{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05567e-09 0.0 0.0 ] "source-value" [ 10.5567 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.20932e-10 9.18827e-10 0.0 ] "source-value" [ -5.20932 9.18827 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.8786e-11 6.66744e-12 1.02608e-09 ] "source-value" [ -0.18786 0.0666744 10.2608 ] } "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" [ [ 9.47061164340363e-09 2.8547780097138765e-09 2.134499642843138e-09 ] [ -1.2910982644537313e-08 5.026810882946525e-09 2.816317279278586e-10 ] [ 9.284748100372148e-10 1.8366888149631172e-09 -2.104691947901464e-09 ] [ 3.0230917906941026e-09 6.360705271640835e-10 2.1788382786471574e-09 ] [ 9.263453090252107e-09 -5.138877690170974e-09 -2.8223954246813824e-08 ] [ 4.6583932529114804e-09 -4.1806272287245e-09 3.1015970031543436e-08 ] [ -8.505616499036576e-09 -5.845420116218607e-09 -5.086153261933686e-09 ] [ -4.907074456238304e-10 -3.798509706840322e-09 1.121153211325271e-09 ] [ -2.8829410703542984e-09 6.852148917421921e-09 -1.3396102659413767e-08 ] [ 6.875713731160647e-10 9.672486057842094e-10 1.213524237045499e-08 ] [ -3.159321984842809e-09 -2.0702725477744806e-09 -4.3732405816417515e-09 ] [ 8.597499085192188e-09 7.161787173334351e-10 5.126469473113525e-09 ] [ 1.8268083519603055e-09 2.345082848521621e-09 -1.0676078277874868e-08 ] [ -2.171381908871616e-10 -3.2969867679377805e-09 5.2264914369381236e-09 ] [ 1.2864177297607912e-09 -3.0997642733178114e-09 3.2460638270929215e-09 ] [ 7.3300581761988e-09 7.082805473547083e-09 7.182149236008097e-10 ] [ 9.826885415523658e-09 -2.353294644573869e-10 -2.5328483354196557e-09 ] [ 9.657360068582783e-09 5.173141518948078e-10 -1.4951076112829418e-08 ] [ -1.5529630421918726e-09 2.8071750992626395e-09 1.4180192196302402e-08 ] [ -6.025870064666067e-09 -1.3336351084517653e-08 8.072771982508264e-10 ] [ -4.4654520946576134e-09 2.038494656242209e-09 1.0555072126194665e-08 ] [ -7.99767219645553e-09 3.795725924961681e-09 -1.0849025233207123e-09 ] [ 1.2146677745868288e-10 5.142933279851205e-09 -1.9184807325432672e-09 ] [ -1.1771472975232213e-08 1.4729123701632082e-09 -7.69760197910486e-09 ] [ 1.0729514873620099e-08 -5.032684142003053e-09 -6.553184362157261e-10 ] [ -1.2003138742410816e-09 -6.276342501454948e-09 6.786529370652124e-09 ] [ 8.970620545568237e-10 4.0469887154776e-09 -2.012536879567954e-08 ] [ -2.1152698383873105e-09 1.0737900826271031e-08 1.6222459497833608e-08 ] [ 2.106287395380457e-09 1.16703512773751e-08 -1.294790560585196e-08 ] [ 2.4727019842041753e-09 -4.538460078914228e-10 4.860496297953731e-09 ] [ 3.2211014346878707e-09 -5.3916305049442364e-09 