{ "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" [ 10.7042234 0 0 ] "si-unit" "m" "si-value" [ 1.07042234e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7042234 0 ] "si-unit" "m" "si-value" [ 0.0 1.07042234e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7042234 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07042234e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4010384 2.8009794 1.0593894 ] [ 1.5148004 5.0003374 1.0481604 ] [ 4.3778824 3.8594174 0.3278711 ] [ 1.7279894 2.4894494 4.4628424 ] [ 0.1297629 1.6301264 2.9731554 ] [ 3.5636974 2.1610804 2.9739464 ] [ 1.3083454 4.7201294 4.1867494 ] [ 5.1383084 4.7437024 3.9177664 ] [ 5.2483464 0.8931471000000001 5.3642204 ] [ 4.8443924 0.3202786 7.6559124 ] [ 0.8672969 3.8142994 7.3161584 ] [ 2.8975314 2.7494954 6.4804894 ] [ 3.3877964 4.8856814 5.6775394 ] [ 5.2543794 3.2776804 5.7834184 ] [ 4.2548854 5.2436594 8.0248644 ] [ 0.3230521 1.6845124 8.1994764 ] [ 4.2635974 0.2325818 9.9843334 ] [ 3.1233014 2.2667054 9.6237154 ] [ 0.6931568 4.5058604 9.6113704 ] [ 5.1462764 3.2161264 8.9478264 ] [ 0.5883898000000001 7.1378594 0.7067927 ] [ 4.6948864 7.7204584 1.4185134 ] [ 2.4492514 8.6382574 1.1453194 ] [ 5.1758904 9.803473400000001 2.3304484 ] [ 2.9254964 10.6511934 2.4212914 ] [ 0.8270548000000001 7.8606024 3.7818684 ] [ 2.9680814 7.1281044 2.9567874 ] [ 1.0465544 10.1867034 3.8462384 ] [ 4.1676094 8.0393784 4.7857004 ] [ 3.2708344 10.2892634 4.8344344 ] [ 0.6308565 7.2406144 6.0183164 ] [ 2.8136554 7.7856854 6.7398864 ] [ 0.3920157 10.4420734 6.9549844 ] [ 2.7132714 10.0432634 7.149649399999999 ] [ 0.4276244 6.7974854 9.1407944 ] [ 2.7807554 6.9099974 8.9100414 ] [ 4.0120494 8.5713504 10.0403334 ] [ 5.5393334 2.3566544 1.6628424 ] [ 6.2066264 0.3633411 0.6463288 ] [ 8.1193594 0.252634 2.0872004 ] [ 8.359641400000001 5.1773214 2.4593584 ] [ 10.4517034 3.9937184 2.3369434 ] [ 9.5660494 3.5591804 0.03503299999999999 ] [ 7.4907034 0.1522587 5.3288214 ] [ 8.608798400000001 1.7230944 3.8951794 ] [ 7.016109399999999 3.3882234 3.1778134 ] [ 9.1175434 2.3570904 7.0728944 ] [ 6.3152754 5.2685554 6.8362834 ] [ 8.3395284 4.4576014 7.7478004 ] [ 10.3109434 5.1497614 5.6956994 ] [ 7.8664654 1.5095364 8.849506400000001 ] [ 9.795050400000001 1.3392214 10.1295534 ] [ 7.3878144 3.6661644 9.7070424 ] [ 8.971327400000002 7.0529824 1.0876804 ] [ 9.913968400000002 10.1317134 0.7813031 ] [ 6.1825404 6.5896414 4.9032334 ] [ 8.5470164 6.3262834 4.4575954 ] [ 7.2007324 9.3420634 3.5400004 ] [ 9.2406324 8.151507400000002 3.1530214 ] [ 7.0950974 10.2901834 7.6391944 ] [ 9.5990564 8.7306904 6.4404134 ] [ 10.2376134 9.0476474 8.8492394 ] [ 8.0754484 8.1689354 8.1464124 ] [ 8.300732400000001 