{ "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" [ [ -0.27845320000000007 -0.5204880000000001 -1.8688884000000003 ] [ 2.2898165000000006 0.8484966000000003 -4.5981779000000005 ] [ 2.8706656000000006 -0.5763923000000001 9.543930400000002 ] [ -0.12415820000000002 -1.7401232000000004 3.522493800000001 ] [ -1.5320008000000005 -2.2505955000000006 5.506192900000001 ] [ -2.6811620000000005 6.925572300000002 -13.465502200000003 ] [ -0.7711839000000003 1.7792433000000005 1.4914250000000002 ] [ 0.8191303000000002 -2.4828511000000004 -0.18703450000000002 ] [ 1.9667732000000004 -0.7928268000000003 -4.363454800000001 ] [ -0.24523950000000005 -3.130148000000001 4.3729301000000005 ] [ 2.0315667000000004 -0.38678810000000013 1.1143949000000002 ] [ -0.08729390000000001 0.5851838000000001 0.24315610000000004 ] [ -0.8680963000000003 0.6732598000000001 -2.3728518000000003 ] [ 0.22168580000000004 -0.6677505000000001 0.13369050000000002 ] [ 0.9422695000000002 2.1337684000000006 0.9278228000000002 ] [ -0.22840990000000005 -0.6242914000000002 0.28546930000000004 ] [ 0.7682015000000002 -0.4430369000000001 -2.3608738000000002 ] [ -1.4505545000000002 0.4584334000000001 0.8834174000000002 ] [ -1.5482753000000005 -0.09576380000000002 0.6144365000000002 ] [ -0.7404469000000001 -0.29487040000000003 2.3455944000000004 ] [ 0.14197580000000004 -0.9114153000000003 3.440470200000001 ] [ 0.9644739000000002 -1.4679208000000001 -2.9710551000000005 ] [ 1.4961996000000002 -1.4530897000000003 2.8196412000000004 ] [ -1.7946285000000004 -0.10911460000000003 -2.6714377000000002 ] [ -3.9726847000000007 -0.4668866000000001 -1.0437338000000003 ] [ -0.17657100000000003 1.1551768000000002 0.41911130000000013 ] [ -1.1860561000000003 0.16068500000000002 2.6094365000000006 ] [ -1.3489617000000003 2.3514138000000004 -1.5736182000000005 ] [ -0.7664536000000002 2.5995978000000006 -0.6428190000000001 ] [ -1.6962753000000004 0.029958300000000007 0.43891570000000013 ] [ 1.1472228000000002 -1.5063729000000003 0.32684750000000007 ] [ 2.0128848000000006 -1.0052880000000002 -1.0257992000000002 ] [ 0.8950693000000002 -1.5033622000000004 0.0028493000000000004 ] [ 1.3090698000000003 2.0903881000000006 0.24577100000000004 ] [ -0.5248447000000002 0.18743960000000004 1.1878734000000002 ] [ 1.9019844000000004 -0.26645860000000005 -1.9965939000000004 ] [ 1.1752201000000002 0.33897830000000007 -0.35437530000000006 ] [ 1.6802244000000004 -2.2576940000000003 -2.0760188000000004 ] [ -0.14838410000000002 1.0500565000000002 0.8665415000000002 ] [ 1.6706804000000004 -2.3616923000000005 -0.03173900000000001 ] [ -0.16222690000000003 0.12603020000000004 -1.5690354000000004 ] [ 4.007914100000001 -0.26062120000000005 -0.8672021000000002 ] [ -0.32041840000000005 -2.9468803000000006 0.2510238000000001 ] [ 4.506964300000001 8.641778000000002 -0.26692950000000004 ] [ 3.236753300000001 1.1972916000000002 -0.4489239000000001 ] [ -1.4506265000000003 0.33487690000000003 -0.5314416000000001 ] [ -3.136340800000001 