3.54102294080558e-09 ] [ 2.498230265391692e-09 -5.649557068461387e-09 4.20064674603672e-09 ] [ -7.741547280548471e-09 -3.427184126238527e-09 1.1217042799739952e-08 ] [ 2.874478533660895e-09 -8.053960987021112e-09 -2.300321558525034e-09 ] [ 8.327660819152376e-09 -4.502587023939192e-09 -4.300844468636621e-09 ] [ -2.555854309953047e-09 -4.2368266178346405e-09 -7.761034875222586e-10 ] [ 2.2573729711572214e-09 2.0257860310683614e-09 -1.0756714064805448e-08 ] [ -1.520962287891648e-09 4.54779980730752e-09 -1.1488340168028325e-09 ] [ 1.1204588279778164e-09 -1.461138294612273e-09 7.55994969298753e-09 ] [ 1.6120086019382664e-08 1.3153706955188006e-08 3.989144211413223e-09 ] [ -1.9954774957150256e-09 -5.991241740707732e-10 5.4154471808477516e-09 ] [ -5.1963234124744324e-09 -2.4520441597262293e-09 -3.390312354466914e-08 ] [ -5.058296697680823e-09 -3.0096801304190487e-09 2.8330133375392157e-08 ] [ 6.394983039354538e-09 -8.045625182498416e-09 2.7221845962767234e-10 ] [ -1.1832593930486126e-08 7.89441079172134e-09 3.7781379670197843e-08 ] [ 1.2606374261908223e-09 4.069169248615955e-09 -5.681613738725676e-09 ] [ -2.969272915607148e-09 7.217948590858576e-09 1.148991190329333e-09 ] [ -1.2704986630741843e-08 -5.003145933168998e-09 -4.0429290242252195e-08 ] [ -5.401362125738974e-09 1.2247632496921521e-09 9.23742396865293e-09 ] [ 1.8475807320666395e-09 5.457438467684638e-09 -1.144426749354336e-08 ] [ -5.700680601819169e-09 6.57840758891618e-09 7.4443960687832336e-09 ] [ -8.250254860071666e-09 2.7491928080088737e-09 -1.1383550767450875e-08 ] [ -7.696988665894416e-09 -5.3414782110539825e-09 -1.145363718263946e-08 ] [ 2.0187729835637953e-10 4.1606051479296876e-09 1.6355292917328556e-08 ] [ 4.131710533444207e-09 -7.4244052304325274e-09 -2.1476821918614184e-09 ] [ 6.021493879444015e-09 -4.045672206948289e-11 -2.587544722641823e-09 ] [ -5.950597563973615e-09 -2.7836580303872128e-09 1.8730609159119998e-08 ] [ 4.6053040090576375e-09 -9.6117685306613e-09 -5.6378863333024916e-09 ] [ 7.653897164372028e-09 2.5363888253163004e-09 2.020324531403378e-09 ] [ -7.657473062371991e-09 -2.106286594292147e-09 -1.3400139183192208e-08 ] [ 1.0168648113771437e-08 -5.0547648595379325e-09 7.345101172709154e-09 ] [ -3.0993507515319822e-09 6.144489774269591e-09 -1.7527718023566696e-08 ] [ 2.67891941880864e-11 7.410901605219439e-10 2.375451433454704e-08 ] [ -2.98822346067797e-09 -2.0884726333161198e-09 -4.287245674132257e-09 ] ] "source-value" [ [ 5.9110909 1.7818123000000003 1.3322499 ] [ -8.0584016 3.137488600000001 0.1757807 ] [ 0.5795084 1.1463710000000003 -1.3136454 ] [ 1.8868655 0.39700400000000013 1.3599239 ] [ 