{ "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" [ 10.7214064 0 0 ] "si-unit" "m" "si-value" [ 1.07214064e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7214064 0 ] "si-unit" "m" "si-value" [ 0.0 1.07214064e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7214064 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07214064e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7474348000000001 1.3566484 2.4661654 ] [ 3.7930074 1.3823234 0.9870934000000001 ] [ 2.5737724 3.3474354 0.767949 ] [ 3.7648994 4.815169399999999 2.1499764 ] [ 3.0137604 1.4107964 3.2564374 ] [ 0.5088250000000001 4.2596834 4.134125399999999 ] [ 2.7813774 3.6322814 3.9277604 ] [ 0.1382832 0.7145773000000001 6.9015154 ] [ 3.6051934 2.2632784 7.5728604 ] [ 5.050567399999999 0.3277409 7.6820704 ] [ 1.4727124 3.5669994 7.2343724 ] [ 4.2625904 3.5307784 5.7049524 ] [ 0.3298107 0.8699519 9.351267400000001 ] [ 2.2715364 0.08912199999999999 10.4293864 ] [ 1.1090834 4.8451154 9.1114294 ] [ 0.404481 3.0790644 10.5059364 ] [ 3.3529054 4.6064704 9.7055254 ] [ 5.191814399999999 3.5385334 8.747705400000001 ] [ 2.2743714 6.6393214 1.9588384 ] [ 0.6296184 7.8485834 0.7798822000000001 ] [ 1.4862824 9.821246400000001 1.8076434 ] [ 3.5755814 8.5946914 1.9677864 ] [ 4.8230694 8.9096154 0.01598693 ] [ 1.9380714 7.1030964 4.2243454 ] [ 5.003666399999999 6.413360399999999 4.620546399999999 ] [ 2.3549014 10.2595364 4.5353794 ] [ 0.5440255 8.889372400000001 3.9173834 ] [ 3.8541014 8.486995400000001 4.2980374 ] [ 1.2484134 5.595097399999999 5.9667584 ] [ 3.6811044 5.7701274 6.6082494 ] [ 2.8084744 7.4203914 8.310435400000001 ] [ 0.3466802 7.253635399999999 9.118672400000001 ] [ 4.170744399999999 6.746182399999999 10.1490864 ] [ 3.5592224 9.6026504 8.8681414 ] [ 5.726261399999999 2.4390064 0.052592 ] [ 7.5030264 3.3028134 1.4234364 ] [ 6.095663399999999 5.180199399999999 1.6534804 ] [ 9.4898854 4.477316399999999 0.8527513 ] [ 7.3980934 2.5336164 3.6568184 ] [ 10.3650864 1.1276694 4.5652574 ] [ 8.3976124 0.3427561 3.6161054 ] [ 6.4005564 4.3829354 4.952165399999999 ] [ 9.3361484 3.1353254 4.908195399999999 ] [ 6.9100414 1.0669064 6.4257824 ] [ 6.6587564 4.8499854 7.2999014 ] [ 8.9032674 4.9671784 7.9166624 ] [ 9.893426400000001 2.8875254 7.189401399999999 ] [ 8.1441614 1.6540974 8.3060294 ] [ 6.4788484 0.6125187000000001 9.5588894 ] [ 6.9144514 8.092672400000001 0.6861008000000001 ] [ 9.6321404 8.1146384 2.3571034 ] [ 9.7212584 10.4966864 1.6817724 ] [ 8.0826594 5.921741399999999 4.085966399999999 ] [ 6.5297464 7.1545084 2.8795724 ] [ 10.0352464 5.7753134 2.7731444 ] [ 5.856280399999999 6.9785144 6.7980034 ] [ 8.022413400000001 7.4633084 5.8584324 ] [ 10.0644264 6.7508624 6.942254399999999 ] [ 7.434685399999999 9.742148400000001 