{ "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" [ 10.7824 0 0 ] "si-unit" "m" "si-value" [ 1.07824e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.41408 9.22677 0 ] "si-unit" "m" "si-value" [ -5.414080000000001e-10 9.22677e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0173756 0.106927 10.4509 ] "si-unit" "m" "si-value" [ -1.73756e-12 1.06927e-11 1.04509e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.022405 -0.0239433 0.16433 ] [ 0.260737 0.140579 2.4466 ] [ 0.147565 0.251436 4.82021 ] [ 0.206283 0.259925 7.58885 ] [ -1.36313 2.25168 -0.353447 ] [ -1.23486 2.38439 2.54685 ] [ -1.46418 2.43005 5.21638 ] [ -1.26736 2.27954 7.45399 ] [ -2.66055 4.76033 0.19569 ] [ -2.95693 4.89047 2.78222 ] [ -2.77415 4.63832 5.09309 ] [ -2.63678 4.64143 7.78966 ] [ -3.95749 6.78637 0.00870698 ] [ -4.02481 6.83839 2.37719 ] [ -4.20455 6.79805 5.0455 ] [ -4.01224 6.89579 7.71526 ] [ 2.58289 -0.00350672 0.0590625 ] [ 2.58727 0.047262 2.33313 ] [ 2.56917 -0.145283 5.15607 ] [ 2.95603 0.183487 7.77408 ] [ 1.3007 2.27961 -0.0341976 ] [ 1.37212 2.34476 2.3577 ] [ 1.26947 2.40224 5.45421 ] [ 1.24688 2.57138 7.84226 ] [ -0.0259455 4.56684 -0.0529383 ] [ 0.00852674 4.5283 2.2772 ] [ 0.0329517 4.67703 5.51476 ] [ 0.083585 4.67736 7.70573 ] [ -1.43327 6.78933 0.31623 ] [ -1.27499 6.9924 2.37892 ] [ -1.24578 6.81888 4.93902 ] [ -1.34125 6.82828 7.8195 ] [ 5.33356 -0.00584066 -0.124625 ] [ 5.19031 0.2899 2.78732 ] [ 5.46026 0.422198 5.42526 ] [ 5.34763 0.146838 7.40277 ] [ 4.08231 2.57294 -0.173128 ] [ 3.9608 2.26866 2.20217 ] [ 4.17287 2.11979 4.93866 ] [ 3.85816 2.2977 7.98184 ] [ 2.36966 4.6883 -0.185466 ] [ 2.5877 4.53437 2.3207 ] [ 2.50877 4.59761 5.30107 ] [ 2.63557 4.60316 7.67272 ] [ 1.35054 7.05944 -0.213264 ] [ 1.52604 7.11907 2.5156 ] [ 1.29568 6.68366 5.46853 ] [ 1.25512 6.89463 7.27073 ] [ 7.73075 0.155819 -0.306346 ] [ 7.71489 -0.0373306 2.82209 ] [ 7.90931 0.155788 5.08832 ] [ 8.08011 0.395472 7.93708 ] [ 6.47511 2.45814 -0.137605 ] [ 6.62493 2.43981 2.11224 ] [ 6.87448 2.09649 5.23574 ] [ 6.57009 2.39906 7.79228 ] [ 5.23681 4.60255 -0.0919086 ] [ 5.13016 4.55956 2.14097 ] [ 5.02538 4.812 5.01824 ] [ 5.22903 4.66206 7.77896 ] [ 3.60579 6.85041 -0.100719 ] [ 4.14774 6.71666 2.86044 ] [ 3.8916 6.91923 5.14267 ] [ 3.72623 6.9091 7.66845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2405000000000004e-12 -2.39433e-12 1.6433e-11 ] [ 2.60737e-11 1.4057900000000002e-11 2.4466e-10 ] [ 1.47565e-11 2.51436e-11 4.820210000000001e-10 ] [ 2.0628300000000002e-11 2.5992500000000004e-11 7.58885e-10 ] [ -1.36313e-10 2.25168e-10 -3.53447e-11 ] [ -1.2348600000000002e-10 2.38439e-10 2.5468500000000004e-10 ] [ -1.46418e-10 2.4300500000000003e-10 5.216380000000001e-10 ] [ -1.26736e-10 2.27954e-10 7.45399e-10 ] [ -2.66055e-10 4.76033e-10 1.9569e-11 ] [ -2.95693e-10 4.89047e-10 2.78222e-10 ] [ -2.77415e-10 4.6383200000000006e-10 5.093090000000001e-10 ] [ -2.63678e-10 4.64143e-10 7.78966e-10 ] [ -3.95749e-10 6.78637e-10 8.70698e-13 ] [ -4.0248100000000005e-10 6.838390000000001e-10 2.37719e-10 ] [ -4.20455e-10 6.79805e-10 5.0455e-10 ] [ -4.01224e-10 6.89579e-10 7.71526e-10 ] [ 2.58289e-10 -3.50672e-13 5.90625e-12 ] [ 2.58727e-10 4.7262e-12 2.33313e-10 ] [ 2.56917e-10 -1.45283e-11 5.15607e-10 ] [ 2.95603e-10 1.8348700000000002e-11 7.77408e-10 ] [ 1.3007e-10 2.27961e-10 -3.4197600000000004e-12 ] [ 1.37212e-10 2.34476e-10 2.3577e-10 ] [ 1.26947e-10 2.40224e-10 5.45421e-10 ] [ 1.24688e-10 2.57138e-10 7.84226e-10 ] [ -2.59455e-12 4.56684e-10 -5.29383e-12 ] [ 8.52674e-13 4.5283e-10 2.2772000000000002e-10 ] [ 3.29517e-12 4.677030000000001e-10 5.51476e-10 ] [ 8.3585e-12 4.67736e-10 7.70573e-10 ] [ -1.43327e-10 6.78933e-10 3.1623e-11 ] [ -1.2749900000000002e-10 6.992400000000001e-10 2.37892e-10 ] [ -1.24578e-10 6.81888e-10 4.93902e-10 ] [ -1.3412500000000002e-10 6.828280000000001e-10 7.8195e-10 ] [ 5.333560000000001e-10 -5.840660000000001e-13 -1.24625e-11 ] [ 5.19031e-10 2.899e-11 2.78732e-10 ] [ 5.46026e-10 4.2219800000000005e-11 5.42526e-10 ] [ 5.347629999999999e-10 1.46838e-11 7.40277e-10 ] [ 4.08231e-10 2.5729400000000003e-10 -1.73128e-11 ] [ 3.9608e-10 2.2686600000000003e-10 2.2021700000000002e-10 ] [ 4.17287e-10 2.1197900000000002e-10 4.938659999999999e-10 ] [ 3.85816e-10 2.2977e-10 7.981840000000001e-10 ] [ 2.3696600000000003e-10 4.6883e-10 -1.85466e-11 ] [ 2.5877e-10 4.53437e-10 2.3207e-10 ] [ 2.5087700000000004e-10 4.597610000000001e-10 5.30107e-10 ] [ 2.63557e-10 4.60316e-10 7.67272e-10 ] [ 1.3505400000000002e-10 7.059440000000001e-10 -2.1326400000000002e-11 ] [ 1.52604e-10 7.119070000000001e-10 2.5156e-10 ] [ 1.29568e-10 6.68366e-10 5.468530000000001e-10 ] [ 1.25512e-10 6.89463e-10 7.270730000000001e-10 ] [ 7.730749999999999e-10 1.55819e-11 -3.06346e-11 ] [ 7.71489e-10 -3.73306e-12 2.8220900000000004e-10 ] [ 7.90931e-10 1.55788e-11 5.088320000000001e-10 ] [ 8.08011e-10 3.95472e-11 7.93708e-10 ] [ 6.47511e-10 2.4581400000000004e-10 -1.37605e-11 ] [ 6.62493e-10 2.4398100000000003e-10 2.11224e-10 ] [ 6.87448e-10 2.0964900000000004e-10 5.23574e-10 ] [ 6.570090000000001e-10 2.39906e-10 7.79228e-10 ] [ 5.23681e-10 4.6025500000000003e-10 -9.19086e-12 ] [ 5.13016e-10 4.5595600000000006e-10 2.14097e-10 ] [ 5.02538e-10 4.812000000000001e-10 5.01824e-10 ] [ 5.22903e-10 4.662060000000001e-10 7.77896e-10 ] [ 3.60579e-10 6.850410000000001e-10 -1.00719e-11 ] [ 4.14774e-10 6.71666e-10 2.86044e-10 ] [ 3.8916000000000003e-10 6.919230000000001e-10 5.14267e-10 ] [ 3.7262300000000003e-10 6.909099999999999e-10 7.668450000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9275596000000003 0.7933339000000003 10.985562200000002 ] [ 5.972902200000001 1.0015336000000001 0.3979356000000001 ] [ 3.3585551000000007 -1.0168179000000002 -11.232960600000002 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.4099199000000001 0.7067903000000001 -0.08856030000000001 ] [ -0.5135067000000001 -0.6131400000000001 7.745505100000002 ] [ -4.712511000000001 -4.787515300000001 -6.520692000000002 ] [ 0.31165600000000004 14.408350400000003 -0.41701680000000013 ] [ -2.4478285000000004 4.904615700000001 11.532554100000002 ] [ -0.8625939000000002 1.1374392000000002 -12.354811700000004 ] [ 0.0 0.0 0.0 ] [ 3.926026400000001 -6.398301000000002 11.016626100000002 ] [ 3.6692001000000007 -6.391008300000002 -9.540590100000001 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.28082460000000004 0.19254610000000005 9.084872800000001 ] [ -6.877938900000002 0.07337980000000001 -8.898858700000002 ] [ -2.8919707000000003 0.4738604000000001 -0.3989276000000001 ] [ 8.420262300000001 10.470644200000002 0.3456427000000001 ] [ 0.3906772000000001 0.35781340000000006 13.039062900000003 ] [ -1.1606092000000001 -1.8756492000000005 -12.976686500000003 ] [ -0.10511110000000003 0.8401628000000002 12.221649900000003 ] [ -1.4006776000000003 8.111336400000003 -12.771098000000004 ] [ 10.563413100000002 0.29136460000000003 13.563464600000003 ] [ -0.6867316000000001 -0.47786260000000014 -13.977311600000004 ] [ 1.7877820000000004 1.9567262000000005 -0.8509593000000002 ] [ 3.354076900000001 -6.462536100000002 0.9687825000000002 ] [ -4.891939900000001 -8.087669900000002 -2.4289436000000006 ] [ 0.29547970000000007 0.4265739000000001 2.1921820000000003 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 9.251649300000002 0.6195246000000001 -0.6129218000000001 ] [ -6.102358900000001 9.815992200000002 -2.8795252000000002 ] [ -1.8320784000000006 -0.8783045000000003 -3.488454400000001 ] [ -4.354450700000001 -1.6873783000000004 5.845795700000001 ] [ 5.5696029000000005 2.3614317000000002 -0.8582598000000002 ] [ 6.545194900000002 -8.670153300000003 -6.605015300000002 ] [ -1.3630443000000003 1.0647112000000003 -0.9302798000000002 ] [ -3.819167000000001 -9.093466600000001 9.251685500000002 ] [ -9.992126000000003 -0.006293200000000001 0.5225972000000001 ] [ 0.0 0.0 0.0 ] [ -1.7918852000000005 3.2702910000000007 13.708585000000003 ] [ -2.6071882000000004 -2.8415135000000005 -13.262091600000003 ] [ 10.347753400000002 -0.9584020000000002 0.5163967000000002 ] [ 1.3743755000000002 3.7327470000000007 0.14066070000000003 ] [ 0.8833042000000002 -6.704913200000002 -11.444561000000002 ] [ -0.12030100000000003 1.8304462000000004 11.429692500000002 ] [ -8.374107300000002 -0.3169214000000001 -5.507734000000001 ] [ -0.8222524000000002 -4.034554300000001 5.3776413000000005 ] [ 1.6358627000000003 -1.1210856000000002 -6.298048800000002 ] [ 3.120213000000001 4.943813400000001 4.919100300000001 ] [ -3.509416200000001 0.31752850000000005 8.039103200000001 ] [ -0.3981615000000001 0.052935400000000014 -7.938850500000002 ] [ 2.6997315000000004 3.1027886000000007 -0.17329570000000002 ] [ 0.0 0.0 0.0 ] [ -3.1693298000000008 -5.634982300000001 4.578614400000001 ] [ -0.5392376000000001 2.3168469000000003 -3.785835200000001 ] [ -4.448593100000001 8.257149100000001 0.5785002000000001 ] [ 0.0 0.0 0.0 ] [ -10.642228800000002 0.4444028000000001 -0.5365866000000001 ] [ -0.5402184000000001 -0.7819218000000002 11.736057500000001 ] [ 5.881541200000001 -9.436689400000002 -12.959394300000003 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.4861143055186e-09 1.2710610270680856e-09 1.760081092318422e-08 ] [ 9.569644263164888e-09 1.6046337188656592e-09 6.375631149040207e-10 ] [ 5.3809984608886076e-09 -1.6291218669909526e-09 -1.7997186855687545e-08 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 6.567640801806741e-10 1.1324028944682185e-09 -1.4188924219103426e-10 ] [ -8.227284293641595e-10 -9.823585732773123e-10 1.2409667187507169e-08 ] [ -7.550274949462831e-09 -7.6704450853823e-09 -1.0447300273837598e-08 ] [ 4.993279569320449e-10 2.3084722155174334e-08 -6.681345674408297e-10 ] [ -3.9218535944279335e-09 7.858060608548628e-09 1.847718855713119e-08 ] [ -1.3820277798246936e-09 1.8223784938214557e-09 -1.979459046012631e-08 ] [ 0.0 0.0 0.0 ] [ 6.290187710723591e-09 -1.0251208275041265e-08 1.7650580777515086e-08 ] [ 5.878706617257023e-09 -1.0239524081598757e-08 -1.5285710406855937e-08 