834182278300002e-10 9.2189044e-10 5.7439464e-10 ] [ 1.12207971214e-11 5.672319400000001e-10 9.3312664e-10 ] [ 1.26875704576e-10 7.7639324e-10 9.573386399999999e-10 ] [ 5.203060832580001e-10 7.8442044e-10 9.9153274e-10 ] [ 3.38272000618e-10 8.069854399999999e-10 8.440456399999999e-10 ] [ 3.69611531697e-10 1.04059334e-09 8.2278364e-10 ] [ 5.41540082438e-10 1.1462964000000001e-10 1.3210624e-10 ] [ 9.09054030464e-10 1.4714254000000001e-10 1.1371174e-10 ] [ 8.261713410039999e-10 3.6176724e-10 1.7455734e-10 ] [ 9.91985078807e-10 4.9974894e-10 7.567007e-11 ] [ 9.957896203299999e-10 1.3933974e-10 3.2790474e-10 ] [ 8.118045489569999e-10 1.7933464e-10 4.7329544e-10 ] [ 7.31540690772e-10 5.022991400000001e-10 3.4637784e-10 ] [ 6.30859955646e-10 3.3387054e-10 4.8486364e-10 ] [ 5.36954795201e-10 4.386996000000001e-11 6.7246454e-10 ] [ 9.740279527249999e-10 2.5346444e-10 6.2391424e-10 ] [ 9.997682502e-10 3.5990270000000004e-11 7.1984124e-10 ] [ 5.52914919646e-10 4.840656400000001e-10 7.949161400000001e-10 ] [ 8.1538711563e-10 3.7096894e-10 7.4199644e-10 ] [ 1.0697625925100002e-09 1.9115034e-10 1.0138103400000001e-09 ] [ 7.149077944020001e-10 3.5607304000000004e-10 1.0441253400000001e-09 ] [ 9.34037320928e-10 3.7444664e-10 9.4750114e-10 ] [ 7.38703191253e-10 1.04864334e-09 1.1552294000000001e-10 ] [ 8.28344407597e-10 8.236105399999999e-10 5.2972840000000004e-11 ] [ 1.05679422858e-09 8.918648399999999e-10 3.4567569999999996e-11 ] [ 6.41012104365e-10 7.2384134e-10 3.7545914e-10 ] [ 9.35261903239e-10 5.9295864e-10 4.3603854000000004e-10 ] [ 7.91565831886e-10 8.8332904e-10 2.7955764e-10 ] [ 9.93155847204e-10 9.8311864e-10 3.5268204e-10 ] [ 6.52045266264e-10 7.6029404e-10 6.091367400000001e-10 ] [ 8.13745620109e-10 5.8666654e-10 6.4194484e-10 ] [ 1.03457696753e-09 6.937266400000001e-10 6.293896400000001e-10 ] [ 7.795112974340001e-10 8.837734399999999e-10 7.6624984e-10 ] [ 7.726535669339999e-10 1.07927734e-09 6.3149904e-10 ] [ 1.04285057725e-09 9.233206399999999e-10 5.7226844e-10 ] [ 6.00220265615e-10 5.597994400000001e-10 1.01644834e-09 ] [ 9.108498232839999e-10 6.9809244e-10 8.275955399999999e-10 ] [ 6.876649203610001e-10 9.475838399999999e-10 9.7499984e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4312254 -0.8499858 -0.8030668 ] [ 0.2546944 0.7197253 1.8999556 ] [ 0.7014819 0.9522198 -0.4568927 ] [ 0.5422704 0.3980561 0.2745406 ] [ -0.3853954 0.8437694 0.4242732 ] [ -1.0675536 0.6843319 -0.3757617 ] [ 0.3725743 -0.8020341 -0.1894911 ] [ 1.5307823 -1.6529353 -1.5538382 ] [ 0.4883056 -1.1077014 -0.1558474 ] [ 2.13729 0.353832 -4.0566395 ] [ 0.340991 2.1447757 -1.6158131 ] [ -1.3557864 -1.0628869 -0.2693859 ] [ -0.1186933 2.2131615 2.6979749 ] [ 0.0573037 -1.8749982 -1.5887763 ] [ -0.1194492 0.4536501 0.2119607 ] [ -1.3021231 0.5861022 0.280181 ] [ -0.823844 -2.2374071 2.2516592 ] [ -0.6486996 -0.6937949 0.0097962 ] [ 0.8618263 -4.3700851 1.7522139 ] [ -0.5973512 1.7042162 2.1087138 ] [ -1.8626968 1.3825724 0.6156725 ] [ 0.6241616 -1.64954 0.2243623 ] [ -2.0737952 0.9283125 0.210539 ] [ 0.0727524 0.2820919 -0.4004034 ] [ 0.1124278 -0.8450091 -0.6761761 ] [ 