5.7817927 -3.207435200000001 -17.6160068 ] [ 2.9075404 -2.6093423000000002 19.358646 ] [ -5.3087883 -3.6484243000000007 -3.1745272 ] [ -0.3062755 -2.3708433000000007 0.6997688 ] [ -1.7993903 4.276775000000001 -8.3611897 ] [ 0.4291483 0.6037091000000001 7.5742226 ] [ -1.9718937 -1.2921625000000003 -2.7295621 ] [ 5.3661369 0.4470036000000001 3.1996906 ] [ 1.1402041 1.4636856000000003 -6.663484 ] [ -0.135527 -2.0578173000000004 3.2621194 ] [ 0.8029188 -1.9347207000000004 2.0260337 ] [ 4.5750625 4.420739500000001 0.4482745 ] [ 6.1334595 -0.14688110000000001 -1.5808796 ] [ 6.0276501 0.32288210000000006 -9.3317278 ] [ -0.9692833 1.7521009000000005 8.8505799 ] [ -3.7610523 -8.323895700000001 0.5038628 ] [ -2.787116 1.2723283000000003 6.5879579 ] [ -4.9917544 2.3691058000000003 -0.6771429 ] [ 0.0758136 3.209966500000001 -1.1974215 ] [ -7.3471756 0.9193196000000002 -4.8044653 ] [ 6.6968365 -3.141154400000001 -0.4090176 ] [ -0.749177 -3.917384900000001 4.2358185 ] [ 0.5599021 2.5259317000000006 -12.5612673 ] [ -1.3202476 6.702070600000002 10.1252629 ] [ 1.3146412 7.284060400000002 -8.0814471 ] [ 1.5433392 -0.28326840000000003 3.0336832 ] [ 2.0104534 -3.365191100000001 2.2101327 ] [ 1.5592727 -3.526176200000001 2.6218375 ] [ -4.8318938 -2.1390801000000006 7.0011275 ] [ 1.7941084 -5.026887100000001 -1.4357478 ] [ 5.1977171 -2.8102938000000006 -2.684376 ] [ -1.5952388 -2.6444192000000006 -0.4844057 ] [ 1.4089414 1.2643962000000002 -6.7138129 ] [ -0.94931 2.8385134000000005 -0.7170458 ] [ 0.6993354 -0.9119708000000002 4.7185495 ] [ 10.0613664 8.209898200000001 2.489828 ] [ -1.2454791 -0.37394390000000005 3.3800563 ] [ -3.24329 -1.5304456000000004 -21.1606655 ] [ -3.1571405 -1.8784946000000005 17.6822786 ] [ 3.9914345 -5.021684300000001 0.1699054 ] [ -7.3853243 4.927303700000001 23.5812826 ] [ 0.786828 2.5397757000000003 -3.5461844 ] [ -1.8532744 4.5050892000000005 0.7171439 ] [ -7.929829 -3.122718100000001 -25.2339784 ] [ -3.3712651 0.7644371000000002 5.7655466 ] [ 1.1531692 3.406265200000001 -7.14295 ] [ -3.558085 4.105919100000001 4.6464266 ] [ -5.1494041 1.7159112000000005 -7.1050536 ] [ -4.8040825 -3.333888500000001 -7.1487981 ] [ 0.1260019 2.5968455000000006 10.208171 ] [ 2.5788109 -4.633949300000001 -1.3404778 ] [ 3.7583209 -0.025251100000000005 -1.6150184 ] [ -3.7140709 -1.7374227000000004 11.6907268 ] [ 2.8744047 -5.999194100000001 -3.5188919 ] [ 4.7771869 1.5830894000000004 1.2609874 ] [ -4.7794188 -1.3146407000000002 -8.3637091 ] [ 6.346771 -3.154936100000001 4.5844516 ] [ -1.9344626 3.835088900000001 -10.9399412 ] [ 0.0167205 0.46255210000000013 14.8264018 ] [ -1.8651024 -1.3035221000000001 -2.6758883 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.83194e-11 -3.86785e-11 -1.18492e-11 ] [ 2.4686600000000003e-11 -2.1606e-11 2.82281e-10 ] [ -8.36219e-12 1.8241000000000003e-12 5.31007e-10 ] [ -2.9371700000000003e-11 -3.8434400000000004e-11 7.57864e-10 ] [ -1.43069e-10 2.29331e-10 3.09847e-11 ] [ -1.35745e-10 2.2944700000000002e-10 2.1477e-10 ] [ -1.11282e-10 2.30117e-10 5.576050000000001e-10 ] [ -1.0528999999999999e-10 2.2552300000000001e-10 8.14996e-10 ] [ -2.62682e-10 4.2259200000000005e-10 8.45056e-12 ] [ -2.66632e-10 4.5622400000000004e-10 2.2429899999999998e-10 ] [ -2.64219e-10 4.52795e-10 5.15093e-10 ] [ -2.76087e-10 4.78142e-10 7.5503e-10 ] [ -4.004470000000001e-10 6.843060000000001e-10 4.12644e-11 ] [ -3.96448e-10 6.83552e-10 2.60425e-10 ] [ -4.0748300000000005e-10 7.143810000000001e-10 5.128129999999999e-10 ] [ -3.99024e-10 6.90046e-10 7.83447e-10 ] [ 2.35797e-10 9.01357e-12 9.402670000000001e-12 ] [ 2.51848e-10 -2.54897e-11 2.80735e-10 ] [ 2.6412300000000004e-10 -2.62436e-12 4.864289999999999e-10 ] [ 2.73169e-10 2.93697e-12 7.63944e-10 ] [ 1.3869400000000002e-10 2.3256700000000003e-10 -4.01338e-11 ] [ 1.45014e-10 2.0066000000000003e-10 2.29982e-10 ] [ 1.36777e-10 2.17575e-10 5.22748e-10 ] [ 1.5185900000000002e-10 1.95452e-10 7.724890000000001e-10 ] [ -3.7842300000000005e-11 4.6342e-10 2.75746e-11 ] [ 8.75928e-12 4.5683e-10 2.62757e-10 ] [ -1.20729e-11 4.56872e-10 5.4428e-10 ] [ -5.16659e-12 4.27553e-10 7.44726e-10 ] [ -1.39631e-10 6.57015e-10 5.21927e-12 ] [ -1.387e-10 6.84455e-10 2.3058200000000004e-10 ] [ -1.53804e-10 6.92144e-10 4.91508e-10 ] [ -1.19435e-10 7.149210000000001e-10 7.615430000000001e-10 ] [ 5.2052e-10 -1.33658e-11 -3.26167e-11 ] [ 5.25814e-10 2.7484900000000003e-11 2.5427e-10 ] [ 5.06618e-10 -1.5995000000000002e-11 5.22987e-10 ] [ 5.52975e-10 2.45104e-11 7.580350000000001e-10 ] [ 3.89444e-10 2.4624700000000003e-10 4.78395e-11 ] [ 3.97094e-10 2.2827600000000003e-10 2.83332e-10 ] [ 3.9066800000000004e-10 2.1948699999999998e-10 5.2001e-10 ] [ 3.61141e-10 2.0275300000000002e-10 8.008590000000001e-10 ] [ 2.56457e-10 4.62627e-10 1.84413e-11 ] [ 2.7402300000000003e-10 4.60475e-10 3.00429e-10 ] [ 2.8301e-10 4.45212e-10 4.83026e-10 ] [ 2.3195199999999998e-10 4.4762500000000004e-10 7.8889e-10 ] [ 1.4252400000000002e-10 6.85023e-10 -3.53147e-11 ] [ 1.25681e-10 6.75802e-10 2.46119e-10 ] [ 1.33486e-10 6.66836e-10 5.010900000000001e-10 ] [ 1.43576e-10 6.51188e-10 8.1871e-10 ] [ 7.906310000000001e-10 3.93241e-13 2.1709200000000002e-12 ] [ 7.995110000000001e-10 -2.2064500000000002e-11 2.8666800000000004e-10 ] [ 8.02727e-10 -3.7529800000000004e-12 