{ "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" [ 10.5985 0 0 ] "si-unit" "m" "si-value" [ 1.05985e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.17442 9.21161 0 ] "si-unit" "m" "si-value" [ -5.174419999999999e-10 9.211610000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42609 -0.00977198 10.5161 ] "si-unit" "m" "si-value" [ 4.260900000000001e-11 -9.77198e-13 1.05161e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0409135 0.0270498 -0.0137109 ] [ 0.0697032 0.0175591 2.25284 ] [ 0.277505 -0.17655 5.24147 ] [ 0.283837 0.183165 7.92422 ] [ -1.38584 2.22006 0.0637636 ] [ -1.44165 2.25941 2.39012 ] [ -1.12736 2.34287 5.18637 ] [ -1.05492 2.38642 7.64414 ] [ -2.59134 4.6557 0.203448 ] [ -2.92772 4.47634 2.70551 ] [ -2.1375 4.93704 5.12675 ] [ -2.13046 4.8652 8.11526 ] [ -3.99004 6.85303 -0.133988 ] [ -3.78891 6.91411 2.6135 ] [ -3.6247 7.07187 5.21436 ] [ -3.62522 6.9389 7.2731 ] [ 2.63698 -0.0276547 -0.331699 ] [ 2.96361 0.0445678 2.72422 ] [ 3.0463 0.19871 4.77384 ] [ 2.79404 0.0142487 7.659 ] [ 1.71679 2.36175 -0.129159 ] [ 1.43066 2.72908 2.58833 ] [ 1.51704 2.30626 5.09185 ] [ 1.70853 2.34379 7.42423 ] [ -0.0364367 4.65665 0.0585864 ] [ 0.0533651 4.69525 2.74201 ] [ 0.0881708 4.77505 4.97833 ] [ 0.137284 4.47206 7.85719 ] [ -1.37326 7.01402 0.0996914 ] [ -0.842078 7.04042 2.52433 ] [ -1.13498 6.88054 5.16228 ] [ -0.949151 6.937 7.79374 ] [ 5.27744 -0.162719 0.0778446 ] [ 5.20808 -0.151178 2.28577 ] [ 5.48132 -0.133552 5.25721 ] [ 5.82526 -0.10526 7.32915 ] [ 3.92699 2.1966 -0.074901 ] [ 4.22855 2.14096 2.19375 ] [ 4.22017 2.35458 5.06192 ] [ 4.1739 2.27154 7.91774 ] [ 2.73094 4.26896 0.00598178 ] [ 2.86015 4.46897 2.37159 ] [ 2.89736 4.58166 5.13349 ] [ 2.93322 4.58862 7.59919 ] [ 1.45551 6.80239 0.0908878 ] [ 1.44936 6.84223 2.17558 ] [ 1.60997 6.77704 5.13725 ] [ 1.38958 6.77665 7.18225 ] [ 7.98923 -0.115709 0.19275 ] [ 8.00431 -0.0739984 2.34674 ] [ 7.97935 0.183172 5.09188 ] [ 8.28623 -0.14939 7.49211 ] [ 6.65857 2.20273 -0.375537 ] [ 6.66397 2.21593 2.22235 ] [ 6.42619 1.91796 4.90976 ] [ 6.79927 2.23613 7.1125 ] [ 5.37298 4.30803 -0.158896 ] [ 5.30982 4.45782 2.40261 ] [ 5.33833 4.33365 5.26997 ] [ 5.4853 4.82883 7.81351 ] [ 3.89373 6.64187 -0.641858 ] [ 4.11705 6.87282 2.36072 ] [ 4.20715 6.86242 4.90565 ] [ 4.28423 6.87173 7.49915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.09135e-12 2.70498e-12 -1.37109e-12 ] [ 6.970320000000001e-12 1.7559100000000001e-12 2.25284e-10 ] [ 2.7750500000000002e-11 -1.7655000000000003e-11 5.24147e-10 ] [ 2.8383700000000003e-11 1.83165e-11 7.924220000000001e-10 ] [ -1.38584e-10 2.2200600000000003e-10 6.3763600000000005e-12 ] [ -1.4416500000000001e-10 2.25941e-10 2.39012e-10 ] [ -1.12736e-10 2.34287e-10 5.186370000000001e-10 ] [ -1.0549200000000001e-10 2.3864200000000003e-10 7.644140000000001e-10 ] [ -2.5913400000000005e-10 4.655700000000001e-10 2.03448e-11 ] [ -2.92772e-10 