{ "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" [ [ 3.0876957000000007 -4.635143900000001 -0.18230890000000002 ] [ 3.539715700000001 -2.5411107000000004 -27.863200700000007 ] [ 0.9125572000000002 0.9448273000000003 29.390387500000006 ] [ -4.096595800000001 0.9799870000000003 2.5137629000000006 ] [ 3.657370400000001 9.226116000000001 -2.0547626000000005 ] [ 0.8293653000000002 4.120445300000001 -10.683521400000002 ] [ -0.5138457000000001 4.671449100000001 8.338972300000002 ] [ -0.024542400000000006 1.0924904000000002 1.2990595000000003 ] [ -0.7000587000000001 -0.5665588000000001 -14.022921700000003 ] [ -1.8104465000000005 -1.5308332000000004 14.726003200000003 ] [ -2.5799724000000004 -7.813681000000002 2.9502165000000002 ] [ -0.24842540000000005 0.14872270000000004 -1.3520558000000003 ] [ -1.2374568000000001 0.07359550000000001 -4.702118800000001 ] [ -1.0497421000000002 -2.0960344000000006 3.342547000000001 ] [ -4.826923700000001 3.093716500000001 1.5003872000000005 ] [ -2.0373432000000005 -6.5076819000000015 -0.13375280000000003 ] [ -1.9296520000000004 0.013569400000000004 -2.7567540000000004 ] [ -0.3588235000000001 1.2663541000000003 -0.8883846000000002 ] [ 0.24716120000000005 -2.8212037000000003 2.0026064000000003 ] [ -4.634829900000001 -5.943371400000001 3.529924400000001 ] [ 0.28329950000000004 -4.347426600000001 2.1581137000000004 ] [ -2.0707736000000003 3.463108600000001 -2.6063249000000006 ] [ -3.474942700000001 2.3578865000000007 1.6942236000000004 ] [ -1.5249345000000005 -5.508477700000001 -0.9802400000000002 ] [ -4.732105400000001 4.690602700000001 -1.1658462000000003 ] [ -0.3773131000000001 -3.696748200000001 -0.6644606000000001 ] [ 0.22250460000000005 -1.2823897000000002 0.6072404000000001 ] [ -8.776607000000002 3.3566800000000008 -0.8467724000000002 ] [ -10.012547300000001 -5.556636700000001 -0.7548695000000002 ] [ 3.894933200000001 -0.6213150000000001 -0.8332604000000002 ] [ 5.674672400000001 2.3080380000000003 0.3915902000000001 ] [ 3.274325900000001 -6.194876400000002 -1.1231015000000002 ] [ 3.103411200000001 6.128373100000002 -3.626618400000001 ] [ -3.038966600000001 1.1602569000000003 3.751200200000001 ] [ -1.2317770000000001 4.152739400000001 3.175676600000001 ] [ 5.294886600000001 5.0006352000000005 -1.0008726000000001 ] [ 1.1078998000000002 -5.299272200000001 -0.8812562000000003 ] [ -0.7696452000000003 -1.3070715000000002 -1.8932818000000005 ] [ 0.6902157000000001 -3.7600890000000007 1.0197269000000002 ] [ 5.464801500000001 3.767632400000001 0.11660850000000003 ] [ -9.390703200000003 2.9113852000000002 -4.452812800000001 ] [ 3.0829842000000007 -1.7137525000000005 -13.419927800000004 ] [ -0.9410332000000002 0.8831296000000002 13.131039500000004 ] [ 9.162047700000002 -1.5268223000000005 1.4891167000000003 ] [ 11.874630300000002 -4.927711600000001 -0.8118248000000002 ] [ -0.6509473000000001 -0.25511510000000004 -0.8640844000000002 ] [ 2.2991230000000002 -1.5127848000000004 