8.864912400000001 10.3945434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4010384e-10 2.8009794e-10 1.0593894e-10 ] [ 1.5148004e-10 5.000337400000001e-10 1.0481604000000001e-10 ] [ 4.3778824e-10 3.8594174e-10 3.278711e-11 ] [ 1.7279894e-10 2.4894494e-10 4.4628424000000005e-10 ] [ 1.2976289999999999e-11 1.6301264e-10 2.9731554e-10 ] [ 3.5636974e-10 2.1610804e-10 2.9739464000000004e-10 ] [ 1.3083454e-10 4.720129400000001e-10 4.1867494000000005e-10 ] [ 5.1383084e-10 4.7437024e-10 3.9177664000000004e-10 ] [ 5.2483464e-10 8.931471000000002e-11 5.3642204e-10 ] [ 4.844392400000001e-10 3.2027860000000004e-11 7.655912400000001e-10 ] [ 8.672969000000001e-11 3.8142994e-10 7.3161584e-10 ] [ 2.8975314000000004e-10 2.7494954e-10 6.4804894e-10 ] [ 3.3877964e-10 4.8856814e-10 5.6775394e-10 ] [ 5.2543794e-10 3.2776804e-10 5.7834184e-10 ] [ 4.2548854e-10 5.2436594e-10 8.0248644e-10 ] [ 3.2305210000000003e-11 1.6845124000000002e-10 8.1994764e-10 ] [ 4.2635974000000005e-10 2.3258180000000002e-11 9.9843334e-10 ] [ 3.1233014e-10 2.2667054000000003e-10 9.6237154e-10 ] [ 6.931568e-11 4.505860400000001e-10 9.6113704e-10 ] [ 5.146276399999999e-10 3.2161264e-10 8.947826400000001e-10 ] [ 5.883898e-11 7.1378594e-10 7.067927000000001e-11 ] [ 4.694886399999999e-10 7.7204584e-10 1.4185134e-10 ] [ 2.4492514e-10 8.638257400000001e-10 1.1453194e-10 ] [ 5.1758904e-10 9.803473400000002e-10 2.3304484e-10 ] [ 2.9254964000000004e-10 1.06511934e-09 2.4212914e-10 ] [ 8.270548e-11 7.860602400000001e-10 3.7818684e-10 ] [ 2.9680814e-10 7.1281044e-10 2.9567874000000003e-10 ] [ 1.0465544000000001e-10 1.01867034e-09 3.8462384e-10 ] [ 4.1676094e-10 8.039378400000001e-10 4.7857004e-10 ] [ 3.2708344e-10 1.02892634e-09 4.834434400000001e-10 ] [ 6.308565000000001e-11 7.240614400000001e-10 6.0183164e-10 ] [ 2.8136554e-10 7.7856854e-10 6.7398864e-10 ] [ 3.9201570000000006e-11 1.04420734e-09 6.9549844e-10 ] [ 2.7132714e-10 1.00432634e-09 7.149649399999999e-10 ] [ 4.276244e-11 6.797485400000001e-10 9.140794400000001e-10 ] [ 2.7807554e-10 6.9099974e-10 8.910041400000001e-10 ] [ 4.0120494000000005e-10 8.5713504e-10 1.00403334e-09 ] [ 5.539333400000001e-10 2.3566544000000003e-10 1.6628424e-10 ] [ 6.206626400000001e-10 3.633411e-11 6.463288000000001e-11 ] [ 8.119359400000001e-10 2.5263400000000003e-11 2.0872004e-10 ] [ 8.359641400000001e-10 5.1773214e-10 2.4593584e-10 ] [ 1.04517034e-09 3.9937184e-10 2.3369434e-10 ] [ 9.5660494e-10 3.5591804e-10 3.503299999999999e-12 ] [ 7.4907034e-10 1.522587e-11 5.3288214e-10 ] [ 8.608798400000001e-10 1.7230944e-10 3.8951794e-10 ] [ 7.016109399999999e-10 3.3882234000000006e-10 3.1778134e-10 ] [ 9.117543400000001e-10 2.3570904e-10 7.0728944e-10 ] [ 6.3152754e-10 