{ "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" [ 10.4623 0 0 ] "si-unit" "m" "si-value" [ 1.04623e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.17702 9.10902 0 ] "si-unit" "m" "si-value" [ -5.17702e-10 9.109019999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.273433 0.71284 10.6008 ] "si-unit" "m" "si-value" [ -2.73433e-11 7.128400000000001e-11 1.06008e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0430826 0.115296 0.202802 ] [ -0.136623 0.0595937 3.05988 ] [ -0.303173 0.402205 4.89357 ] [ -0.0276834 0.334505 7.92467 ] [ -1.31707 2.22617 -0.102221 ] [ -1.2854 2.14432 2.82217 ] [ -1.38223 2.40391 4.88676 ] [ -1.52216 2.48021 7.77842 ] [ -2.6326 4.53463 0.181318 ] [ -2.52911 4.73367 2.17148 ] [ -2.70272 5.13572 5.29351 ] [ -2.79845 4.92805 7.71147 ] [ -3.84074 6.90959 0.133047 ] [ -4.02284 7.03418 2.36212 ] [ -3.94316 6.99519 4.93003 ] [ -3.82567 7.50166 7.75349 ] [ 2.80879 0.0390403 -0.289936 ] [ 2.50906 0.149879 2.92328 ] [ 2.47609 0.201173 5.15515 ] [ 2.39848 0.755178 7.96573 ] [ 1.30067 2.26939 -0.0162389 ] [ 1.3322 2.23612 2.56102 ] [ 1.43269 2.32698 5.33682 ] [ 0.997156 2.84236 7.7662 ] [ 0.335137 4.35968 -0.417904 ] [ -0.0835215 5.02199 2.22868 ] [ -0.0747447 4.77134 5.08816 ] [ -0.136421 4.86033 7.73109 ] [ -1.12424 6.89488 -0.0331194 ] [ -1.67836 7.07189 2.72226 ] [ -1.39063 6.95309 5.06575 ] [ -1.54387 7.49711 7.4399 ] [ 5.1208 -0.138776 0.333694 ] [ 5.30155 0.134077 2.4594 ] [ 5.27699 0.00484285 4.9212 ] [ 4.85928 0.233865 7.63149 ] [ 3.97831 2.27292 -0.000362991 ] [ 3.94969 2.3684 2.5422 ] [ 3.84843 2.64726 5.29769 ] [ 3.63978 2.5476 7.93726 ] [ 2.87518 4.1926 -0.107875 ] [ 2.32498 4.73478 2.67503 ] [ 2.54136 4.68928 4.67454 ] [ 2.25924 4.7252 7.75096 ] [ 1.06839 6.97292 -0.00496059 ] [ 1.32109 7.03447 2.67824 ] [ 1.24084 7.04082 5.05633 ] [ 1.38535 6.77454 7.91628 ] [ 8.05661 0.321403 -0.170494 ] [ 7.81102 0.0822359 2.86153 ] [ 7.82491 0.192494 5.73545 ] [ 7.56629 0.435652 7.81187 ] [ 6.5856 2.29276 0.0590417 ] [ 6.6217 2.25416 3.01817 ] [ 6.54816 2.54821 5.14252 ] [ 6.36274 2.84257 8.10785 ] [ 4.9263 4.65842 0.264935 ] [ 5.31998 4.33999 2.89505 ] [ 4.93083 4.73588 5.44301 ] [ 4.88796 4.45959 7.8083 ] [ 3.90175 6.71856 0.0507464 ] [ 3.88371 7.02909 2.28992 ] [ 3.98695 6.94934 4.69665 ] [ 3.91958 7.1469 7.65695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.30826e-12 1.15296e-11 2.0280200000000002e-11 ] [ -1.36623e-11 5.95937e-12 3.0598800000000003e-10 ] [ -3.0317300000000004e-11 4.02205e-11 4.89357e-10 ] [ -2.7683400000000003e-12 3.34505e-11 7.92467e-10 ] [ -1.31707e-10 2.2261700000000003e-10 -1.02221e-11 ] [ -1.2854e-10 2.1443200000000002e-10 2.82217e-10 ] [ -1.3822300000000001e-10 2.4039100000000004e-10 4.88676e-10 ] [ -1.52216e-10 2.48021e-10 7.77842e-10 ] [ -2.6326000000000003e-10 4.5346300000000003e-10 1.81318e-11 ] [ -2.52911e-10 4.733670000000001e-10 2.17148e-10 ] [ -2.70272e-10 5.13572e-10 