{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.04694e-09 0.0 0.0 ] "source-value" [ 10.4694 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.302320000000001e-10 9.084429999999999e-10 0.0 ] "source-value" [ -5.30232 9.08443 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.267870000000001e-11 3.775150000000001e-12 1.0129e-09 ] "source-value" [ 0.426787 0.0377515 10.129 ] } "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" [ [ -2.034347261841606e-09 4.934366894102985e-09 9.923494262492969e-10 ] [ -7.178089640886315e-09 8.333573651971439e-09 2.702499773660589e-09 ] [ -9.442613767172816e-10 6.92364124259526e-10 -7.964387778246724e-09 ] [ 4.558803876774498e-09 1.006803622851506e-09 4.016691876013596e-09 ] [ -8.656700953289708e-09 -1.550655907857921e-09 8.557308004006435e-09 ] [ 1.0591134077793296e-09 3.528840310216342e-09 -6.116411949425395e-09 ] [ -1.2040581610038927e-10 1.455412435804858e-09 -1.8330952129114938e-08 ] [ 7.483203029586281e-10 2.53153294841398e-09 1.4779601718029342e-08 ] [ 2.061778896811101e-08 -4.9103568354813385e-09 1.752049348874819e-09 ] [ 3.168255241027404e-09 3.921612466846503e-09 1.5873081013236523e-09 ] [ -5.4468525663156885e-09 3.067261396864628e-10 -9.516351382662541e-09 ] [ 2.750876054766686e-09 1.5373493503691908e-09 6.611856390446283e-09 ] [ 2.890763697705355e-09 1.3326842646926193e-09 -2.949350810633472e-11 ] [ 1.2872965236373002e-09 -1.1345914036451664e-08 -1.3509864088850038e-09 ] [ 1.6550002237701144e-09 -1.2288025131926171e-08 1.1075366326604163e-08 ] [ 4.646681662248757e-09 4.63114151033297e-09 -7.240207630651351e-09 ] [ 5.652367766907256e-09 1.36088033017143e-09 1.3909780831685333e-08 ] [ 9.525584085657564e-09 5.323486568690709e-09 -1.9919859362923813e-08 ] [ 1.6269752707544048e-09 -8.97021839923641e-11 1.537874303538996e-08 ] [ -1.9412154585747576e-09 7.680359834964796e-09 -1.4189647922283042e-08 ] [ 1.7195855655311836e-09 -1.2978311553543842e-09 3.5815528342813355e-08 ] [ 2.6649997083271293e-10 -6.078548991087325e-09 -4.830028185808965e-09 ] [ 1.358112089406012e-09 -3.596011725261044e-10 3.116900673800902e-09 ] [ -8.278558752037087e-11 -8.634350429211886e-09 -3.899813091526237e-08 ] [ -1.0356373546253953e-10 3.5992091891431744e-09 1.6640103844325072e-09 ] [ -2.5218650942487486e-09 6.457474816925208e-09 -1.414265704330095e-08 ] [ -1.0715089676414727e-09 4.659582388399439e-09 1.8981010619484577e-08 ] [ -8.402690269651456e-09 4.3319379103164876e-10 -7.065848837280847e-10 ] [ -7.178619801130138e-09 -2.9728214163868964e-09 -2.7382584332249e-09 ] [ -3.5606752392363134e-09 -4.46475082195069e-09 4.790500085308897e-09 ] [ -7.87647041900993e-09 -6.0011057012913506e-09 -2.1103273798604022e-08 ] [ -5.915152610591658e-09 -9.560943643025633e-09 1.821294220793329e-08 ] [ -3.6585379496290606e-09 6.883671902653824e-09 3.917183089360639e-09 ] [ -1.5373663654849037e-08 