5.268555400000001e-10 6.8362834e-10 ] [ 8.339528400000001e-10 4.4576013999999997e-10 7.747800400000001e-10 ] [ 1.03109434e-09 5.1497614e-10 5.6956994e-10 ] [ 7.866465400000001e-10 1.5095364000000001e-10 8.849506400000001e-10 ] [ 9.7950504e-10 1.3392214e-10 1.0129553400000001e-09 ] [ 7.3878144e-10 3.6661644000000004e-10 9.7070424e-10 ] [ 8.971327400000002e-10 7.052982400000001e-10 1.0876804000000001e-10 ] [ 9.913968400000003e-10 1.0131713400000001e-09 7.813031e-11 ] [ 6.1825404e-10 6.5896414e-10 4.9032334e-10 ] [ 8.5470164e-10 6.326283400000001e-10 4.4575954e-10 ] [ 7.2007324e-10 9.3420634e-10 3.5400004e-10 ] [ 9.240632400000001e-10 8.151507400000002e-10 3.1530214e-10 ] [ 7.0950974e-10 1.02901834e-09 7.639194400000001e-10 ] [ 9.5990564e-10 8.7306904e-10 6.4404134e-10 ] [ 1.0237613400000002e-09 9.047647400000001e-10 8.849239400000001e-10 ] [ 8.075448400000001e-10 8.168935400000001e-10 8.146412400000001e-10 ] [ 8.300732400000002e-10 8.864912400000002e-10 1.03945434e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6033012 0.8098876 1.2139492 ] [ -0.0959763 -0.3286649 0.797998 ] [ 1.2201595 1.7837273 1.3485438 ] [ 1.3152227 -0.7328398 -0.3893101 ] [ -1.1603961 -0.3981543 1.0852349 ] [ -0.433913 -0.6716162 -0.0380413 ] [ -0.1078564 0.7148311 -0.1880441 ] [ 0.5475104 0.1985688 -1.1284478 ] [ -0.1955893 1.0302215 0.2992647 ] [ -0.5573908 -0.6032463 0.7466378 ] [ 0.9025643 0.2943074 0.6624758 ] [ -1.014193 -1.3662549 1.162817 ] [ -1.2006267 2.3107015 -0.766504 ] [ 0.7095823 -1.8399264 0.722619 ] [ -0.5897795 0.0963148 -0.5459035 ] [ 0.2990983 -0.5957579 -0.4559086 ] [ 0.8149857 -0.5886921 -1.2765918 ] [ -1.5916301 -2.3774526 -1.2041785 ] [ -0.8203112 0.1640285 -1.5164009 ] [ 1.272785 1.5885752 -1.6102707 ] [ 0.5626724 0.4157021 0.6194171 ] [ 2.1025951 -1.2834804 0.2598797 ] [ -2.5858358 0.760255 -0.2245351 ] [ 0.7983072 -0.7918854 0.0852022 ] [ 0.5616963 -0.2953271 -0.2891505 ] [ -0.420477 0.4612181 -0.0356347 ] [ -0.6974315 -0.8666284 1.3836469 ] [ -0.7560906 0.8012714 -0.2966423 ] [ 0.6795379 -1.0567436 0.2688281 ] [ 1.651659 0.1013465 0.4913786 ] [ 0.035683 -0.1329483 -0.5660294 ] [ -0.6488099 -0.7041218 0.0229718 ] [ 1.7066008 1.2462499 0.9169843 ] [ -0.1388525 0.4027915 -0.6740902 ] [ 0.8143899 0.941003 -0.4997886 ] [ 1.3999028 0.0831191 -1.0247266 ] [ -0.6295468 0.1270485 -1.2231521 ] [ 0.8095242 0.714535 0.97734 ] [ -0.1748138 1.0576493 0.2659851 ] [ 0.5361322 -0.3553012 -0.5356404 ] [ 0.6447886 -0.8003299 -0.3582743 ] [ -0.0686235 -0.1453668 -0.4777859 ] [ 0.2194337 0.0921984 1.114462 ] [ -0.2181989 -0.236949 -0.0485162 ] [ -0.6215111 0.2108868 -0.1817639 ] [ -0.0361628 0.0972126 -0.7765129 ] [ -1.0588037 0.3910533 -1.1745056 ] [ 0.6398049 -0.3210313 