4.4763400000000007e-10 2.70551e-10 ] [ -2.1375000000000004e-10 4.93704e-10 5.126750000000001e-10 ] [ -2.13046e-10 4.8652e-10 8.11526e-10 ] [ -3.99004e-10 6.85303e-10 -1.33988e-11 ] [ -3.7889100000000003e-10 6.91411e-10 2.6135000000000003e-10 ] [ -3.6247e-10 7.07187e-10 5.214360000000001e-10 ] [ -3.62522e-10 6.938900000000001e-10 7.2731e-10 ] [ 2.63698e-10 -2.7654700000000003e-12 -3.31699e-11 ] [ 2.96361e-10 4.45678e-12 2.72422e-10 ] [ 3.0463e-10 1.9871e-11 4.77384e-10 ] [ 2.79404e-10 1.42487e-12 7.659e-10 ] [ 1.71679e-10 2.3617499999999996e-10 -1.29159e-11 ] [ 1.4306600000000002e-10 2.72908e-10 2.58833e-10 ] [ 1.51704e-10 2.30626e-10 5.09185e-10 ] [ 1.70853e-10 2.34379e-10 7.42423e-10 ] [ -3.64367e-12 4.65665e-10 5.85864e-12 ] [ 5.33651e-12 4.69525e-10 2.74201e-10 ] [ 8.81708e-12 4.77505e-10 4.97833e-10 ] [ 1.37284e-11 4.47206e-10 7.85719e-10 ] [ -1.37326e-10 7.014020000000001e-10 9.96914e-12 ] [ -8.420780000000001e-11 7.04042e-10 2.52433e-10 ] [ -1.1349800000000002e-10 6.880540000000001e-10 5.16228e-10 ] [ -9.49151e-11 6.937000000000001e-10 7.79374e-10 ] [ 5.27744e-10 -1.62719e-11 7.78446e-12 ] [ 5.20808e-10 -1.5117800000000002e-11 2.28577e-10 ] [ 5.481320000000001e-10 -1.3355200000000001e-11 5.25721e-10 ] [ 5.82526e-10 -1.0526000000000001e-11 7.32915e-10 ] [ 3.92699e-10 2.1966000000000002e-10 -7.4901e-12 ] [ 4.2285500000000004e-10 2.1409600000000003e-10 2.19375e-10 ] [ 4.2201700000000003e-10 2.35458e-10 5.06192e-10 ] [ 4.1739e-10 2.27154e-10 7.917740000000001e-10 ] [ 2.73094e-10 4.26896e-10 5.98178e-13 ] [ 2.86015e-10 4.46897e-10 2.37159e-10 ] [ 2.89736e-10 4.5816600000000005e-10 5.13349e-10 ] [ 2.93322e-10 4.5886199999999997e-10 7.59919e-10 ] [ 1.45551e-10 6.80239e-10 9.088780000000001e-12 ] [ 1.44936e-10 6.84223e-10 2.17558e-10 ] [ 1.6099699999999999e-10 6.777040000000001e-10 5.13725e-10 ] [ 1.38958e-10 6.776650000000001e-10 7.18225e-10 ] [ 7.98923e-10 -1.1570900000000001e-11 1.9275000000000003e-11 ] [ 8.00431e-10 -7.399840000000001e-12 2.34674e-10 ] [ 7.97935e-10 1.83172e-11 5.09188e-10 ] [ 8.28623e-10 -1.4939e-11 7.49211e-10 ] [ 6.65857e-10 2.20273e-10 -3.7553700000000005e-11 ] [ 6.66397e-10 2.2159300000000003e-10 2.22235e-10 ] [ 6.42619e-10 1.9179600000000002e-10 4.909760000000001e-10 ] [ 6.79927e-10 2.2361300000000002e-10 7.1125e-10 ] [ 5.37298e-10 4.30803e-10 -1.58896e-11 ] [ 5.309820000000001e-10 4.45782e-10 2.40261e-10 ] [ 5.33833e-10 4.33365e-10 5.26997e-10 ] [ 5.4853e-10 4.82883e-10 7.81351e-10 ] [ 3.8937300000000005e-10 6.64187e-10 -6.41858e-11 ] [ 4.1170500000000003e-10 6.87282e-10 2.36072e-10 ] [ 4.2071500000000003e-10 6.86242e-10 4.90565e-10 ] [ 4.2842300000000003e-10 6.87173e-10 7.499150000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.28387840000000003 0.15966850000000002 1.2971465000000002 ] [ -0.5040268000000001 -0.7838435000000002 -1.6737413000000005 ] [ 0.31035380000000007 -1.0718936000000001 0.4815654000000001 ] [ 0.22514860000000006 0.22192950000000006 -0.4019390000000001 ] [ -0.03248270000000001 0.07944680000000001 1.4004751000000002 ] [ -0.9117710000000002 0.29000220000000004 -0.8273988000000002 ] [ 0.5450116000000002 -0.22221100000000005 -0.06359540000000001 ] [ -0.24894350000000007 0.9887360000000002 -0.9718575000000003 ] [ 0.21264530000000006 -0.32881640000000006 0.28117640000000005 ] [ -0.6007762000000001 -0.27694710000000006 -0.05052300000000001 ] [ 3.905974100000001 3.385152300000001 -0.6539324000000001 ] [ 0.7808374000000002 0.34057870000000007 -0.4844045000000001 ] [ 0.23304860000000005 0.21018290000000006 -0.5203149000000001 ] [ -0.13543730000000004 0.28670920000000005 0.5927730000000001 ] [ -0.5519757000000001 0.27903520000000004 4.358522000000001 ] [ 1.3681652000000002 -0.11500650000000003 -4.051090500000001 ] [ 0.12927560000000002 -0.12021670000000002 0.5735538000000001 ] [ 1.4232076000000002 0.9237489000000002 3.903635200000001 ] [ 0.29540000000000005 0.21369210000000005 -4.708003100000001 ] [ -0.5121785000000001 0.23919190000000007 0.07090880000000001 ] [ 3.8907255000000007 2.1794334000000006 0.6680336000000001 ] [ 1.1060141000000001 1.7309832000000005 -0.03391940000000001 ] [ 0.11034150000000002 0.34892180000000006 0.9267846000000002 ] [ 0.6981075000000001 -0.031003500000000007 -0.6101452000000002 ] [ -0.5397757000000001 0.4508423000000001 0.31356760000000006 ] [ -0.6438253000000002 -0.32112110000000005 2.0828121000000004 ] [ -2.2158493000000004 0.8840651000000003 -1.4759668000000001 ] [ -1.1074516000000003 0.7483702000000001 -0.7421705000000001 ] [ 0.4537574000000001 0.07411210000000001 0.038334900000000005 ] [ 2.3037023000000003 1.4388043000000001 -0.9790104000000002 ] [ -1.2219543000000002 -3.1525022000000007 0.23274230000000007 ] [ 0.5440253000000002 -0.4047254000000001 -0.4607420000000001 ] [ -0.12792530000000002 -1.3623175000000003 1.8532959000000004 ] [ -2.0022723000000004 -1.7115966000000005 -1.5006443000000005 ] [ 1.5461373000000005 0.5075340000000002 3.621482200000001 ] [ 0.6375945000000001 -0.39623760000000013 -3.9887471000000008 ] [ -1.8284749000000005 1.0786748000000002 0.8386646000000002 ] [ 0.5762692000000001 0.4972825000000001 -2.0181543000000004 ] [ 2.3361799000000003 0.5922507000000001 0.03370510000000001 ] [ -0.6902135000000001 -0.10293930000000003 0.37104280000000006 ] [ 0.23379430000000007 -2.9359782000000005 0.08015990000000002 ] [ -0.024557600000000006 -1.9467245000000004 -1.3365289000000002 ] [ 0.39195590000000013 0.5460825000000001 0.4538248000000001 ] [ 0.6946907000000001 -0.7768609000000002 0.13949340000000002 ] [ -1.0614103000000001 0.9480136000000002 3.5771607000000007 ] [ -1.5459493000000004 0.5827294000000001 -4.210313500000001 ] [ 0.06560380000000002 0.09910190000000003 5.913692800000001 ] [ -1.4666755000000002 0.18985140000000006 -4.845948900000001 ] [ -0.32879420000000004 -0.0018338000000000013 