1.8907745 -0.4680994 0.5976001 ] [ 1.2395254 -2.3730753 1.2826967 ] [ 2.1660933 1.658343 -1.4440638 ] [ -0.3447095 -0.4470688 0.7653696 ] [ -0.5309807 2.0394349 -0.3611589 ] [ 0.1879681 0.769787 -1.1410542 ] [ -0.6639096 -0.1771619 0.6601599 ] [ -0.4027899 -0.1238025 -0.3960491 ] [ -1.7882971 -1.9742096 2.6024071 ] [ -0.880069 -0.435155 -1.5549945 ] [ 1.3829856 2.1165543 5.141225 ] [ -1.0329972 -1.1590961 -0.9911064 ] [ 0.6812781 1.4269399 -0.6790707 ] [ -0.9984938 -0.0526598 1.1571078 ] [ 0.4574422 -0.2213596 -0.40245 ] [ -0.1179072 0.3435761 1.0344469 ] [ -1.0801635 0.7094225 -0.651718 ] [ 1.0266981 -0.6277657 3.5044769 ] [ 1.676165 2.5902147 -3.5481693 ] [ -1.2783483 0.0554408 -0.2068025 ] [ -1.5962772 -0.992218 -1.7459258 ] [ 2.4158277 0.7019746 0.9834364 ] [ -1.007914 -4.1997191 -1.1095806 ] [ -1.0132855 6.2942495 2.0468787 ] [ 3.1864446 -6.2543678 -1.6789986 ] [ -2.0400178 3.0070898 -4.7136787 ] [ -0.9321207 1.45136 0.536291 ] [ 1.5266704 -0.8671955 -4.0102114 ] [ 0.7193472 -0.1881041 1.6184071 ] [ 0.8642474 0.3736337 1.8296485 ] [ -1.5431799 -1.723322 0.4406555 ] [ -4.8162883 -1.2132363 0.6739326 ] [ 6.4693369 2.0061771 0.3183569 ] [ 0.5963044 0.4200059 1.2884385 ] [ -1.5021858 0.4582817 -2.156512 ] [ -0.5500634 0.40925 -0.3820714 ] [ 1.5629312 1.3661924 1.775969 ] [ 0.0492271 -1.59472 1.3067005 ] [ -3.1519684 0.3939693 -3.2103393 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.2930758749751284e-09 -1.3618273767719847e-09 -1.2866548519006693e-09 ] [ 4.0806541312868353e-10 1.1531270490582663e-09 3.0440644428780367e-09 ] [ 1.1238979000943635e-09 1.5256243014228519e-09 -7.320228021541882e-10 ] [ 8.688129570318644e-10 6.377561771868269e-10 4.3986253078040455e-10 ] [ -6.174714996438643e-10 1.3518676060264437e-09 6.797606018720026e-10 ] [ -1.7104094193708752e-09 1.0964205710476436e-09 -6.020366107320633e-10 ] [ 5.969298329709255e-10 -1.2850002841043693e-09 -3.035982102696749e-10 ] [ 2.452583612594452e-09 -2.6482942933550343e-09 -2.4895232365459546e-09 ] [ 7.823518161257165e-10 -1.7747332859074293e-09 -2.496950606924659e-10 ] [ 3.4243160698696323e-09 5.669013580909055e-10 -6.499452965913802e-09 ] [ 5.463278081032128e-10 3.4363094833999545e-09 -2.5888179724023724e-09 ] [ -2.172209272878597e-09 -1.7029325417345878e-09 -4.3160379095316675e-10 ] [ -1.9016763030560065e-10 3.5458756133546594e-09 4.322632308285218e-09 ] [ 9.181064842533696e-11 -3.004078280082083e-09 -2.545500243541127e-09 ] [ -1.9137871561326339e-10 7.268275842435821e-10 3.3959847806840257e-10 ] [ -2.0862311882236204e-09 9.390392422394457e-10 4.4889944779236486e-10 ] [ -1.3199435959863553e-09 -3.5847213468319276e-09 3.607555728249232e-09 ] [ -1.0393313330423119e-09 -1.111581968410274e-09 1.569524261268096e-11 ] [ 1.3807979490505673e-09 -7.00164817812643e-09 2.807356145220789e-09 ] [ -9.57062127046825e-10 2.730455352428617e-09 3.378531950318327e-09 ] [ -2.9843692645989734e-09 2.215125175843346e-09 9.86416085569488e-10 ] [ 1.0000171231211212e-09 -2.6428544230744323e-09 3.5946803164891586e-10 ] [ -3.3225861857672605e-09 1.4873205842964e-09 3.3732066356661123e-10 ] [ 1.1656219438708992e-10 