{ "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" [ [ 2.8625235000000004 -2.7121000000000004 -0.4341617000000001 ] [ 3.579299700000001 -3.519752600000001 -12.377877200000004 ] [ 2.5516037000000003 -2.7355791000000003 14.621498800000003 ] [ -2.9974645000000004 -0.32489740000000006 1.1223284000000002 ] [ 1.8122081000000005 5.422863600000001 -0.11120920000000002 ] [ 0.19099030000000006 7.048606900000002 -9.165647600000002 ] [ -0.8373185000000002 8.072586800000002 7.554778800000002 ] [ -0.04320530000000001 1.4963055000000003 -0.04828780000000001 ] [ -0.18296600000000002 -0.5078622000000002 -7.653687500000002 ] [ -0.8811702000000002 -2.4272017000000004 6.359153700000002 ] [ -1.3407389000000003 -7.492032000000002 0.7765816000000002 ] [ 0.3939720000000001 0.9581046000000002 1.5482567000000005 ] [ -0.18441340000000003 0.049714000000000015 -5.098545500000001 ] [ -1.6472015000000004 -1.7539751000000003 0.8233378000000002 ] [ -4.236275700000001 1.1792249000000001 2.3748480000000005 ] [ -2.8749797000000004 -3.588121400000001 1.0422439000000001 ] [ -3.338382000000001 -0.46588610000000014 0.6195795000000001 ] [ 1.7428032000000004 1.4850325000000002 -3.6998735000000007 ] [ 1.5408094000000006 -0.4680798000000001 3.974148600000001 ] [ -1.8215605000000004 -3.902687200000001 0.05812510000000001 ] [ -0.42577130000000013 -3.467013800000001 1.8604310000000004 ] [ -0.3868473000000001 3.185109300000001 -2.6456781000000005 ] [ -2.2583968000000003 2.6411488000000003 0.9908575000000002 ] [ -2.5602570000000004 -4.6621570000000006 -0.5892586000000001 ] [ -3.294017800000001 3.387330300000001 1.0208701000000002 ] [ -0.4920305000000001 -2.5334839000000002 -0.8213056000000002 ] [ -0.19609970000000004 -2.2935687000000002 0.24610800000000005 ] [ -7.079975700000002 2.7336008000000005 -0.9876990000000002 ] [ -5.087236000000001 -4.358076900000001 -2.4154351000000003 ] [ 3.359323100000001 -0.4890632000000001 -1.9240148000000004 ] [ 3.922201400000001 1.7741208000000004 1.2246430000000001 ] [ 2.0543920000000004 -3.483398600000001 1.9057609000000004 ] [ 2.7411110000000005 4.5055022000000005 -3.023729500000001 ] [ -2.0747638000000004 1.3391938000000003 1.9116097000000005 ] [ -1.0800151000000002 3.389628000000001 2.9787637000000005 ] [ 4.984986600000001 1.7542944000000005 -0.024473200000000007 ] [ 2.5098804000000006 -3.923819300000001 -0.22859400000000005 ] [ -0.9088319000000002 -0.7195610000000001 -0.5848343000000001 ] [ 1.6016025000000005 -4.071661500000001 0.23572980000000004 ] [ 3.086653600000001 0.30779110000000004 0.4327682000000001 ] [ -5.480138900000001 4.197882100000001 -1.2794013000000002 ] [ 1.0829256000000003 -2.1290115000000003 -7.167138200000002 ] [ -1.4315484000000003 0.5235540000000001 6.224307000000001 ] [ 6.181719300000002 2.1835511000000003 -0.37043180000000003 ] [ 7.2144001000000015 -2.9557890000000007 -2.3471753000000004 ] [ -0.34032490000000004 -0.16728410000000002 -2.3465299000000006 ] [ 1.9567386000000004 -0.9832516000000002 3.835180100000001 ] [ -0.6931650000000001 6.637574400000002 0.9516058000000002 ] [ -4.097301700000001 -6.198444800000002 -0.9096065000000002 ] [ -1.8198455000000004 -1.7272015000000005 -3.371168800000001 ] [ -1.5489197000000003 -2.4194402000000004 -1.7239763000000004 ] [ -1.8625455000000004 -1.9827684000000005 5.118677900000001 ] [ -1.9837024000000005 0.7573315000000003 -0.34654470000000004 ] [ -0.28378690000000006 1.6769900000000004 -4.774247100000001 ] [ -0.4505976000000001 0.6424670000000001 5.207260800000001 ] [ 1.9462297000000004 -3.301646600000001 1.1914426000000002 ] [ 7.669445400000002 0.6173275000000001 0.3996011000000001 ] [ 0.8568418000000002 3.015683100000001 -1.2783732000000003 ] [ 2.9549537000000003 2.8691769000000003 0.4922005000000001 ] [ 0.4406693000000001 7.315261500000002 0.8205888000000002 ] [ -1.6659533000000004 2.8790157000000005 -4.4405315000000005 ] [ -0.9509301000000002 -1.9203530000000004 -0.6396961000000001 ] [ -0.9129918000000002 -0.31470240000000005 4.636027500000001 ] [ 0.5133866000000001 -0.046101600000000006 0.26981790000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.58626822819059e-09 -4.345263213271681e-09 -6.956037253867836e-10 ] [ 5.734670298176455e-09 -5.639265326720015e-09 -1.9831545464973372e-08 ] [ 4.088119793686777e-09 -4.382880878369106e-09 2.342622353841526e-08 ] [ -4.802467543577962e-09 -5.205430184387061e-10 1.7981683233398711e-09 ] [ 2.9034774498443895e-09 8.688385277707326e-09 -1.781767802578714e-10 ] [ 3.060001934595783e-10 1.1293113184389567e-08 -1.4684986299211633e-08 ] [ -1.3415321248633252e-09 1.2933709840338689e-08 1.2104089968675483e-08 ] [ -6.922252155465025e-11 2.397345689674455e-09 -7.736558422986626e-11 ] [ -2.931438476012928e-10 -8.13684943428054e-10 -1.2262559175409203e-08 ] [ -1.4117902933856606e-09 -3.888805817706016e-09 1.018848738621382e-08 ] [ -2.1481005201771096e-09 -1.200355851268547e-08 1.2442208836634577e-09 ] [ 6.312127276498177e-10 1.5350527904009361e-09 2.48058068773696e-09 ] [ -2.9546283804223877e-10 7.965060852645122e-11 -8.168770400185048e-09 ] [ -2.639107733046692e-09 -2.810177898685343e-09 1.3191325741809067e-09 ] [ -6.787261885803157e-09 1.889326565445218e-09 3.80492594355364e-09 ] [ -4.606225260614598e-09 -5.748804219672167e-09 1.6698588097514133e-09 ] [ -5.348677591699547e-09 -7.464318173756911e-10 9.926757896269537e-10 ] [ 2.7922785416954273e-09 2.3792843526281764e-09 -5.92785082161747e-09 ] [ 2.4686487977888765e-09 -7.4994651222874e-10 6.367287974505053e-09 ] [ -2.918461646472759e-09 -6.252794190135415e-09 9.31266763016621e-11 ] [ -6.821608226676232e-10 -5.554768454350969e-09 2.9807390528115657e-09 ] [ -6.19797699879604e-10 5.103107655152655e-09 -4.238843597982566e-09 ] [ -3.618350553449534e-09 4.2315868594139756e-09 1.5875287210443363e-09 ] [ -4.1019839086395466e-09 -7.469598947899068e-09 -9.440963525253391e-10 ] [ -5.2775983076590526e-09 5.427101413587452e-09 1.6356142070937584e-09 ] [ -7.883197638205345e-10 -4.0590886737532054e-09 -1.3158766308521169e-09 ] [ -3.1418635468589385e-10 -3.6747021493386497e-09 3.943084837918465e-10 ] [ -1.1343371542372119e-08 4.379711292360177e-09 -1.5824682461875395e-09 ] [ -8.15065058369211e-09 -6.9824089208285416e-09 -3.869953646279711e-09 ] [ 5.382228932533382e-09 -7.835656251336347e-10 -3.0826115306331885e-09 ] [ 6.284059385149031e-09 2.8424548682349933e-09 1.9620943834263747e-09 ] [ 3.2914988323585546e-09 -5.581019797847453e-09 3.0533655588147675e-09 ] [ 4.3917439592177095e-09 7.218610289802966e-09 -4.844548712523275e-09 ] [ -3.3241380540421676e-09 2.1456249970803116e-09 3.062736369434503e-09 ] [ -1.7303749433309744e-09 5.430782734809064e-09 4.772505559027706e-09 ] [ 7.986828985521283e-09 2.8106894736803642e-09 -3.9210388876162575e-11 ] [ 4.021271697884154e-09 -6.286651546703823e-09 -3.662479624551553e-10 ] [ -1.456109222417244e-09 -1.1528638114394691e-09 -9.370078425019336e-10 ] [ 2.5660500813148327e-09 -6.523520863111461e-09 3.7768077438585993e-10 ] [ 4.945364234428156e-09 4.93135704510315e-10 6.933710922656987e-10 ] [ -8.780150424316632e-09 6.72574855749481e-09 -2.0498268514811272e-09 ] [ 1.735038078385813e-09 -3.4110524507143396e-09 -1.1483021262082598e-08 ] [ -2.2935933780236475e-09 8.388259785263233e-10 9.972439156081788e-09 ] [ 9.904206138808145e-09 3.4984345227421233e-09 -5.934971695608615e-10 ] [ 1.1558743173317185e-08 -4.7356960318178125e-09 -3.760589390579227e-09 ] [ -5.45260598256098e-10 -2.680186740515693e-10 -3.759555345788163e-09 ] [ 3.135040837936924e-09 -1.5753427258841937e-09 6.1446358927774075e-09 ] [ -1.1105727573568324e-09 1.0634566522500591e-08 1.524640564977681e-09 ] [ -6.564600992104097e-09 -9.931003343879335e-09 -1.4573502684277157e-09 ] [ -2.9157139135680873e-09 -2.767281862710692e-09 -5.401207836130393e-09 ] [ -2.4816429308365502e-09 -3.876370523863677e-09 -2.7621145226732876e-09 ] [ -2.984126855276247e-09 -3.1767451749410236e-09 8.201026060785642e-09 ] [ -3.178241607904851e-09 1.2133788234953957e-09 -5.552258164021498e-10 ] [ -4.5467673646930764e-10 2.6868341713153926e-09 -7.649187085542201e-09 ] [ -7.219369401085903e-10 1.0293456070355138e-09 8.342951512168307e-09 ] [ 3.1182037240465984e-09 -5.289820992663811e-09 1.9089014787451665e-09 ] [ 1.2287806114382107e-08 9.890676878769124e-10 6.402315400659631e-10 ] [ 1.3728118996841898e-09 4.83165695856167e-09 -2.0481796536972832e-09 ] [ 4.7343577336864576e-09 4.59692815011942e-09 7.885921338460706e-10 ] [ 7.060300499643016e-10 1.1720340950338342e-08 1.3147281906503274e-09 ] [ -2.6691514286046096e-09 4.612691645456148e-09 -7.114515753225956e-09 ] [ -1.5235579742350064e-09 -3.076744680283143e-09 -1.024906135836939e-09 ] [ -1.4627741169421098e-09 -5.0420882778965e-10 7.427734873885874e-09 ] [ 8.225360079520016e-10 -7.38629057014733e-11 4.322959312533524e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -227.20575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.640237407613296e-17 } }