5.19594e-10 ] [ 8.09865e-10 1.04076e-11 8.003119999999999e-10 ] [ 6.838260000000001e-10 2.22125e-10 2.96203e-11 ] [ 6.467660000000001e-10 2.34085e-10 2.33837e-10 ] [ 6.55129e-10 2.30089e-10 5.1773e-10 ] [ 6.59436e-10 2.26185e-10 7.90285e-10 ] [ 5.542810000000001e-10 4.6208e-10 -2.48744e-11 ] [ 5.2397e-10 4.807e-10 2.51143e-10 ] [ 5.16397e-10 4.38995e-10 5.13699e-10 ] [ 5.532560000000001e-10 4.2285199999999996e-10 8.04871e-10 ] [ 3.66559e-10 7.004830000000001e-10 -2.7141e-12 ] [ 3.91947e-10 6.599160000000001e-10 2.9241100000000004e-10 ] [ 3.99698e-10 6.80761e-10 4.87381e-10 ] [ 4.10733e-10 6.47995e-10 7.726950000000001e-10 ] ] "source-value" [ [ -0.283194 -0.386785 -0.118492 ] [ 0.246866 -0.21606 2.82281 ] [ -0.0836219 0.018241 5.31007 ] [ -0.293717 -0.384344 7.57864 ] [ -1.43069 2.29331 0.309847 ] [ -1.35745 2.29447 2.1477 ] [ -1.11282 2.30117 5.57605 ] [ -1.0529 2.25523 8.14996 ] [ -2.62682 4.22592 0.0845056 ] [ -2.66632 4.56224 2.24299 ] [ -2.64219 4.52795 5.15093 ] [ -2.76087 4.78142 7.5503 ] [ -4.00447 6.84306 0.412644 ] [ -3.96448 6.83552 2.60425 ] [ -4.07483 7.14381 5.12813 ] [ -3.99024 6.90046 7.83447 ] [ 2.35797 0.0901357 0.0940267 ] [ 2.51848 -0.254897 2.80735 ] [ 2.64123 -0.0262436 4.86429 ] [ 2.73169 0.0293697 7.63944 ] [ 1.38694 2.32567 -0.401338 ] [ 1.45014 2.0066 2.29982 ] [ 1.36777 2.17575 5.22748 ] [ 1.51859 1.95452 7.72489 ] [ -0.378423 4.6342 0.275746 ] [ 0.0875928 4.5683 2.62757 ] [ -0.120729 4.56872 5.4428 ] [ -0.0516659 4.27553 7.44726 ] [ -1.39631 6.57015 0.0521927 ] [ -1.387 6.84455 2.30582 ] [ -1.53804 6.92144 4.91508 ] [ -1.19435 7.14921 7.61543 ] [ 5.2052 -0.133658 -0.326167 ] [ 5.25814 0.274849 2.5427 ] [ 5.06618 -0.15995 5.22987 ] [ 5.52975 0.245104 7.58035 ] [ 3.89444 2.46247 0.478395 ] [ 3.97094 2.28276 2.83332 ] [ 3.90668 2.19487 5.2001 ] [ 3.61141 2.02753 8.00859 ] [ 2.56457 4.62627 0.184413 ] [ 2.74023 4.60475 3.00429 ] [ 2.8301 4.45212 4.83026 ] [ 2.31952 4.47625 7.8889 ] [ 1.42524 6.85023 -0.353147 ] [ 1.25681 6.75802 2.46119 ] [ 1.33486 6.66836 5.0109 ] [ 1.43576 6.51188 8.1871 ] [ 7.90631 0.00393241 0.0217092 ] [ 7.99511 -0.220645 2.86668 ] [ 8.02727 -0.0375298 5.19594 ] [ 8.09865 0.104076 8.00312 ] [ 6.83826 2.22125 0.296203 ] [ 6.46766 2.34085 2.33837 ] [ 6.55129 2.30089 5.1773 ] [ 6.59436 2.26185 7.90285 ] [ 5.54281 4.6208 -0.248744 ] [ 5.2397 4.807 2.51143 ] [ 5.16397 4.38995 5.13699 ] [ 5.53256 4.22852 8.04871 ] [ 3.66559 7.00483 -0.027141 ] [ 3.91947 6.59916 2.92411 ] [ 3.99698 6.80761 4.87381 ] [ 4.10733 6.47995 7.72695 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.178125129664518e-17 "source-value" -198.36297 } }