0.1035375 ] [ 1.0714906 1.6008942 -2.6094845 ] [ -1.645409 -0.1009614 2.6420182 ] [ -0.5630167 -1.6923691 -0.1602527 ] [ 0.8406099 -0.7695441 0.7531731 ] [ -0.3488981 0.1216436 0.607173 ] [ -0.1738909 0.5329297 0.1101449 ] [ 0.3232157 0.9724942 -1.2212986 ] [ 0.3230909 1.0648068 0.3616513 ] [ -0.502514 -0.033027 0.7267562 ] [ 0.3038294 0.2164809 0.6522557 ] [ -0.3135854 -0.6655384 0.0936273 ] [ 0.1003993 0.4526435 -0.1162451 ] [ -0.052142 -0.6331124 -1.5701898 ] [ 1.2734106 0.0816333 2.246496 ] [ -2.7347974 -0.2221154 -0.6806081 ] [ -0.7203079 -1.3288441 1.1219596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5687717199041606e-09 1.2975829888863385e-09 1.944961043102993e-09 ] [ -1.537709852777742e-10 -5.265792231959466e-10 1.2785337495787319e-09 ] [ 1.954911040653123e-09 2.857846201487908e-09 2.1606053662855693e-09 ] [ 2.107219078446392e-09 -1.1741388040252332e-09 -6.237435456002034e-10 ] [ -1.8591595176047275e-09 -6.379135161866262e-10 1.7387379991813264e-09 ] [ -6.95205269788842e-10 -1.0760477826558708e-09 -6.09488819869842e-11 ] [ -1.7280500390735761e-10 1.1452856856765175e-09 -3.0127986318155937e-10 ] [ 8.772083697519936e-10 3.181422916014192e-10 -1.8079726978487052e-09 ] [ -3.1336860632041617e-10 1.6505968151444307e-09 4.794749097210197e-10 ] [ -8.930385157665671e-10 -9.665071264069543e-10 1.1962456372211652e-09 ] [ 1.4460674321425662e-09 4.715324394932916e-10 1.061403247350457e-09 ] [ -1.6249163269663618e-09 -2.1889816768680064e-09 1.863038227017978e-09 ] [ -1.9236160448965276e-09 3.702151951448751e-09 -1.2280747986675359e-09 ] [ 1.136876180959978e-09 -2.9478870863597377e-09 1.157763277084446e-09 ] [ -9.44930934112203e-10 1.543133220683832e-10 -8.74633832118819e-10 ] [ 4.792083075291221e-10 -9.545093869009085e-10 -7.304461061596524e-10 ] [ 1.3057510455841338e-09 -9.431887272403915e-10 -2.045325553116001e-09 ] [ -2.5500725561910834e-09 -3.809099004162548e-09 -1.9293066558651692e-09 ] [ -1.314283437248501e-09 2.62802630010069e-10 -2.4295420897565705e-09 ] [ 2.03922638710569e-09 2.5451780667918768e-09 -2.579938089954824e-09 ] [ 9.015005718767016e-10 6.660281913247314e-10 9.924156043200415e-10 ] [ 3.368728739982893e-09 -2.0563623070769735e-09 4.1637318299092977e-10 ] [ -4.142965698120697e-09 1.21806279688167e-09 -3.597448907328534e-10 ] [ 1.2790291425939648e-09 -1.2687402846857436e-09 1.365089740053948e-10 ] [ 8.999366872642542e-10 -4.731661790069814e-10 -4.6327017480941696e-10 ] [ -6.73678424534418e-10 7.389528629978755e-10 -5.70930836995998e-11 ] [ -1.117408453115571e-09 -1.3884917728408055e-09 2.216846732886535e-09 ] [ -1.2113906925070404e-09 1.2837783145724675e-09 -4.752733617160183e-10 ] [ 1.0887397452974286e-09 -1.6930899040490422e-09 