1.0864462000000001 1.9920536000000004 ] [ -0.9824720000000002 3.777275000000001 -0.16594990000000004 ] [ -1.4291499000000003 -2.4106481000000004 -2.8054959000000004 ] [ -1.7993423000000004 1.0497596000000002 10.111602200000002 ] [ -0.8406054000000002 1.2123241000000002 -10.122864200000002 ] [ -1.2725646000000002 -0.5261827000000001 2.9139294000000002 ] [ 0.6277032000000001 -0.04324900000000001 -1.1190263000000003 ] [ -1.2516509000000002 1.8253383000000005 -0.4485869000000001 ] [ 1.4159704000000002 -0.6003575000000001 2.0005885000000005 ] [ 0.4659224000000001 1.1091978000000002 0.5925472000000002 ] [ 1.0397934000000002 1.1967928000000003 2.4882297000000007 ] [ -2.9519337000000005 -0.09005560000000001 -1.4516442000000003 ] [ -3.819516500000001 -1.6267282000000005 1.6375233000000005 ] [ 1.0803904000000002 2.6209941000000003 -1.4865224000000001 ] [ -0.6613242000000001 -0.4652172000000001 -2.2882253000000006 ] [ 1.4448045000000003 -0.28531960000000006 -2.1687502000000003 ] [ 2.8682056000000005 -3.649905800000001 10.567117600000001 ] [ -4.751230100000001 -7.325370200000002 -6.552455700000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.461312107025289e-10 -8.339137118773921e-10 -2.9942893260336463e-09 ] [ 3.6686904924476617e-09 1.3594414265484447e-09 -7.36709319035519e-09 ] [ 4.599313348347591e-09 -9.234822750775183e-10 1.5291062283402276e-08 ] [ -1.9892336695949884e-10 -2.7879847313213097e-09 5.643657259769871e-09 ] [ -2.454535885029308e-09 -3.6058515226855482e-09 8.821893606676701e-09 ] [ -4.295695108368709e-09 1.1095990116137641e-08 -2.15741129899156e-08 ] [ -1.2355728250969931e-09 2.850662041461053e-09 2.3895262863634505e-09 ] [ 1.3123914268614104e-09 -3.977966018121198e-09 -2.9966230565187303e-10 ] [ 3.1511180654174095e-09 -1.2702485737689917e-09 -6.991025324075146e-09 ] [ -3.929169966338431e-10 -5.015049986561834e-09 7.006206428335284e-09 ] [ 3.2549286971524883e-09 -6.197028561292556e-10 1.7854574698287668e-09 ] [ -1.3986024687073262e-10 9.375678109553294e-10 3.895790218345675e-10 ] [ -1.3908436079218546e-09 1.0786811201715133e-09 -3.801727709904842e-09 ] [ 3.5517980884959726e-10 -1.0698542484418172e-09 2.1419579528777702e-10 ] [ 1.5096821758308634e-09 3.4186738728475666e-09 1.4865360106524554e-09 ] [ -3.659530047542767e-10 -1.000225093887148e-09 4.5737224218433625e-10 ] [ 1.2307944935037514e-09 -7.098233691797947e-10 -3.78253683818279e-09 ] [ -2.324044526243553e-09 7.344912817251758e-10 1.4153907163490319e-09 ] [ -2.480610508659341e-09 -1.5343052274304925e-10 9.844358033767412e-10 ] [ -1.1863267218977348e-09 -4.724344649382336e-10 3.75805654052125e-09 ] [ 2.2747030935345726e-10 -1.4602482975301006e-09 5.5122409644133085e-09 ] [ 1.5452575466828529e-09 -2.3518684063225872e-09 -4.760155059546534e-09 ] [ 2.3971760389201467e-09 -2.3281063644460702e-09 4.5175632469037216e-09 ] [ -2.8753118494104695e-09 -1.7482086254825646e-10 -4.280115062126702e-09 ] [ -6.364942600589301e-09 -7.480348012477046e-10 -1.6722459064760297e-09 ] [ -2.8289793044201405e-10 1.8507972770988916e-09 6.714903319053644e-10 ] [ -1.9002713700331677e-09 2.5744575243429004e-10 4.180778188206742e-09 ] [ -2.1612749159009184e-09 3.76738024722515e-09 -2.5212143108771396e-09 ] [ -1.2279940489651826e-09 4.165014852957806e-09 -1.0299095816912462e-09 ] [ -2.7177326504913406e-09 4.799848825436221e-11 7.03220478835754e-10 ] [ 1.8380535641520556e-09 -2.413475462470819e-09 5.236674273813151e-10 ] [ 3.224996993493764e-09 -1.6106489440405923e-09 -1.6435115094158932e-09 ] [ 1.4340591182707365e-09 -2.4086517892788357e-09 4.565081883256201e-12 ] [ 2.0973610458350536e-09 3.3491709698116563e-09 3.9376855351481406e-10 ] [ -8.408939148187401e-10 3.0031134740630647e-10 1.903183005630136e-09 ] [ 3.04731496391251e-09 -4.269137428483525e-10 -3.198896094166933e-09 ] [ 1.8829101840271437e-09 5.431031116930423e-10 -5.677718253267403e-10 ] [ 2.6920162735566704e-09 -3.6172245735219964e-09 -3.32614881310472e-09 ] [ -2.3773753787711944e-10 1.6823759886798213e-09 1.3883525436913113e-09 ] [ 2.6767250997617743e-09 -3.783848219757719e-09 -5.085148418652602e-11 ] [ -2.5991614858625464e-10 2.0192264161834685e-10 -2.513871855798844e-09 ] [ 6.421386322099141e-09 -4.175611969650409e-10 -1.3894109415757316e-09 ] [ -5.133668735836657e-10 -4.721422759854911e-09 4.021844669378893e-10 ] [ 7.220952891732167e-09 1.3845654787815255e-08 -4.2766820782530306e-10 ] [ 5.185850507282394e-09 1.918272625604475e-09 -7.192553830241527e-10 ] [ -2.3241598829612014e-09 5.365319444463547e-10 -8.514633138555745e-10 ] [ -5.024971946020869e-09 1.740678715738091e-09 3.1916217315955833e-09 ] [ -1.5740936819592484e-09 6.051861745192351e-09 -2.6588105219463666e-10 ] [ -2.289750576263437e-09 -3.862284058616496e-09 -4.494899977762801e-09 ] [ -2.8828641896278187e-09 1.6819003024371868e-09 1.6200572777142998e-08 ] [ -1.346798330294224e-09 1.9423573458550797e-09 -1.6218616490395106e-08 ] [ -2.038873267375557e-09 -8.43037627155032e-10 4.66862959780564e-09 ] [ 1.005691400127029e-09 -6.929253724386601e-11 -1.7928777906914746e-09 ] [ -2.005365825905071e-09 2.924514373405283e-09 -7.187154494984948e-10 ] [ 2.268634689315634e-09 -9.61878758546655e-10 3.2052961489491097e-09 ] [ 7.464899825372018e-10 1.7771307976442056e-09 9.493652783821252e-10 ] [ 1.665932689667416e-09 1.9174734598994356e-09 3.986583485364831e-09 ] [ -4.729519199257167e-09 -1.4428497808085043e-10 -2.3257904181216233e-09 ] [ -6.119540089477463e-09 -2.6063059119088798e-09 2.623601568890573e-09 ] [ 1.730976254477914e-09 4.19929550487186e-09 -2.381671455197602e-09 ] [ -1.059558180738743e-09 -7.453601275749049e-10 -3.666141108987641e-09 ] [ 2.3148320105980533e-09 -4.571323963422265e-10 -3.474720895422827e-09 ] [ 4.595371993827951e-09 -5.847793789061078e-09 1.693038890745016e-08 ] [ -7.612309848977485e-09 -1.173653696983991e-08 -1.0498191417860117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -222.76567833842782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.56909964690989e-17 } }