5.29351e-10 ] [ -2.79845e-10 4.92805e-10 7.71147e-10 ] [ -3.84074e-10 6.90959e-10 1.3304700000000001e-11 ] [ -4.0228400000000007e-10 7.03418e-10 2.36212e-10 ] [ -3.9431600000000006e-10 6.995190000000001e-10 4.930030000000001e-10 ] [ -3.8256700000000003e-10 7.501660000000001e-10 7.75349e-10 ] [ 2.80879e-10 3.90403e-12 -2.8993600000000005e-11 ] [ 2.50906e-10 1.49879e-11 2.92328e-10 ] [ 2.4760900000000003e-10 2.01173e-11 5.155150000000001e-10 ] [ 2.3984800000000004e-10 7.55178e-11 7.96573e-10 ] [ 1.30067e-10 2.26939e-10 -1.62389e-12 ] [ 1.3322e-10 2.23612e-10 2.56102e-10 ] [ 1.43269e-10 2.32698e-10 5.336820000000001e-10 ] [ 9.971560000000001e-11 2.84236e-10 7.766200000000001e-10 ] [ 3.3513700000000006e-11 4.3596800000000003e-10 -4.1790400000000003e-11 ] [ -8.352150000000001e-12 5.02199e-10 2.2286800000000004e-10 ] [ -7.47447e-12 4.77134e-10 5.088160000000001e-10 ] [ -1.36421e-11 4.860330000000001e-10 7.73109e-10 ] [ -1.1242399999999999e-10 6.894879999999999e-10 -3.31194e-12 ] [ -1.67836e-10 7.07189e-10 2.72226e-10 ] [ -1.39063e-10 6.95309e-10 5.065750000000001e-10 ] [ -1.5438700000000002e-10 7.49711e-10 7.4399e-10 ] [ 5.120800000000001e-10 -1.3877600000000002e-11 3.33694e-11 ] [ 5.30155e-10 1.34077e-11 2.4594000000000003e-10 ] [ 5.276989999999999e-10 4.84285e-13 4.9212e-10 ] [ 4.85928e-10 2.33865e-11 7.631490000000001e-10 ] [ 3.97831e-10 2.2729200000000001e-10 -3.6299100000000005e-14 ] [ 3.94969e-10 2.3684e-10 2.5422e-10 ] [ 3.84843e-10 2.6472600000000004e-10 5.29769e-10 ] [ 3.63978e-10 2.5476e-10 7.937260000000001e-10 ] [ 2.87518e-10 4.1925999999999996e-10 -1.07875e-11 ] [ 2.32498e-10 4.73478e-10 2.6750300000000003e-10 ] [ 2.5413600000000003e-10 4.68928e-10 4.67454e-10 ] [ 2.2592400000000002e-10 4.7252e-10 7.75096e-10 ] [ 1.06839e-10 6.972920000000001e-10 -4.96059e-13 ] [ 1.3210900000000001e-10 7.03447e-10 2.6782400000000005e-10 ] [ 1.24084e-10 7.04082e-10 5.056330000000001e-10 ] [ 1.38535e-10 6.77454e-10 7.916280000000001e-10 ] [ 8.05661e-10 3.2140300000000004e-11 -1.70494e-11 ] [ 7.81102e-10 8.22359e-12 2.86153e-10 ] [ 7.824910000000001e-10 1.92494e-11 5.73545e-10 ] [ 7.566290000000001e-10 4.35652e-11 7.81187e-10 ] [ 6.5856e-10 2.29276e-10 5.90417e-12 ] [ 6.6217e-10 2.2541600000000003e-10 3.01817e-10 ] [ 6.548160000000001e-10 2.54821e-10 5.142520000000001e-10 ] [ 6.362739999999999e-10 2.84257e-10 8.107849999999999e-10 ] [ 4.926300000000001e-10 4.658419999999999e-10 2.6493499999999998e-11 ] [ 5.31998e-10 4.3399900000000004e-10 2.89505e-10 ] [ 4.93083e-10 4.73588e-10 5.443010000000001e-10 ] [ 4.88796e-10 4.4595900000000007e-10 7.8083e-10 ] [ 3.90175e-10 6.718560000000001e-10 5.07464e-12 ] [ 3.8837100000000003e-10 7.02909e-10 2.28992e-10 ] [ 3.9869500000000004e-10 6.94934e-10 4.696650000000001e-10 ] [ 3.91958e-10 7.146899999999999e-10 7.65695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.8762085000000015 -12.139238000000004 1.1451830000000003 ] [ 