4.3071010038261543e-10 ] [ 2.646249457135806e-09 1.6237499423768102e-10 7.872753113676324e-10 ] [ 5.7170468831022e-11 -2.130066597900222e-10 -9.068790788370396e-10 ] [ -1.0395080616878766e-09 -1.1281274954500212e-09 3.68048812009212e-11 ] [ 2.734275925325707e-09 1.9967124699048365e-09 1.469170819204846e-09 ] [ -2.22466231072485e-10 6.45343129673811e-10 -1.0800115676483868e-09 ] [ 1.3047964687455966e-09 1.507653019123902e-09 -8.007496168595724e-10 ] [ 2.2428915560311752e-09 1.331714798591094e-10 -1.6417930147582644e-09 ] [ -1.008645172969471e-09 2.03554138084749e-10 -1.9597057144480316e-09 ] [ 1.2970007578975429e-09 1.14481128117519e-09 1.56587131147356e-09 ] [ -2.800825856607492e-10 1.6945409954264563e-09 4.2615511221215335e-10 ] [ 8.589784835750148e-10 -5.692552806721608e-10 -8.581905331064136e-10 ] [ 1.0330652287895724e-09 -1.2822698652715567e-09 -5.740187120227062e-10 ] [ -1.0994696824329901e-10 -2.329032903193512e-10 -7.654974050346605e-10 ] [ 3.515715468521658e-10 1.477181221721856e-10 1.7855649758809082e-09 ] [ -3.495931791445026e-10 -3.79634151249666e-10 -7.77315220104708e-11 ] [ -9.957705621916373e-10 3.3787790337903123e-10 -2.912178734847126e-10 ] [ -5.79391931800152e-11 1.5575175625038838e-10 -1.2441108243795786e-09 ] [ -1.6963905481327456e-09 6.265364599085922e-10 -1.8817654288221506e-09 ] [ 1.0250804610987067e-09 -5.143488476426443e-10 1.65885363242775e-10 ] [ 1.7167172028706403e-09 2.5649152807461226e-09 -4.180855092685174e-09 ] [ -2.636235853173306e-09 -1.6175799601592762e-10 4.232979826642739e-09 ] [ -9.020522012917879e-10 -2.7114742281236094e-09 -2.567531314754118e-10 ] [ 1.3468055400890766e-09 -1.2329455758525593e-09 1.2067163421773455e-09 ] [ -5.589963834669954e-10 1.948945335956424e-10 9.72798393395682e-10 ] [ -2.7860393684523057e-10 8.538475129046297e-10 1.764715851342666e-10 ] [ 5.178486422819538e-10 1.5581074839405228e-09 -1.9567360800569124e-09 ] [ 5.176486906380306e-10 1.706008574684311e-09 5.794292625157242e-10 ] [ -8.05116189057876e-10 -5.2915087691118e-11 1.1643918022546308e-09 ] [ 4.867883654022396e-10 3.468406396872906e-10 1.0450288419333139e-09 ] [ -5.024192006435436e-10 -1.0663100735097457e-09 1.500074723645082e-10 ] [ 1.608574125299562e-10 7.25214839231979e-10 -1.862451830369934e-10 ] [ -8.3540694050028e-11 -1.0143578939756615e-09 -2.515721408505133e-09 ] [ 2.0402287088079206e-09 1.307909658163122e-10 3.5992833995744642e-09 ] [ -4.381628493003952e-09 -3.558681039315636e-10 -1.0904543947311354e-09 ] [ -1.1540604866656086e-09 -2.1290429672487594e-09 1.7975774554119865e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -233.29696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.737829380952326e-17 } }