{ "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" [ [ -4.4569729 -2.8581127 -0.1588409 ] [ 5.2429132 2.2791085 2.0454108 ] [ 3.6633597 11.7216909 2.5927902 ] [ -3.444389 -2.8374185 1.9850456 ] [ -1.6281983 -2.6541813 -2.6722751 ] [ 2.1094829 2.1580895 2.0538054 ] [ 1.4130744 2.9209817 -2.4807211 ] [ -0.7928292 2.4741583 -8.6145533 ] [ 1.7788167 -0.1702375 -1.7165502 ] [ 0.7418767 -1.7495137 1.2394964 ] [ 0.1609306 1.9460369 -0.7818742 ] [ -0.4634372 -4.9292397 4.0977904 ] [ -2.0615757 5.4121281 -1.0535778 ] [ 5.5250683 -3.6115437 0.5309004 ] [ 1.4425124 5.0226283 5.2996001 ] [ 6.137437 -2.8435542 1.7087182 ] [ -3.1827476 -2.2495535 -0.4535187 ] [ -6.5627662 -3.1478755 -3.4783838 ] [ 1.2339752 -0.6093611 -1.9579559 ] [ 3.1601237 0.4804602 -1.6755558 ] [ 0.3574248 2.5286787 0.8138586 ] [ 9.6520989 -10.3569185 -3.5622714 ] [ -4.6102191 3.0727143 -4.3731887 ] [ 2.3393568 -1.1511295 1.4118868 ] [ -3.384048 1.9956591 -5.3053881 ] [ -0.8483302 -1.2685104 -1.4145701 ] [ 1.8854071 -7.5670919 -0.3588164 ] [ -6.259126 1.8122396 0.8749068 ] [ 5.749833 -0.8668836 1.8618299 ] [ 0.9277148 1.2834963 1.9742408 ] [ -0.5038707 -1.4903427 2.3837214 ] [ 4.1662785 -1.4048292 1.9438978 ] [ 0.2115838 3.1166477 -2.7731351 ] [ -0.1580969 1.6071857 5.7823783 ] [ -3.5434508 -0.5520423 -3.7390625 ] [ 3.544871 -0.6821987 2.4102634 ] [ 5.3613083 -1.9882435 -5.6567826 ] [ 3.5229372 2.5741714 -0.0551923 ] [ 3.296373 -1.4217654 -4.5958834 ] [ 1.2506617 1.9790713 -0.7580446 ] [ -5.5883669 -0.1288164 -4.4427544 ] [ -2.2793504 -1.0414208 1.4042217 ] [ -3.261149 2.4025709 2.4041824 ] [ 2.8205616 -0.0840258 2.0006211 ] [ 2.0877895 2.7250817 4.3272652 ] [ 1.0254688 0.6563108 0.0628743 ] [ -1.5375662 -0.5070948 -9.1389313 ] [ 4.6050557 5.5026371 4.0173037 ] [ 0.8843323 6.906845 -0.6217797 ] [ -5.1394202 -2.3566742 1.7408682 ] [ -4.5373452 -2.2628041 0.9723566 ] [ 3.9784305 -2.8573335 4.4340554 ] [ -2.9729406 7.6268922 6.0568151 ] [ -7.7291742 -3.4549283 -4.4557844 ] [ 7.6845993 0.8028641 1.7115978 ] [ 1.4272218 5.5519755 0.2122348 ] [ -1.9646774 -0.291502 4.0314569 ] [ -1.8788586 -4.8258339 2.7720408 ] [ -0.7816987 2.893668 0.7472752 ] [ -2.1286455 -4.5625623 0.433271 ] [ -4.7298802 -0.1697108 -4.7325973 ] [ 4.6079835 2.0493896 2.6305976 ] [ -9.1008336 -9.1752088 -0.1903144 ] [ -8.4668985 -3.3749187 0.2487245 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.140857779919177e-09 -4.579201347551564e-09 -2.5449117640683077e-10 ] [ 8.400072953923715e-09 3.651534354966557e-09 3.2771093636918246e-09 ] [ 5.869349264920902e-09 1.878021911622411e-08 4.154107841079357e-09 ] [ -5.518519528740692e-09 -4.546045584125405e-09 3.180393651541909e-09 ] [ -2.6086612502863045e-09 -4.252467226224551e-09 -4.281456689565982e-09 ] [ 3.3797641843573847e-09 3.4576405424939615e-09 3.2905589955527924e-09 ] [ 2.2639947671309874e-09 4.679928589524639e-09 -3.9745533491452585e-09 ] [ -1.2702524085275674e-09 3.964038584418273e-09 -1.380203589589549e-08 ] [ 2.849978529428607e-09 -2.7275054248344005e-10 -2.750216598869564e-09 ] [ 1.1886175042562554e-09 -2.803029947909305e-09 1.985892153645765e-09 ] [ 2.578392448913165e-10 3.1178948243941077e-09 -1.2527005636467033e-09 ] [ -7.425082470490137e-10 -7.897512605659207e-09 6.5653839758186805e-09 ] [ -3.3030083885493947e-09 8.671185110594726e-09 -1.6880177193538982e-09 ] [ 8.852135258583201e-09 -5.786330881137529e-09 8.505962088533684e-10 ] [ 2.311159642494098e-09 8.04713763722845e-09 8.490895379809343e-09 ] [ 9.83325807303289e-09 -4.555876059217647e-09 2.737668351575459e-09 ] [ -5.09932379462731e-09 -3.604182024938813e-09 -7.26617058235609e-10 ] [ -1.0514710573416459e-08 -5.0434525312891104e-09 -5.572985202529464e-09 ] [ 1.977046216087004e-09 -9.76304108044971e-10 -3.136991167537423e-09 ] [ 5.0630763109759935e-09 7.697820996648922e-10 -2.6845363296058405e-09 ] [ 5.726576582541159e-10 4.051389894654937e-09 1.3039452215570189e-09 ] [ 1.54643671992294e-08 -1.6593612684231006e-08 -5.707387954024486e-09 ] [ -7.386385258785618e-09 4.9230310138578375e-09 -7.006620693486745e-09 ] [ 3.748062772669502e-09 -1.8443127724131935e-09 2.2620920221761256e-09 ] [ -5.421842589264999e-09 3.1973983531067692e-09 -8.500168778090533e-09 ] [ -1.3591748131585882e-09 -2.0323777061216565e-09 -2.266391142702718e-09 ] [ 3.0207551763103276e-09 -1.2123817729625053e-08 -5.748872472396211e-10 ] [ -1.002822534384142e-08 2.9035279184079437e-09 1.4017552203389415e-09 ] [ 9.212248006104326e-09 -1.388900636874939e-09 2.982980337686402e-09 ] [ 1.4863629633301479e-09 2.056387764743303e-09 3.163082453589489e-09 ] [ -8.072898554461306e-10 -2.3877922309199484e-09 3.819142697580646e-09 ] [ 6.675114008441693e-09 -2.2507845004571676e-09 3.1144676083845545e-09 ] [ 3.3899461770002305e-10 4.993420080210092e-09 -4.443052223539871e-09 ] [ -2.5329915700095554e-10 2.574995353824083e-09 9.264391324881249e-09 ] [ -5.677234028715057e-09 -8.844692667526598e-10 -5.9906385212100006e-09 ] [ 5.679509439951917e-09 -1.093002807880153e-09 3.861667669449919e-09 ] [ 8.589762815160993e-09 -3.185517252157565e-09 -9.063164830668238e-09 ] [ 5.644367618386614e-09 4.124277235012005e-09 -8.842781270817984e-11 ] [ 5.281371754036359e-09 -2.2779192841423605e-09 -7.363416935402815e-09 ] [ 2.0037809362699832e-09 3.1708217677562633e-09 -1.2145213356436877e-09 ] [ -8.953550795632572e-09 -2.0638662445562112e-10 -7.118077231636332e-09 ] [ -3.651921921491129e-09 -1.6685400581748328e-09 2.2498111781600314e-09 ] [ -5.2249366847453e-09 3.849342925794415e-09 3.851924833418834e-09 ] [ 4.519037853046242e-09 -1.3462417230401664e-10 3.205348353499179e-09 ] [ 3.3450075260517215e-09 4.36606218950992e-09 6.933043135441437e-09 ] [ 1.6429821367198313e-09 1.0515258197385447e-09 1.0073573350916543e-10 ] [ -2.4634526185722973e-09 -8.124554330892518e-10 -1.464218206795735e-08 ] [ 7.3781125800217794e-09 8.816196514366712e-09 6.4364300667933375e-09 ] [ 1.4168565360782917e-09 1.1065985582489376e-08 -9.962008986280378e-10 ] [ -8.23425888890726e-09 -3.775808306082544e-09 2.7891783299341786e-09 ] [ -7.2696283999391e-09 -3.625411826470385e-09 1.5578870116005773e-09 ] [ 6.374148334577655e-09 -4.577952931528637e-09 7.104139897211993e-09 ] [ -4.763175924347124e-09 1.221962837220188e-08 9.704087549728414e-09 ] [ -1.2383502201330544e-08 -5.535405348800289e-09 -7.138953593005355e-09 ] [ 1.2312085338676046e-08 1.2863300906996333e-09 2.7422819793727145e-09 ] [ 2.2866614006560937e-09 8.89524534535439e-09 3.4003763468016385e-10 ] [ -3.14776019769413e-09 -4.670376893164416e-10 6.459105992942844e-09 ] [ -3.010263322709019e-09 -7.731838250444085e-09 4.441298961663729e-09 ] [ -1.252419381649753e-09 4.636167217957095e-09 1.1972668547436442e-09 ] [ -3.4104660540711266e-09 -7.310030648003476e-09 6.941766666706368e-10 ] [ -7.578103475624829e-09 -2.7190667605726464e-10 -7.582456749721204e-09 ] [ 7.3828034327321564e-09 3.2834841040306637e-09 4.214681973452591e-09 ] [ -1.4581142823711098e-08 -1.4700305030318423e-08 -3.049172822815795e-10 ] [ -1.3565466827386588e-08 -5.407215838240729e-09 3.985005789201696e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 1329.9365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.130793167448579e-16 } }