1.7591283000000004 ] [ -1.6975262000000004 9.382056500000001 1.3302114000000003 ] [ -6.4232086000000015 -8.297703800000003 -0.08295670000000001 ] [ 1.0456575000000001 -0.9917532000000002 -2.0598261000000004 ] [ -0.7571121000000002 -1.3233536000000001 -10.593534600000002 ] [ -1.6657747000000005 -1.5559919000000004 9.742555900000001 ] [ -3.3031903000000007 0.9151849000000002 -2.1230552000000005 ] [ 0.21678270000000005 1.7900058000000005 -6.196797200000002 ] [ 1.3001328000000003 -1.4792098000000002 5.354325700000001 ] [ 3.298742200000001 -4.671111300000001 4.0484743000000005 ] [ 13.821256100000003 3.0661913000000007 3.368395500000001 ] [ 0.18077750000000004 3.8368526000000007 -1.9518867000000004 ] [ 2.5870135000000003 2.2280352000000003 1.0523375000000001 ] [ 0.43308990000000014 12.161689900000004 -1.7042407000000004 ] [ -0.22064510000000007 2.4798105000000006 -4.696047600000001 ] [ -1.4100495000000002 -1.7885843000000003 2.4152932000000003 ] [ -1.1128492000000003 -0.07179790000000001 4.2213289000000005 ] [ -0.9557431000000002 0.4740464000000001 -0.4467735000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.947033903442275e-09 -7.426319251807634e-09 -2.920910597502426e-10 ] [ 5.671249785542955e-09 -4.071308187947384e-09 -4.4641769109992455e-08 ] [ 1.4620778230284652e-09 1.5137802232253086e-09 4.708859211670568e-08 ] [ -6.563470069702539e-09 1.5701122730237584e-09 4.02749218179608e-09 ] [ 5.859753396763235e-09 1.4781867477773546e-08 -3.292092626137089e-09 ] [ 1.3287897047104005e-09 6.601681181335121e-09 -1.711688835591897e-08 ] [ -8.23271574021374e-10 7.48448659494033e-09 1.3360506570633242e-08 ] [ -3.932125982228161e-11 1.750362591749314e-09 2.0813227770757234e-09 ] [ -1.121617691568416e-09 -9.077272711470794e-10 -2.246719748815156e-08 ] [ -2.9006550794070817e-09 -2.4526651835914495e-09 2.3593658239249233e-08 ] [ -4.133571495644902e-09 -1.2518897123729757e-08 4.726767941541261e-09 ] [ -3.980213711721037e-10 2.382800348853919e-10 -2.1662322106241777e-09 ] [ -1.9826243705444116e-09 1.17912990467547e-10 -7.533624871652121e-09 ] [ -1.6818722643460918e-09 -3.3582173397402104e-09 5.3553507014468e-09 ] [ -7.733584366240827e-09 4.9566802885202625e-09 2.4038853137926856e-09 ] [ -3.2641836704787897e-09 -1.0426455881684727e-08 -2.1429561089207524e-10 ] [ -3.0916433461513686e-09 2.1740575617399605e-11 -4.416806844486037e-09 ] [ -5.748986274300991e-10 2.0289229493900996e-09 -1.4233490481254366e-09 ] [ 3.959958994714009e-10 -4.520066647894346e-09 3.208529181178858e-09 ] [ -7.425816168344557e-09 -9.522330784263869e-09 5.6555623934664715e-09 ] [ 4.5389583932388307e-10 -6.965345316550067e-09 3.4576793436552863e-09 ] [ -3.317745076224063e-09 5.5485116799244535e-09 -4.175792855392388e-09 ] [ -5.567471998428873e-09 3.7777506559240425e-09 2.714445464691363e-09 ] [ -2.4432144242804737e-09 -8.825554259850064e-09 -1.5705176237121604e-09 ] [ -7.581668701505225e-09 7.515174045317314e-09 -1.867891540477691e-09 ] [ -6.045222325221056e-10 -5.9228435878215606e-09 -1.0645832475336204e-09 ] [ 3.564916710775165e-10 -2.05461481302227e-09 9.729063801008138e-10 ] [ -1.4061674661200841e-08 5.3779942638151215e-09 -1.356678953596102e-09 ] [ -1.604186933087979e-08 -8.90271348436687e-09 -1.2094342746192634e-09 ] [ 6.24037096403085e-09 -9.954563753537102e-10 -1.3350303429174939e-09 ] [ 9.091827524884704e-09 3.6978845539840925e-09 6.273966685433869e-10 ] [ 5.246048449081022e-09 -9.92528621859804e-09 -1.7994069809103512e-09 ] [ 4.972212910333903e-09 9.818736185254148e-09 -5.810483260914467e-09 ] [ -4.8689612780264265e-09 1.8589364946172751e-09 6.010085309896128e-09 ] [ -1.973524327698618e-09 6.65342203377118e-09 5.087994845660566e-09 ] [ 8.483343590199706e-09 8.011900872597917e-09 -1.6035746933308285e-09 ] [ 1.7750511723732736e-09 -8.490370096045776e-09 -1.4119280922076312e-09 ] [ -1.2331075559102571e-09 -2.0941594162673314e-09 -3.033371861537462e-09 ] [ 1.105847466959954e-09 -6.024326737560427e-09 1.633782612241255e-09 ] [ 8.755577272748153e-09 6.036412596781343e-09 1.8682741402578904e-10 ] [ -1.5045565243869032e-08 4.664553340013417e-09 -7.134192623736117e-09 ] [ 4.939485248231184e-09 -2.7457342119590856e-09 -2.150109475112703e-08 ] [ -1.5077014048582492e-09 1.4149296099137667e-09 2.103824466703105e-08 ] [ 1.4679218744533446e-08 -2.446239013330139e-09 2.3858279820391883e-09 ] [ 1.9025255204048412e-08 -7.895064384610756e-09 -1.3006867254617235e-09 ] [ -1.0429325540253884e-09 -4.0873945220057346e-10 -1.38441583548391e-09 ] [ 3.6836011492919825e-09 -2.423748458830364e-09 2.8184342584681427e-09 ] [ -2.7197368132428115e-09 1.503171170316782e-08 2.131233623360428e-09 ] [ -1.0291114734227855e-08 -1.3294387144213013e-08 -1.3291128637374782e-10 ] [ 1.6753280136668551e-09 -1.5889638037347292e-09 -3.3002052475233483e-09 ] [ -1.2130273159386718e-09 -2.1202462164397825e-09 -1.697271360759054e-08 ] [ -2.6688653018483606e-09 -2.4929738648732653e-09 1.5609295418418843e-08 ] [ -5.292294316315452e-09 1.466287862569627e-09 -3.4015094341321976e-09 ] [ 3.473241765954319e-10 2.867905467484478e-09 -9.928363679476628e-09 ] [ 2.0830423932569955e-09 -2.3699553783438137e-09 8.578575527365696e-09 ] [ 5.2851676744297565e-09 -7.483945379673365e-09 6.486370926809507e-09 ] [ 2.214409357594997e-08 4.912580056234086e-09 5.396764564170748e-09 ] [ 2.8963748645293505e-10 6.14731558382215e-09 -3.1272672629553686e-09 ] [ 4.144852581542559e-09 3.569705937169517e-09 1.6860305535819751e-09 ] [ 6.938865182013969e-10 1.9485175387733803e-08 -2.7304946282518045e-09 ] [ -3.535124236265935e-10 3.973094439847858e-09 -7.52389773687178e-09 ] [ -2.2591483616833834e-09 -2.8656279733992466e-09 3.869726329299089e-09 ] [ -1.7829809854055933e-09 -1.1503291775026862e-10 6.763314528008924e-09 ] [ -1.5312692629267257e-09 7.595060655118177e-10 -7.158100623903991e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -194.76366 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.120457852043204e-17 } }