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 4.4993060866551174e-10 3.0849285984621896e-10 1.4555570803101837e-08 ] [ -1.1019672904870873e-08 1.1756739999897987e-10 -1.4257543360942685e-08 ] [ -4.6334478435786115e-09 7.592080544029365e-10 -6.391524741118543e-10 ] [ 1.3490747398063638e-08 1.6775821341955125e-08 5.537806530901883e-10 ] [ 6.259338761196059e-10 5.732802640889588e-10 2.0890881735520653e-08 ] [ -1.8595009261253916e-09 -3.0051212970622243e-09 -2.0790943725750984e-08 ] [ -1.6840654700657094e-10 1.3460891958258667e-09 1.9581241737382662e-08 ] [ -2.2441329039982547e-09 1.2995793543524042e-08 -2.0461554637545644e-08 ] [ 1.6924453504672456e-08 4.668175502487437e-10 2.173106587916843e-08 ] [ -1.1002653142845776e-09 -7.656202856747023e-10 -2.2394121867156648e-08 ] [ 2.8643425234870664e-09 3.135020970946826e-09 -1.3633870957123338e-09 ] [ 5.373823593545341e-09 -1.0354124250496014e-08 1.5521606721401764e-09 ] [ -7.837751738138691e-09 -1.2957875630527877e-08 -3.891596649161788e-09 ] [ 4.734106672609979e-10 6.834467296234774e-10 3.5122627489385863e-09 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 1.482277621230069e-08 9.925878301304719e-10 -9.820089783386537e-10 ] [ -9.777056761310808e-09 1.572695321279516e-08 -4.613507954444445e-09 ] [ -2.9353131799526716e-09 -1.407198935843434e-09 -5.589120082406893e-09 ] [ -6.976599107966197e-09 -2.7034780627052494e-09 9.365997200513173e-09 ] [ 8.92348755351988e-09 3.783430661356e-09 -1.3750837861324843e-09 ] [ 1.0486558247359397e-08 -1.3891116916011973e-08 -1.0582401093686301e-08 ] [ -2.183837710574702e-09 1.7058553925439134e-09 -1.4904725463625003e-09 ] [ -6.118980078330876e-09 -1.4569339588545668e-08 1.4822834211094363e-08 ] [ -1.6009150669287824e-08 -1.0082817910018563e-11 8.372930159355419e-10 ] [ 0.0 0.0 0.0 ] [ -2.870916574597533e-09 5.2395837834126545e-09 2.1963574391249575e-08 ] [ -4.177175980065635e-09 -4.5526064973875814e-09 -2.1248213104428073e-08 ] [ 1.6578928575283714e-08 -1.535529277727962e-09 8.273587197982716e-10 ] [ 2.201992294300311e-09 5.980519974761339e-09 2.253632850053626e-10 ] [ 1.4152093382944477e-09 -1.0742455173533318e-08 -1.833620806951947e-08 ] [ -1.9274344965886085e-10 2.9326981072722016e-09 1.8312386106433107e-08 ] [ -1.3416798936130616e-08 -5.077640577112052e-10 -8.82436264838527e-09 ] [ -1.3173935716766903e-09 -6.464068574808111e-09 8.61593116590852e-09 ] [ 2.6209409727787646e-09 -1.796177138235541e-09 -1.0090586544017498e-08 ] [ 4.999132320516232e-09 7.92086224707776e-09 7.881267496030268e-09 ] [ -5.6227045882967785e-09 5.087367391376929e-10 1.288006319923847e-08 ] [ -6.379250466026594e-10 8.481186029269635e-11 -1.2719440667126394e-08 ] [ 4.325446691737316e-09 4.9712153542047645e-09 -2.776503190251706e-10 ] [ 0.0 0.0 0.0 ] [ -5.077826109164741e-09 -9.028236899681813e-09 7.335748947338222e-09 ] [ -8.639538757763023e-10 3.711997937152956e-09 -6.065576647641694e-09 ] [ -7.127431860272198e-09 1.3229411242479764e-08 9.268594955681244e-10 ] [ 0.0 0.0 0.0 ] [ -1.7050730176564443e-08 7.120117763780584e-10 -8.597065055545615e-10 ] [ -8.655252906059829e-10 -1.2527768272538539e-09 1.8803236946864497e-08 ] [ 9.42326780491198e-09 -1.5119243134431182e-08 -2.0763238567188788e-08 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -58.092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.30736442555136e-18 } }