1.1154581143089756e-09 -5.897443912619617e-10 ] [ -5.988674092455239e-09 6.152987879283976e-09 -3.0832184351371476e-09 ] [ 2.7854329216477352e-09 8.256291861578842e-09 4.995328753218452e-10 ] [ -4.92661460230558e-10 -4.287783524823859e-10 2.372741720201244e-08 ] [ 4.435768728621714e-09 3.523614170296954e-10 -8.057315784647406e-09 ] [ -1.09487895670311e-09 5.6578132448060305e-09 4.879048702134286e-09 ] [ 4.125129272538947e-09 -3.5048054178570727e-09 -1.941525832229739e-08 ] [ 6.278004118828378e-10 -3.699968474648666e-09 -9.482171347722705e-09 ] [ 2.176317734387315e-09 -3.1238185520141923e-09 1.1480593644066762e-08 ] [ -4.873767126903818e-09 -6.021929831702536e-09 2.3758532913947334e-10 ] [ 3.6499397085758755e-09 4.494971077372219e-09 -4.78428187762591e-09 ] [ 1.982418634731871e-09 -8.659155648090436e-09 -6.407006573805333e-09 ] [ 3.8393000020822545e-09 -1.2031196059394268e-08 5.621156885681086e-09 ] [ 5.636947778238029e-09 -6.692258259590226e-09 -8.726827262676152e-09 ] [ -2.3858015264686044e-09 -3.269926165030131e-09 9.41203109939966e-09 ] [ 1.2447585741373982e-09 7.854117331449516e-09 -4.3691981298098125e-10 ] [ 9.969049431005164e-09 -1.2449399405308727e-09 3.6091606285702875e-09 ] [ 7.140300703108127e-09 -5.763747080143719e-10 -4.384933907490999e-09 ] [ 4.745791346705473e-11 6.392925043485121e-11 2.3439683744641927e-11 ] [ 6.862092506183593e-09 2.1399135578624845e-10 8.304135418958523e-09 ] [ -2.752625952071924e-09 1.3992071987500527e-08 -6.757123020953963e-09 ] [ 1.4449056819609757e-09 6.526032435182227e-09 2.3440377487118732e-09 ] [ -4.7608378680043925e-09 1.9886059204060764e-09 -8.880932300512477e-10 ] [ -1.465464796337315e-08 -6.212146969265719e-09 3.4316255841361115e-08 ] [ -3.3167005899507524e-09 -4.922355055541523e-09 -1.6844068939036018e-09 ] [ 7.558646963177158e-09 2.5534393491325163e-09 -3.3074420919121353e-10 ] [ -6.166554309820599e-09 -5.072887079295801e-09 -3.120228971425887e-08 ] [ -1.2014712866319478e-09 -1.5973457378529643e-09 4.702288085791539e-09 ] [ 1.3628518085033245e-09 4.03388707637867e-09 1.337973209935542e-09 ] [ -1.0860846092315388e-09 2.151388026385329e-09 -5.5689749544476025e-09 ] [ 2.420968662424517e-09 5.948811297259086e-10 6.202549610871803e-10 ] ] "source-value" [ [ -1.2697397000000001 3.0797896000000007 0.6193758000000001 ] [ -4.480211200000001 5.2014076000000005 1.6867677000000005 ] [ -0.5893616000000002 0.4321397000000001 -4.970979900000001 ] [ 2.8453816000000005 0.6283974000000001 2.5070219000000002 ] [ -5.403087800000001 -0.9678433000000002 5.341051600000001 ] [ 0.6610466000000002 2.2025289000000003 -3.8175641000000007 ] [ -0.07515140000000009 0.9083970000000001 -11.441280500000001 ] [ 0.46706480000000017 1.5800586000000005 9.224701900000001 ] [ 12.868611800000004 -3.064803700000001 1.0935432000000003 ] [ 1.9774694000000004 2.4476780000000002 0.9907198000000003 ] [ -3.399658000000001 