3.5492201000000008 ] [ 0.9285571000000002 0.30338250000000005 -3.564739100000001 ] [ -1.6547570000000005 0.4194962000000001 0.9378273000000003 ] [ 0.12558300000000003 0.27711070000000004 -0.5682694000000001 ] [ -0.6420323000000001 0.6910325000000002 1.7637477000000004 ] [ -0.4838037000000001 1.1062272000000002 -0.18939550000000005 ] [ -1.6940071000000005 -1.9250683000000004 3.323226800000001 ] [ -0.3847874000000001 -2.5057398000000006 -3.377015200000001 ] [ -0.3806943000000001 -1.2154706000000002 0.5114869000000001 ] [ 0.2834034000000001 -0.8628693000000002 -0.8374022000000002 ] [ -1.1791313000000003 -1.2425826000000002 -0.17233300000000001 ] [ -1.1175081000000002 1.5062479000000004 0.5539057000000001 ] [ -0.8612152000000002 -0.42160920000000013 -0.27483110000000005 ] [ -0.10848490000000002 0.041263100000000004 0.6801344000000001 ] [ -0.21855170000000004 0.0049475000000000005 -0.060144900000000015 ] [ 0.3883047000000001 -0.6287205000000001 0.22911980000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.5482333937730565e-10 2.5581713988582905e-10 2.0782578131748815e-09 ] [ -8.075399618697913e-10 -1.2558557404127793e-09 -2.6816292022207853e-09 ] [ 4.972416066331093e-10 -1.7173628800541427e-09 7.715528316228637e-10 ] [ 3.607278260978125e-10 3.555702592953031e-10 -6.439772740933261e-10 ] [ -5.204302294923182e-11 1.2728780660607122e-10 2.2438084817188137e-09 ] [ -1.4608181917588144e-09 4.6463474864859485e-10 -1.3256390243596395e-09 ] [ 8.732048507789547e-10 -3.560212720177741e-10 -1.0189106390988361e-10 ] [ -3.988514588861791e-10 1.5841297163946243e-09 -1.5570873780776554e-09 ] [ 3.406953309899203e-10 -5.268219529559977e-10 4.504942581122377e-10 ] [ -9.62549589903311e-10 -4.437181724740615e-10 -8.094677007958202e-11 ] [ 6.258060436029181e-09 5.4236119175913596e-09 -1.0477152114955417e-09 ] [ 1.2510394372333119e-09 5.456672351780959e-10 -7.761015713044532e-10 ] [ 3.7338502150641246e-10 3.367501312463587e-10 -8.336363751020468e-10 ] [ -2.1699447743204826e-10 4.593587809928329e-10 9.497270498660822e-10 ] [ -8.843625690757939e-10 4.4706367750351686e-10 6.983122107174949e-09 ] [ 2.192042314891937e-09 -1.8426072705812105e-10 -6.4905625413193784e-09 ] [ 2.0712234566633044e-10 -1.9260838775658783e-10 9.189344967019093e-10 ] [ 2.280229962051219e-09 1.480008903263203e-09 6.254313105099918e-09 ] [ 4.732829776836001e-10 3.423724894903915e-10 -7.543052559619567e-09 ] [ -8.206004251371692e-10 3.832276732220647e-10 1.1360842250497921e-10 ] [ 6.233629485407968e-09 3.4918372688391768e-09 1.0703078246469026e-09 ] [ 1.7720299478945397e-09 2.7733408368865495e-09 -5.4344870119299617e-11 ] [ 1.7678657306051102e-10 5.590343550532213e-10 1.4848726308710367e-09 ] [ 1.1184915245201552e-09 -4.967308327221901e-11 -9.775603827872572e-10 ] [ -8.64816014140994e-10 7.223289986788184e-10 5.023906818994584e-10 ] [ -1.0315218520380404e-09 -5.144927231043775e-10 3.337032879632472e-09 ] [ -3.550181972925257e-09 1.4164284461548738e-09 -2.3647595195197513e-09 ] [ -1.774333076805915e-09 1.199021248021907e-09 -1.1890882335440972e-09 ] [ 7.269995037845917e-10 1.1874067491667143e-10 6.14192810467266e-11 ] [ 3.6909379967520586e-09 2.3052186303587262e-09 -1.5685475873229939e-09 ] [ -1.9577866272758264e-09 -5.050865363473596e-09 3.728942748034183e-10 ] [ 8.716246239648405e-10 -6.484415790663039e-10 -7.381900667024282e-10 ] [ -2.0495892655744024e-10 -2.1826732665892954e-09 2.9693073868680015e-09 ] [ -3.207993893965439e-09 -2.742280079353845e-09 -2.404297233405287e-09 ] [ 2.477185055015849e-09 8.131591157605563e-10 5.802254161286916e-09 ] [ 1.0215390098669132e-09 -6.348426242322386e-10 -6.390677402555262e-09 ] [ -2.9295397606354873e-09 1.7282275602446234e-09 1.3436888258829568e-09 ] [ 9.23285047133873e-10 7.967344019971052e-10 -3.233439663266627e-09 ] [ 3.742972848600457e-09 9.48890233010144e-10 5.400152366663341e-11 ] [ -1.1058439421713592e-09 -1.6492694118031625e-10 5.944761043739353e-10 ] [ 3.745797646223863e-10 -4.7039556699733796e-09 1.2843031876377663e-10 ] [ -3.934561290711841e-11 -3.1189965067353337e-09 -2.141355374245723e-09 ] [ 6.279825845384408e-10 8.749206217363052e-10 7.271074904897234e-10 ] [ 1.1130172073971039e-09 -1.2446683818482108e-09 2.2349306607721562e-10 ] [ -1.7005667817469304e-09 1.5188852386342229e-09 5.731243289603085e-09 ] [ -2.476883845808657e-09 9.336354286248397e-10 -6.74566591151476e-09 ] [ 1.0510887546160923e-10 1.5877874856500465e-10 9.474780424814037e-09 ] [ -2.3498732157602673e-09 3.041754770121877e-10 -7.764066097138004e-09 ] [ -5.267863846347229e-10 -2.938071511429202e-12 5.686477513143144e-09 ] [ 1.4877124889548018e-09 4.860723526645051e-10 -5.711341692326191e-09 ] [ -2.6512130003479388e-09 6.721070096917909e-10 1.5025649867873086e-09 ] [ 2.0120614822762206e-10 4.4398028857138386e-10 -9.104679544971999e-10 ] [ -1.0286491493332785e-09 1.1071561248346052e-09 2.8258353532112425e-09 ] [ -7.75138983582746e-10 1.772371371735245e-09 -3.0344504468474707e-10 ] [ -2.714098593450102e-09 -3.084299449114103e-09 5.324396328442593e-09 ] [ -6.164973813376117e-10 -4.014637758443834e-09 -5.410574846102838e-09 ] [ -6.099395121569863e-10 -1.9473985946339608e-09 8.194923597770947e-10 ] [ 4.5406230547615573e-10 -1.3824690306559365e-09 -1.341666238100195e-09 ] [ -1.889176617278045e-09 -1.990836807534969e-09 -2.7610790586712203e-10 ] [ -1.7904453661257358e-09 2.413275190391569e-09 8.874547699794139e-10 ] [ -1.379818870285637e-09 -6.75492408919433e-10 -4.403279667165175e-10 ] [ -1.7381197192182664e-10 6.611077466640541e-11 1.0896954436596098e-09 ] [ -3.5015842706097785e-10 7.926768896715e-12 -9.636275343426663e-11 ] [ 6.2213271721238e-10 -1.0073212944167972e-09 3.670903899467533e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.68913718750008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.07715951534331e-18 } }