4.5196104709705155e-10 -6.415169663688308e-10 ] [ 1.8012919268797824e-10 -1.3538538243832492e-09 -1.0833535389637229e-09 ] [ 3.0293546991048098e-09 -7.499779148905075e-10 9.57460908807742e-10 ] [ 1.9859386167677685e-09 -3.802085765057946e-09 2.0551066643173116e-09 ] [ 3.4704640437315208e-09 2.656958383867334e-09 -2.313645259303607e-09 ] [ -5.522855018676576e-10 -7.16283179249111e-10 1.2262572793910478e-09 ] [ -8.507248636360186e-10 3.267534916423586e-09 -5.786403459738452e-10 ] [ 3.011580952761965e-10 1.2333347343957696e-09 -1.8281703623056473e-09 ] [ -1.0637004394446798e-09 -2.8384465427650754e-10 1.057692757769666e-09 ] [ -6.453405608743699e-10 -1.98353471096592e-10 -6.345406087088813e-10 ] [ -2.86516780466444e-09 -3.1630324656789198e-09 4.1695158134239285e-09 ] [ -1.4100259764908352e-09 -6.97195167424224e-10 -2.4913758333725857e-09 ] [ 2.2157871952230607e-09 3.39109381611371e-09 8.23715049727248e-09 ] [ -1.6550439631918619e-09 -1.857076672680459e-09 -1.5879275028052533e-09 ] [ 1.0915278440830445e-09 2.28620974706669e-09 -1.0879911994102906e-09 ] [ -1.5997634223737511e-09 -8.437030041600385e-11 1.8538910649053221e-09 ] [ 7.329031982073178e-10 -3.546571759096397e-10 -6.4479598104096e-10 ] [ -1.8890815926398978e-10 5.504695948856429e-10 1.6573666386390358e-09 ] [ -1.7306127063415009e-09 1.136620143769488e-09 -1.0441673429545345e-09 ] [ 1.6449516924397805e-09 -1.0057915278801465e-09 5.614790957313659e-09 ] [ 2.685512375603232e-09 4.149981435192487e-09 -5.684793899100302e-09 ] [ -2.0481397594994247e-09 8.882595359844864e-11 -3.3133413062299204e-10 ] [ -2.5575180101560858e-09 -1.5897084823369345e-09 -2.7972814984115367e-09 ] [ 3.870582660821036e-09 1.1246872925154317e-09 1.5756388081237172e-09 ] [ -1.6148562465770112e-09 -6.728691755947218e-09 -1.7777440962132364e-09 ] [ -1.6234623382956386e-09 1.008449939438209e-08 3.2794611987534973e-09 ] [ 5.105247041594408e-09 -1.002060186704433e-08 -2.6900523032759307e-09 ] [ -3.2684688251758508e-09 4.8178889742061484e-09 -7.552145811102937e-09 ] [ -1.4934219933037306e-09 2.325335060364288e-09 8.592329021454528e-10 ] [ 2.4459956225473845e-09 -1.3894003557629664e-09 -6.4250669495456374e-09 ] [ 1.1525212660779417e-09 -3.013759912966253e-10 2.592974018556728e-09 ] [ 1.3846769788671859e-09 5.98627178883001e-10 2.9314200509817887e-09 ] [ -2.472446757468482e-09 -2.7610662185102977e-09 7.060079399269344e-10 ] [ -7.716544513292577e-09 -1.943818835365895e-09 1.079759055714958e-09 ] [ 1.0365020333258747e-08 3.2142500468043438e-09 5.100639822503635e-10 ] [ 9.553849685601715e-10 6.729236335780627e-10 2.064306042038621e-09 ] [ -2.4067669688577445e-09 7.342482254804794e-10 -3.4551131088746502e-09 ] [ -8.812987194377588e-10 6.556907820624e-10 -6.121458645563251e-10 ] [ 2.504091828558889e-09 2.1888815227946423e-09 2.845416011065555e-09 ] [ 7.887050872978369e-11 -2.555023100722176e-09 2.0935649914876707e-09 ] [ -5.0500100799803825e-09 6.312084017729415e-10 -5.143530571295437e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -242.80206 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.890117840140789e-17 } }