7.444428000000002 -9.159604100000001 -47.328883100000006 ] [ 4.759584900000001 0.3430460000000001 49.53915400000002 ] [ -7.117201400000002 -0.9426119000000002 1.8441265000000004 ] [ 8.338272600000002 15.612475200000004 -2.6704262000000005 ] [ 0.5520590000000001 6.298529700000001 -22.091822600000004 ] [ -2.9217872000000003 7.754531600000002 20.299864900000003 ] [ 1.0895485000000003 4.617156600000001 1.0183854000000003 ] [ 1.6536962000000004 0.10812670000000003 -30.72697030000001 ] [ -1.5391580000000005 -4.6471537000000005 31.554039900000006 ] [ -4.551257400000001 -10.225938900000001 2.2472668000000002 ] [ -0.8612714000000002 0.13231810000000002 -0.12295070000000002 ] [ -0.22592240000000005 -1.4213200000000001 -8.040952700000002 ] [ -2.0379372000000004 -2.5869801000000003 5.436657900000001 ] [ -8.598350100000001 6.093547900000002 1.6354113000000003 ] [ -1.1861228000000001 -11.238602200000003 0.005738600000000001 ] [ -1.6280236000000003 2.3755008000000006 -1.5922407000000005 ] [ -1.2625895000000003 0.26425080000000006 -4.831287500000001 ] [ -3.3275208000000007 -6.268031800000002 5.622198700000001 ] [ -12.263428600000003 -8.269876500000002 2.8158156000000005 ] [ 1.3357570000000003 -6.5936872000000015 2.5878969000000005 ] [ -2.9402072000000006 4.416714500000001 -3.5404712000000007 ] [ -4.860508200000001 7.5435088000000015 2.7770342000000006 ] [ 1.7470715000000006 -9.923211600000002 -1.3417928000000001 ] [ -9.569239300000001 11.398784500000001 0.9308327000000002 ] [ -0.7945224000000002 -2.2513529000000005 -3.9792704000000008 ] [ 0.7647598000000002 -4.127393200000001 0.8783327000000002 ] [ -19.433065500000005 3.335414000000001 -1.3374177000000003 ] [ -23.115175000000004 -14.719418900000004 -1.4204090000000003 ] [ 6.263117000000002 2.1964633000000005 0.8524223000000002 ] [ 8.892315800000002 2.7805608000000004 0.8565171000000003 ] [ 3.208528500000001 -7.973484800000001 -0.5163866000000001 ] [ 3.556187000000001 11.894557200000001 -3.950069900000001 ] [ -3.623332300000001 1.5579190000000005 5.179683700000001 ] [ -3.8261567000000007 7.476146600000002 3.3550063000000008 ] [ 13.427380300000003 11.755196000000002 -0.5183676000000002 ] [ 0.15785150000000003 -9.402857900000003 -2.1573603000000006 ] [ -1.1348236000000003 -2.8631866000000006 -1.8339386000000004 ] [ 1.4495457000000003 -7.851201700000002 1.7147166000000005 ] [ 4.852324900000001 3.738214500000001 -0.5128133000000001 ] [ -21.468634800000004 1.2741990000000003 -6.816556800000002 ] [ 6.469178200000002 -0.9055085000000003 -24.528216300000008 ] [ -1.1468842000000001 1.3897404000000002 22.497893200000004 ] [ 19.274323800000005 -4.294791400000001 2.8400009000000006 ] [ 28.45198540000001 -7.804153000000002 -2.1574382000000005 ] [ -3.130845800000001 1.8663561000000004 -2.9005099000000003 ] [ 4.0243587000000005 -2.1411896000000006 3.838509300000001 ] [ -3.440378700000001 20.334114800000002 2.2552251000000005 ] [ -12.689266900000003 -15.109300400000004 -0.4739662000000001 ] [ 1.0731923000000003 -2.2696984000000002 -2.6691638000000006 ] [ 1.8340252000000004 -1.5149186000000003 -18.842878800000005 ] [ -2.1766500000000004 -2.5386827000000003 17.794221600000004 ] [ -9.842336900000001 5.072205300000001 -1.7027525000000003 ] [ 3.702539900000001 4.358270400000001 -12.778054900000004 ] [ 3.1723437000000008 -0.14408920000000003 10.586999700000002 ] [ 6.884227100000002 -9.224009600000002 4.241947800000001 ] [ 29.607425400000007 1.1256908000000003 5.108013200000001 ] [ -6.236500800000002 7.695614500000001 -3.113359700000001 ] [ 4.960959000000001 3.623152300000001 1.6951691000000004 ] [ -3.031455700000001 18.095676700000002 -2.6165590000000005 ] [ -2.9019067000000005 7.009102900000002 -6.778476300000002 ] [ -0.7008216000000002 -5.777184900000001 4.6118573000000005 ] [ -1.4885717000000003 0.9300669000000003 5.6916644000000005 ] [ -0.7513411000000002 -0.13847450000000003 0.4339765000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1016900498446239e-08 -1.9449203317926957e-08 1.8347854291376069e-09 ] [ 1.1927288496828906e-08 -1.4675303544803827e-08 -7.582922999139625e-08 ] [ 7.625695651492708e-09 5.496202810589569e-10 7.937047435301083e-08 ] [ -1.1403013688605032e-08 -1.510230748667868e-09 2.954616364097732e-09 ] [ 1.3359385417577233e-08 2.501394275825981e-08 -4.278494425211786e-09 ] [ 8.844960231022274e-10 1.009135703075444e-08 -3.539500168058108e-08 ] [ -4.6812191427926945e-09 1.2424129234774821e-08 3.252396894817854e-08 ] [ 1.7456491339277093e-09 7.39750035909242e-09 1.6316332788440569e-09 ] [ 2.6495133895458016e-09 1.7323807082425542e-10 -4.923003344267598e-08 ] [ -2.4660029633172874e-09 -7.445561011404218e-09 5.055514501957038e-08 ] [ -7.2919182015229955e-09 -1.6383760231309272e-08 3.60051832766003e-09 ] [ -1.3799089012436856e-09 2.1199696632867653e-10 -1.969887370509946e-10 ] [ -3.61967587395026e-10 -2.2772056746754562e-09 -1.288302642489864e-08 ] [ -3.2651353364986144e-09 -4.144799034694846e-09 8.710486182667626e-09 ] [ -1.3776075507673344e-08 9.762939983104939e-09 2.620217750252136e-09 ] [ -1.9003782195578347e-09 -1.800622569531145e-08 9.194250756122882e-12 ] [ -2.6083813500306517e-09 3.805971844451698e-09 -2.5510508242262276e-09 ] [ -2.022891378567562e-09 4.233764537876968e-10 -7.740575880863283e-09 ] [ -5.331276030985714e-09 -1.0042494008390945e-08 9.007755314632155e-09 ] [ -1.964817859377008e-08 -1.3249802785203335e-08 4.511433922803925e-09 ] [ 2.1401186364699463e-09 -1.0564251476708217e-08 4.1462679102207964e-09 ] [ -4.710731236147831e-09 7.076356712648364e-09 -5.6724601832557226e-09 ] [ -7.787392603246692e-09 1.2086033438159066e-08 4.449299270402033e-09 ] [ 2.799117112165988e-09 -1.5898737628771365e-08 -2.1497890541177704e-09 ] [ -1.533161148530056e-08 1.826286603143742e-08 1.4913583898161405e-09 ] [ -1.2729652139819062e-09 -3.6070649815502812e-09 -6.375494002721466e-09 ] [ 1.2252802720876842e-09 -6.612812889888901e-09 1.4072441172241404e-09 ] [ -3.1135203214575074e-08 5.343922331489013e-09 -2.142779371184109e-09 ] [ -3.703459297070065e-08 -2.358310883334166e-08 -2.2757460917739077e-09 ] [ 1.0034619630735037e-08 3.5191221477052174e-09 1.3657310801085642e-09 ] [ 1.4247060479530452e-08 4.454949506472945e-09 1.372291672935416e-09 ] [ 5.140629349870495e-09 -1.2774930932864167e-08 -8.273425378144016e-10 ] [ 5.697639670592891e-09 1.9057181460608312e-08 -6.3287096443057954e-09 ] [ -5.805218300449493e-09 2.496061398900116e-09 8.298768127278843e-09 ] [ -6.130178812257281e-09 1.1978107296193412e-08 5.375312656496713e-09 ] [ 2.1513034795250494e-08 1.883390020412168e-08 -8.305164497002063e-10 ] [ 2.529059828582113e-10 -1.5065039096084587e-08 -3.456472235302075e-09 ] [ -1.8181878406520913e-09 -4.5873306315078426e-09 -2.938293548902684e-09 ] [ 2.322428231321171e-09 -1.2579011808925218e-08 2.747278847817666e-09 ] [ 7.7742815113057e-09 5.989279875435564e-09 -8.216174800952969e-10 ] [ -3.439654475705329e-08 2.04149184804674e-09 -1.0921327939315265e-08 ] [ 1.0364766067829029e-08 -1.4507845486356773e-09 -3.9298534705785495e-08 ] [ -1.8375110520049116e-09 2.2266095778612408e-09 3.6045598502295304e-08 ] [ 3.088087097408902e-08 -6.881014372292903e-09 4.55018304503096e-09 ] [ 4.5585105823222955e-08 -1.2503631481746186e-08 -3.4565970448608353e-09 ] [ -5.016167944089874e-09 2.9902321095074677e-09 -4.6471291501789465e-09 ] [ 6.447733422853082e-09 -3.4305639178201048e-09 6.149969859183376e-09 ] [ -5.5120943198382985e-09 3.2578843337223275e-08 3.613268929861343e-09 ] [ -2.0330446762271297e-08 -2.4207767857524095e-08 -7.593775646894172e-10 ] [ 1.7194436126825804e-09 -3.6364577127471673e-09 -4.276471837445688e-09 ] [ 2.9384322973980447e-09 -2.4271671633350675e-09 -3.018961988192797e-08 ] [ -3.4873777416643208e-09 -4.067418069569421e-09 2.8509485832854377e-08 ] [ -1.576916207521715e-08 8.126568747557853e-09 -2.7281102465087528e-09 ] [ 5.9321228653591716e-09 6.982718942004667e-09 -2.047270082007889e-08 ] [ 5.082654909282171e-09 -2.3085634754977542e-10 1.6962243403756616e-08 ] [ 1.1029747711897788e-08 -1.4778492531154763e-08 6.796349591813996e-09 ] [ 4.74363247779601e-08 1.8035554820096492e-09 8.183939327777797e-09 ] [ -9.9919757773605e-09 1.2329733634589483e-08 -4.988152123480903e-09 ] [ 7.948332526547349e-09 5.804929908657749e-09 2.715960300322578e-09 ] [ -4.8569274495309e-09 2.89924701462953e-08 -4.192189656743828e-09 ] [ -4.64936707048288e-09 1.1229820799161485e-08 -1.0860316252506892e-08 ] [ -1.1228399828716497e-09 -9.256070580818788e-09 7.389009944525813e-09 ] [ -2.384954776124512e-09 1.490131442959932e-09 9.11905163511966e-09 ] [ -1.2037811446661553e-09 -2.2186060647696966e-10 6.953070022766114e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -171.39402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.746034917889276e-17 } }