5.3351684 ] [ 8.782833400000001 10.3404964 7.2453314 ] [ 6.4954374 6.1155304 10.2274864 ] [ 8.9429984 6.1047924 9.968206400000001 ] [ 9.8498584 9.5093244 9.231209400000001 ] [ 8.1046154 10.0100564 10.6967964 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.474348000000001e-11 1.3566484e-10 2.4661654e-10 ] [ 3.7930074e-10 1.3823234e-10 9.870934000000002e-11 ] [ 2.5737724e-10 3.3474354000000003e-10 7.67949e-11 ] [ 3.7648994e-10 4.815169399999999e-10 2.1499764e-10 ] [ 3.0137604e-10 1.4107964e-10 3.2564374e-10 ] [ 5.088250000000001e-11 4.2596834000000003e-10 4.1341253999999996e-10 ] [ 2.7813774000000005e-10 3.6322814000000003e-10 3.9277604e-10 ] [ 1.382832e-11 7.145773000000001e-11 6.901515400000001e-10 ] [ 3.6051934e-10 2.2632784e-10 7.5728604e-10 ] [ 5.0505674e-10 3.277409e-11 7.6820704e-10 ] [ 1.4727124000000002e-10 3.5669994e-10 7.2343724e-10 ] [ 4.2625904e-10 3.5307784000000003e-10 5.7049524e-10 ] [ 3.298107e-11 8.699519e-11 9.351267400000002e-10 ] [ 2.2715364000000002e-10 8.9122e-12 1.04293864e-09 ] [ 1.1090834e-10 4.8451154e-10 9.111429400000001e-10 ] [ 4.04481e-11 3.0790644000000004e-10 1.05059364e-09 ] [ 3.3529054e-10 4.6064704e-10 9.7055254e-10 ] [ 5.1918144e-10 3.5385334e-10 8.747705400000001e-10 ] [ 2.2743714000000002e-10 6.6393214e-10 1.9588384000000002e-10 ] [ 6.296184000000001e-11 7.848583400000001e-10 7.798822000000001e-11 ] [ 1.4862824e-10 9.821246400000001e-10 1.8076434e-10 ] [ 3.5755814e-10 8.5946914e-10 1.9677864e-10 ] [ 4.8230694e-10 8.9096154e-10 1.598693e-12 ] [ 1.9380714000000003e-10 7.1030964e-10 4.2243454e-10 ] [ 5.003666399999999e-10 6.413360399999999e-10 4.6205463999999996e-10 ] [ 2.3549014000000003e-10 1.02595364e-09 4.5353794000000004e-10 ] [ 5.4402550000000006e-11 8.889372400000001e-10 3.9173834e-10 ] [ 3.8541013999999997e-10 8.486995400000002e-10 4.2980374e-10 ] [ 1.2484134e-10 5.595097399999999e-10 5.9667584e-10 ] [ 3.6811044000000003e-10 5.7701274e-10 6.6082494e-10 ] [ 2.8084744000000004e-10 7.4203914e-10 8.310435400000001e-10 ] [ 3.466802e-11 7.2536354e-10 9.118672400000002e-10 ] [ 4.1707443999999997e-10 6.746182399999999e-10 1.0149086400000001e-09 ] [ 3.5592224e-10 9.6026504e-10 8.868141400000001e-10 ] [ 5.7262614e-10 2.4390064e-10 5.2592e-12 ] [ 7.503026400000001e-10 3.3028134e-10 1.4234364e-10 ] [ 6.095663399999999e-10 5.1801994e-10 1.6534804e-10 ] [ 9.489885400000002e-10 4.4773164e-10 8.527513000000001e-11 ] [ 7.3980934e-10 2.5336164e-10 3.6568184000000005e-10 ] [ 1.03650864e-09 1.1276694e-10 4.5652574e-10 ] [ 8.3976124e-10 3.427561e-11 3.6161054e-10 ] [ 6.400556400000001e-10 4.3829354e-10 4.9521654e-10 ] [ 9.3361484e-10 3.1353254000000005e-10 4.9081954e-10 ] [ 6.9100414e-10 1.0669063999999999e-10 6.4257824e-10 ] [ 6.6587564e-10 4.8499854e-10 