0.19144340000000004 -5.939639400000001 ] [ 1.7169618000000004 0.9595380000000002 4.126796200000001 ] [ 1.8042728000000003 0.8317961000000003 -0.018408400000000002 ] [ 0.8034673000000002 -7.081562600000002 -0.8432194000000002 ] [ 1.0329699000000003 -7.669582100000002 6.912700000000002 ] [ 2.9002306000000004 2.8905312000000003 -4.518982200000001 ] [ 3.527930500000001 0.8493947000000002 8.681802400000002 ] [ 5.9454020000000005 3.3226590000000007 -12.432998400000004 ] [ 1.0154781000000002 -0.05598769999999996 9.598656500000002 ] [ -1.2116114000000002 4.793703600000001 -8.856481700000002 ] [ 1.0732809000000005 -0.8100425000000001 22.354294700000004 ] [ 0.1663362 -3.793931900000001 -3.014666500000001 ] [ 0.8476669000000002 -0.22444540000000004 1.9454164000000005 ] [ -0.051670700000000194 -5.389137700000001 -24.340719000000007 ] [ -0.0646394 2.2464497000000003 1.0385936000000002 ] [ -1.5740244000000005 4.030438800000001 -8.827152300000002 ] [ -0.6687833 2.9082826000000006 11.847015100000002 ] [ -5.244546800000001 0.27037830000000007 -0.4410156000000001 ] [ -4.480542100000001 -1.8554892000000005 -1.7090865000000004 ] [ -2.2223987000000003 -2.7866783000000006 2.9899950000000004 ] [ -4.916106200000001 -3.745595600000001 -13.171627600000004 ] [ -3.691947900000001 -5.967471700000001 11.367624500000002 ] [ -2.2834798000000003 4.296450100000001 2.4449134000000003 ] [ -9.595486200000002 0.6962142000000001 -0.36808950000000007 ] [ -3.737836400000001 3.840393000000001 -1.9243936000000004 ] [ 1.7385305000000004 5.153172100000001 0.31178390000000006 ] [ -0.30749509999999997 -0.2676224 14.809489100000004 ] [ 2.7685891000000002 0.21992670000000003 -5.028981000000001 ] [ -0.6833697000000001 3.531329300000001 3.0452627000000008 ] [ 2.5747032000000005 -2.1875275000000003 -12.118051200000004 ] [ 0.39184220000000003 -2.3093387000000005 -5.918305900000001 ] [ 1.3583507000000001 -1.9497342000000004 7.165623000000002 ] [ -3.041966200000001 -3.7585930000000007 0.14828910000000003 ] [ 2.2781132000000004 2.8055403000000005 -2.9861139000000003 ] [ 1.2373284000000002 -5.404619900000001 -3.998939000000001 ] [ 2.3963026000000003 -7.509282000000002 3.508450200000001 ] [ 3.518306100000001 -4.1769791000000005 -5.446857200000001 ] [ -1.4891002000000002 -2.0409274000000006 5.874527800000001 ] [ 0.7769172000000002 4.902154500000001 -0.27270390000000005 ] [ 6.222191300000002 -0.7770304000000002 2.2526609000000004 ] [ 4.456625200000001 -0.35974480000000003 -2.7368605000000006 ] [ 0.029620900000000006 0.039901500000000006 0.014629900000000003 ] [ 4.282981300000001 0.13356290000000007 5.183033700000001 ] [ -1.7180540000000004 8.733164500000003 -4.217464500000001 ] [ 0.9018392000000002 4.073229100000001 1.4630333000000002 ] [ -2.9714813000000007 1.2411902000000001 -0.5543042000000001 ] [ -9.146711900000001 -3.8773172000000007 21.418522400000004 ] [ -2.0701217000000005 -3.0722924000000007 -1.0513241000000002 ] [ 4.717736400000001 1.5937315000000005 -0.20643430000000004 ] [ -3.8488605000000007 -3.166247100000001 -19.474937600000004 ] [ -0.7498994000000001 -0.9969848000000002 2.9349374000000004 ] [ 0.8506252000000002 2.5177543000000004 0.8350972000000002 ] [ -0.6778807000000001 1.3427908000000002 -3.475880800000001 ] [ 1.5110498000000006 0.37129560000000006 0.3871327000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.24766e-11 -2.54336e-12 3.01791e-12 ] [ 4.2097600000000006e-11 -1.59557e-11 2.5311e-10 ] [ 2.7480700000000002e-11 -2.5290000000000002e-12 5.30948e-10 ] [ 2.1379200000000002e-11 -2.34977e-12 7.58212e-10 ] [ -1.202e-10 2.37613e-10 -8.0569e-12 ] [ -1.15815e-10 1.84991e-10 2.6909299999999997e-10 ] [ -9.91192e-11 2.23964e-10 5.61161e-10 ] [ -9.7293e-11 2.2989799999999999e-10 7.60055e-10 ] [ -2.91373e-10 4.5314899999999997e-10 8.356740000000001e-12 ] [ -2.47467e-10 4.61494e-10 2.42585e-10 ] [ -2.2052800000000002e-10 4.4847300000000003e-10 5.387660000000001e-10 ] [ -2.2849e-10 4.61478e-10 7.547500000000001e-10 ] [ -3.9573999999999997e-10 6.833800000000001e-10 1.72976e-11 ] [ -3.90761e-10 6.93753e-10 2.48565e-10 ] [ -3.6450700000000004e-10 6.953120000000001e-10 4.73982e-10 ] [ -3.5426e-10 6.91159e-10 7.78603e-10 ] [ 2.52795e-10 -3.10365e-11 -3.69098e-11 ] [ 2.69324e-10 -1.80435e-11 2.8063600000000004e-10 ] [ 2.92512e-10 4.6249600000000005e-12 4.76527e-10 ] [ 3.01062e-10 1.93476e-14 7.783120000000001e-10 ] [ 1.17991e-10 2.4432399999999997e-10 -3.6780400000000006e-11 ] [ 1.3379e-10 2.45731e-10 2.6923e-10 ] [ 1.54349e-10 2.25116e-10 5.08137e-10 ] [ 1.6519200000000002e-10 2.3710399999999997e-10 8.002370000000001e-10 ] [ 7.237630000000001e-12 4.5849700000000005e-10 -3.03845e-12 ] [ 2.0129300000000002e-11 4.60391e-10 2.6561e-10 ] [ 4.1827e-11 4.4555600000000003e-10 4.65494e-10 ] [ 6.91588e-11 4.6529900000000003e-10 7.63588e-10 ] [ -1.10421e-10 6.82646e-10 1.67637e-12 ] [ -9.67401e-11 7.06783e-10 2.49662e-10 ] [ -8.45113e-11 6.78562e-10 5.328970000000001e-10 ] [ -8.2021e-11 7.12449e-10 7.28985e-10 ] [ 5.32205e-10 -1.18658e-11 -3.48466e-11 ] [ 5.81019e-10 -1.82185e-12 2.3447800000000004e-10 ] [ 5.54606e-10 -6.14118e-12 4.94528e-10 ] [ 5.57733e-10 -9.279e-12 7.37554e-10 ] [ 4.0191400000000005e-10 2.2274200000000002e-10 -5.02342e-11 ] [ 3.87092e-10 2.14677e-10 2.3178100000000003e-10 ] [ 4.1991300000000003e-10 2.1795200000000002e-10 4.72485e-10 ] [ 4.2530900000000005e-10 2.4327000000000003e-10 7.64504e-10 ] [ 2.7090800000000003e-10 4.53405e-10 9.8187e-12 ] [ 2.7920600000000003e-10 4.5540000000000005e-10 2.12947e-10 ] [ 3.06724e-10 4.75998e-10 5.21523e-10 ] [ 2.96735e-10 4.38657e-10 7.87584e-10 ] [ 1.26698e-10 7.07182e-10 -3.36983e-12 ] [ 1.3735200000000001e-10 7.04775e-10 2.13236e-10 ] [ 1.5165900000000001e-10 7.20053e-10 5.192389999999999e-10 ] [ 1.90047e-10 6.72082e-10 7.20278e-10 ] [ 8.045640000000001e-10 -2.7769100000000002e-11 -2.35238e-11 ] [ 7.99699e-10 -7.39306e-12 2.1822e-10 ] [ 8.045450000000001e-10 1.1620600000000002e-11 4.92256e-10 ] [ 8.221000000000001e-10 -1.3564599999999999e-11 7.47738e-10 ] [ 6.497020000000001e-10 2.1502400000000003e-10 -4.0209600000000004e-11 ] [ 6.6679e-10 1.98011e-10 2.4164300000000003e-10 ] [ 6.83305e-10 2.1766100000000004e-10 4.80135e-10 ] [ 6.96826e-10 1.9742500000000002e-10 7.32397e-10 ] [ 5.63388e-10 4.7883e-10 -4.50782e-11 ] [ 5.531990000000001e-10 4.4692299999999997e-10 2.2932800000000003e-10 ] [ 5.5418e-10 4.4960500000000007e-10 4.84509e-10 ] [ 5.751629999999999e-10 4.66616e-10 7.91371e-10 ] [ 3.98872e-10 6.71969e-10 -3.66761e-11 ] [ 3.98944e-10 6.642680000000001e-10 2.1528700000000001e-10 ] [ 4.2825100000000005e-10 6.79592e-10 5.293859999999999e-10 ] [ 4.2687099999999995e-10 6.64573e-10 7.50153e-10 ] ] "source-value" [ [ 0.124766 -0.0254336 0.0301791 ] [ 0.420976 -0.159557 2.5311 ] [ 0.274807 -0.02529 5.30948 ] [ 0.213792 -0.0234977 7.58212 ] [ -1.202 2.37613 -0.080569 ] [ -1.15815 1.84991 2.69093 ] [ -0.991192 2.23964 5.61161 ] [ -0.97293 2.29898 7.60055 ] [ -2.91373 4.53149 0.0835674 ] [ -2.47467 4.61494 2.42585 ] [ -2.20528 4.48473 5.38766 ] [ -2.2849 4.61478 7.5475 ] [ -3.9574 6.8338 0.172976 ] [ -3.90761 6.93753 2.48565 ] [ -3.64507 6.95312 4.73982 ] [ -3.5426 6.91159 7.78603 ] [ 2.52795 -0.310365 -0.369098 ] [ 2.69324 -0.180435 2.80636 ] [ 2.92512 0.0462496 4.76527 ] [ 3.01062 0.000193476 7.78312 ] [ 1.17991 2.44324 -0.367804 ] [ 1.3379 2.45731 2.6923 ] [ 1.54349 2.25116 5.08137 ] [ 1.65192 2.37104 8.00237 ] [ 0.0723763 4.58497 -0.0303845 ] [ 0.201293 4.60391 2.6561 ] [ 0.41827 4.45556 4.65494 ] [ 0.691588 4.65299 7.63588 ] [ -1.10421 6.82646 0.0167637 ] [ -0.967401 7.06783 2.49662 ] [ -0.845113 6.78562 5.32897 ] [ -0.82021 7.12449 7.28985 ] [ 5.32205 -0.118658 -0.348466 ] [ 5.81019 -0.0182185 2.34478 ] [ 5.54606 -0.0614118 4.94528 ] [ 5.57733 -0.09279 7.37554 ] [ 4.01914 2.22742 -0.502342 ] [ 3.87092 2.14677 2.31781 ] [ 4.19913 2.17952 4.72485 ] [ 4.25309 2.4327 7.64504 ] [ 2.70908 4.53405 0.098187 ] [ 2.79206 4.554 2.12947 ] [ 3.06724 4.75998 5.21523 ] [ 2.96735 4.38657 7.87584 ] [ 1.26698 7.07182 -0.0336983 ] [ 1.37352 7.04775 2.13236 ] [ 1.51659 7.20053 5.19239 ] [ 1.90047 6.72082 7.20278 ] [ 8.04564 -0.277691 -0.235238 ] [ 7.99699 -0.0739306 2.1822 ] [ 8.04545 0.116206 4.92256 ] [ 8.221 -0.135646 7.47738 ] [ 6.49702 2.15024 -0.402096 ] [ 6.6679 1.98011 2.41643 ] [ 6.83305 2.17661 4.80135 ] [ 6.96826 1.97425 7.32397 ] [ 5.63388 4.7883 -0.450782 ] [ 5.53199 4.46923 2.29328 ] [ 5.5418 4.49605 4.84509 ] [ 5.75163 4.66616 7.91371 ] [ 3.98872 6.71969 -0.366761 ] [ 3.98944 6.64268 2.15287 ] [ 4.28251 6.79592 5.29386 ] [ 4.26871 6.64573 7.50153 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.185825510939407e-17 "source-value" -198.84359 } }