7.299901400000001e-10 ] [ 8.903267400000001e-10 4.9671784e-10 7.9166624e-10 ] [ 9.893426400000002e-10 2.8875254e-10 7.189401399999999e-10 ] [ 8.1441614e-10 1.6540974e-10 8.3060294e-10 ] [ 6.478848400000001e-10 6.125187000000001e-11 9.558889400000001e-10 ] [ 6.9144514e-10 8.092672400000002e-10 6.861008e-11 ] [ 9.6321404e-10 8.114638400000001e-10 2.3571034e-10 ] [ 9.721258400000001e-10 1.04966864e-09 1.6817724000000002e-10 ] [ 8.0826594e-10 5.9217414e-10 4.0859663999999994e-10 ] [ 6.5297464e-10 7.154508400000001e-10 2.8795724e-10 ] [ 1.00352464e-09 5.7753134e-10 2.7731444000000003e-10 ] [ 5.856280399999999e-10 6.9785144e-10 6.7980034e-10 ] [ 8.022413400000002e-10 7.4633084e-10 5.8584324e-10 ] [ 1.00644264e-09 6.7508624e-10 6.942254399999998e-10 ] [ 7.434685399999999e-10 9.742148400000001e-10 5.3351684e-10 ] [ 8.782833400000002e-10 1.03404964e-09 7.245331400000001e-10 ] [ 6.4954374e-10 6.1155304e-10 1.02274864e-09 ] [ 8.942998400000001e-10 6.104792400000001e-10 9.968206400000002e-10 ] [ 9.8498584e-10 9.5093244e-10 9.231209400000002e-10 ] [ 8.1046154e-10 1.00100564e-09 1.06967964e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2560527 0.2763472 0.5241584 ] [ -0.2581865 0.1933102 0.2415991 ] [ 0.119097 -0.2784474 -0.094273 ] [ -0.2672039 0.2430521 0.09401 ] [ -0.2337382 -0.1039221 -0.4455175 ] [ -0.0487281 0.8904325 0.358475 ] [ 0.395965 -0.5805776 -0.1419483 ] [ -0.0901936 -0.2992752 -0.222346 ] [ 0.2968683 -0.0822786 -0.561353 ] [ -0.8441072 0.4510737 0.0897018 ] [ -0.0554113 -0.4236955 -0.1030301 ] [ -0.3166179 0.7592324 0.1128394 ] [ 0.5462042 0.4063359 0.2692548 ] [ -0.0376471 -0.1750784 -0.1177373 ] [ -0.2051606 0.3658727 -0.096499 ] [ -0.251315 -0.1880424 0.4713784 ] [ 0.2431154 0.5261093 0.1254864 ] [ 0.0566408 0.2506958 -0.0006429 ] [ 0.6053437 -0.3964221 -0.2752602 ] [ -0.197473 -0.5330565 -0.5701843 ] [ 1.0184548 0.1648581 -1.1623469 ] [ -0.230476 0.7990787 -0.2590446 ] [ 0.177933 0.3330468 0.7698294 ] [ -0.2251749 -0.5130755 0.3822571 ] [ -0.1010046 0.7854755 -0.6946126 ] [ 0.4441475 0.8261912 0.5681006 ] [ -0.9999638 -0.0006707 0.2550059 ] [ 0.5887413 -0.0348783 -0.0127253 ] [ -0.1637058 0.4784166 -0.3221108 ] [ -1.5196933 -0.1884636 0.3074441 ] [ -0.5933322 -0.2782782 0.2150323 ] [ 0.2297545 0.4149244 0.0844682 ] [ -0.0774359 -0.753614 -0.3563991 ] [ 0.221612 0.3663383 -0.1390019 ] [ 0.3377714 -0.6667554 -0.0319493 ] [ -0.3536091 -0.102384 0.5091313 ] [ -0.7775722 0.0205905 -0.3063172 ] [ -0.1607135 0.0741349 0.0683563 ] [ 0.1070384 0.2939396 -0.2717267 ] [ 0.9727037 -0.5775267 -0.4875806 ] [ -0.4783008 -0.5816785 0.1174595 ] [ 0.3242266 -1.0290215 0.1720422 ] [ 0.2289227 0.5516657 0.3937297 ] [ -1.9245279 0.7358182 -0.9068184 ] [ -0.0206952 -0.4177027 0.3556487 ] [ -0.2254747 -0.3858981 -0.1327737 ] [ -0.2942401 0.6497053 0.0979849 ] [ 0.5465151 0.6955966 0.2376076 ] [ 0.1172057 -0.0338797 0.6783567 ] [ 0.2287526 0.7358923 0.1571056 ] [ 0.1818597 0.1600365 -0.0097549 ] [ -1.7149829 -0.2740183 0.1402564 ] [ 0.1435019 0.2466778 0.1279495 ] [ 0.1899027 -0.2064788 -0.1161081 ] [ -0.2001223 -0.7175185 -0.4098795 ] [ 0.9564326 0.3239498 0.4208043 ] [ -0.0084099 0.3923258 0.026532 ] [ 0.4917573 -0.2228186 -0.0970969 ] [ 0.6861916 -0.5039733 -0.9734456 ] [ 2.1784534 -1.232064 0.5638075 ] [ 0.164223 -0.0854339 0.1559186 ] [ -0.0041819 -0.6488995 0.1251866 ] [ -0.2162885 -0.3772742 -0.1953435 ] [ 0.0402991 -0.5180223 0.2969086 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.1024164963271623e-10 4.427570230635418e-10 8.397943340759348e-10 ] [ -4.136603741061792e-10 3.0971708300217217e-10 3.870844296263213e-10 ] [ 1.908144290074176e-10 -4.4612191440254596e-10 -1.510419965726784e-10 ] [ -4.281078415665811e-10 3.8941239225634367e-10 1.50620624121408e-10 ] [ -3.744898794278746e-10 -1.6650155900443968e-10 -7.137977226572641e-10 ] [ -7.807102259600448e-11 1.426630133900496e-09 5.7434026414128e-10 ] [ 6.34405865655072e-10 -9.301878572801742e-10 -2.2742624762230464e-10 ] [ -1.4450607726578689e-10 -4.794917286252442e-10 -3.562375629283968e-10 ] [ 4.756354497166406e-10 -1.3182484931215487e-10 -8.993866526159425e-10 ] [ -1.3524088212889496e-09 7.22699736397753e-10 1.4371812680367745e-10 ] [ -8.877868938813504e-11 -6.788350244381664e-10 -1.650724174586861e-10 ] [ -5.072777971067923e-10 1.216424401033874e-09 1.8078864858509954e-10 ] [ 8.751155994227674e-10 6.510218791717268e-10 4.313937455981799e-10 ] [ -6.031730346091969e-11 -2.805065192870707e-10 -1.8863594945611586e-10 ] [ -3.2870351682930047e-10 5.861926861289722e-10 -1.546084417305792e-10 ] [ -4.0265101745635204e-10 -3.012771369991219e-10 7.552314520301107e-10 ] [ 3.8951381003644035e-10 8.429200204454535e-10 2.0105137630835712e-10 ] [ 9.074856554340864e-11 4.016589496927527e-10 -1.03003934951232e-12 ] [ 9.698675236885692e-10 -6.351382205884397e-10 -4.4101545707673217e-10 ] [ -3.163866238392384e-10 -8.540506618654753e-10 -9.135359550072134e-10 ] [ 1.63174446990154e-09 2.641317935695085e-10 -1.8622850284393556e-09 ] [ -3.692632588555008e-10 1.280265211319257e-09 -4.150352018644877e-10 ] [ 2.8508009266880643e-10 5.335997965922534e-10 1.2334026666844916e-09 ] [ -3.6076996037097796e-10 -8.220375708052705e-10 6.124433887548077e-10 ] [ -1.6182720871325568e-10 1.2584704823111904e-09 -1.112892068233102e-09 ] [ 7.11602740686768e-10 1.3237042249506971e-09 9.101974995824524e-10 ] [ -1.602118622006327e-09 -1.07457985957056e-12 4.0856449114606275e-10 ] [ 9.432675465593991e-10 -5.5881196833248645e-11 -2.0388178152666242e-11 ] [ -2.622856054493607e-10 7.665078915226254e-10 -5.160783930671846e-10 ] [ -2.4348170760464004e-09 -3.019519737918029e-10 4.925797492228973e-10 ] [ -9.506229792078298e-10 -4.4585082611830654e-10 3.445197237768519e-10 ] [ 3.6810728842359363e-10 6.647821730794676e-10 1.3533297524105856e-10 ] [ -1.2406598859060673e-10 -1.2074227319075713e-09 -5.710143056941613e-10 ] [ 3.550615652887296e-10 5.869386595636167e-10 -2.2270559442677955e-10 ] [ 5.411694402548851e-10 -1.0682599136721523e-09 -5.1188421510925443e-11 ] [ -5.665442329221293e-10 -1.640372511439872e-10 8.15718265777511e-10 ] [ -1.245807999824022e-09 3.29896177105824e-11 -4.907742563889178e-10 ] [ -2.574914123469408e-10 1.1877720356534592e-10 1.0951886574439104e-10 ] [ 1.7149442200783873e-10 4.709431550473037e-10 -4.3535416598713537e-10 ] [ 1.558443127105657e-09 -9.252997766277754e-10 -7.811902380756365e-10 ] [ -7.663223594699367e-10 -9.319516935220128e-10 1.881908647908576e-10 ] [ 5.194682783614732e-10 -1.6486741896005474e-09 2.756419906309978e-10 ] [ 3.667745979104122e-10 8.838658870372667e-10 6.308245202545978e-10 ] [ -3.0834336074573205e-09 1.1789107171991387e-09 -1.4528832397912628e-09 ] [ -3.3157365602780163e-11 -6.692335003850362e-10 5.698120323579129e-10 ] [ -3.612502929218938e-10 -6.182769138311405e-10 -2.1272691799711295e-10 ] [ -4.714246091218541e-10 1.0409426420698504e-09 1.5698911597142592e-10 ] [ 8.756137161341742e-10 1.1144686100279692e-09 3.806893416443981e-10 ] [ 1.8778423236449857e-10 -5.428126325971776e-11 1.0868472453030395e-09 ] [ 3.665020676672141e-10 1.17902943848674e-09 2.5171091931675653e-10 ] [ 2.913713596057018e-10 2.564067387746592e-10 -1.562907271824192e-11 ] [ -2.7477055074517844e-09 -4.3902571393136063e-10 2.2471552499757313e-10 ] [ 2.2991538922037951e-10 3.952214040303783e-10 2.049976975430496e-10 ] [ 3.042576661667962e-10 -3.30815506050839e-10 -1.860256833055085e-10 ] [ -3.206312703607239e-10 -1.1495913656914847e-09 -6.566993522451936e-10 ] [ 1.5323739510909581e-09 5.190247958728359e-10 6.742028113921095e-10 ] [ -1.347414516326592e-11 6.285752244966567e-10 4.2508950103065604e-11 ] [ 7.878820491677319e-10 -3.569947515993869e-10 -1.5556638313215552e-10 ] [ 1.0994001389093454e-09 -8.074542387674246e-10 -1.5596317819406286e-09 ] [ 3.490267106982271e-09 -1.9739841361293312e-09 9.03319195131696e-10 ] [ 2.631142511976384e-10 -1.3688019720376511e-10 2.498091356678669e-10 ] [ -6.70014241052352e-12 -1.0396516081488097e-09 2.005710437574413e-10 ] [ -3.465323780479008e-10 -6.044599028710234e-10 -3.129747887252448e-10 ] [ 6.456627585928127e-11 -8.299632181130439e-10 4.757000174344589e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -261.26332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.185899831765891e-17 } }