{ "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" [ 10.7042234 0 0 ] "si-unit" "m" "si-value" [ 1.07042234e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7042234 0 ] "si-unit" "m" "si-value" [ 0.0 1.07042234e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7042234 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07042234e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4010384 2.8009794 1.0593894 ] [ 1.5148004 5.0003374 1.0481604 ] [ 4.3778824 3.8594174 0.3278711 ] [ 1.7279894 2.4894494 4.4628424 ] [ 0.1297629 1.6301264 2.9731554 ] [ 3.5636974 2.1610804 2.9739464 ] [ 1.3083454 4.7201294 4.1867494 ] [ 5.1383084 4.7437024 3.9177664 ] [ 5.2483464 0.8931471000000001 5.3642204 ] [ 4.8443924 0.3202786 7.6559124 ] [ 0.8672969 3.8142994 7.3161584 ] [ 2.8975314 2.7494954 6.4804894 ] [ 3.3877964 4.8856814 5.6775394 ] [ 5.2543794 3.2776804 5.7834184 ] [ 4.2548854 5.2436594 8.0248644 ] [ 0.3230521 1.6845124 8.1994764 ] [ 4.2635974 0.2325818 9.9843334 ] [ 3.1233014 2.2667054 9.6237154 ] [ 0.6931568 4.5058604 9.6113704 ] [ 5.1462764 3.2161264 8.9478264 ] [ 0.5883898000000001 7.1378594 0.7067927 ] [ 4.6948864 7.7204584 1.4185134 ] [ 2.4492514 8.6382574 1.1453194 ] [ 5.1758904 9.803473400000001 2.3304484 ] [ 2.9254964 10.6511934 2.4212914 ] [ 0.8270548000000001 7.8606024 3.7818684 ] [ 2.9680814 7.1281044 2.9567874 ] [ 1.0465544 10.1867034 3.8462384 ] [ 4.1676094 8.0393784 4.7857004 ] [ 3.2708344 10.2892634 4.8344344 ] [ 0.6308565 7.2406144 6.0183164 ] [ 2.8136554 7.7856854 6.7398864 ] [ 0.3920157 10.4420734 6.9549844 ] [ 2.7132714 10.0432634 7.149649399999999 ] [ 0.4276244 6.7974854 9.1407944 ] [ 2.7807554 6.9099974 8.9100414 ] [ 4.0120494 8.5713504 10.0403334 ] [ 5.5393334 2.3566544 1.6628424 ] [ 6.2066264 0.3633411 0.6463288 ] [ 8.1193594 0.252634 2.0872004 ] [ 8.359641400000001 5.1773214 2.4593584 ] [ 10.4517034 3.9937184 2.3369434 ] [ 9.5660494 3.5591804 0.03503299999999999 ] [ 7.4907034 0.1522587 5.3288214 ] [ 8.608798400000001 1.7230944 3.8951794 ] [ 7.016109399999999 3.3882234 3.1778134 ] [ 9.1175434 2.3570904 7.0728944 ] [ 6.3152754 5.2685554 6.8362834 ] [ 8.3395284 4.4576014 7.7478004 ] [ 10.3109434 5.1497614 5.6956994 ] [ 7.8664654 1.5095364 8.849506400000001 ] [ 9.795050400000001 1.3392214 10.1295534 ] [ 7.3878144 3.6661644 9.7070424 ] [ 8.971327400000002 7.0529824 1.0876804 ] [ 9.913968400000002 10.1317134 0.7813031 ] [ 6.1825404 6.5896414 4.9032334 ] [ 8.5470164 6.3262834 4.4575954 ] [ 7.2007324 9.3420634 3.5400004 ] [ 9.2406324 8.151507400000002 3.1530214 ] [ 7.0950974 10.2901834 7.6391944 ] [ 9.5990564 8.7306904 6.4404134 ] [ 10.2376134 9.0476474 8.8492394 ] [ 8.0754484 8.1689354 8.1464124 ] [ 8.300732400000001 8.864912400000001 10.3945434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4010384e-10 2.8009794e-10 1.0593894e-10 ] [ 1.5148004e-10 5.000337400000001e-10 1.0481604000000001e-10 ] [ 4.3778824e-10 3.8594174e-10 3.278711e-11 ] [ 1.7279894e-10 2.4894494e-10 4.4628424000000005e-10 ] [ 1.2976289999999999e-11 1.6301264e-10 2.9731554e-10 ] [ 3.5636974e-10 2.1610804e-10 2.9739464000000004e-10 ] [ 1.3083454e-10 4.720129400000001e-10 4.1867494000000005e-10 ] [ 5.1383084e-10 4.7437024e-10 3.9177664000000004e-10 ] [ 5.2483464e-10 8.931471000000002e-11 5.3642204e-10 ] [ 4.844392400000001e-10 3.2027860000000004e-11 7.655912400000001e-10 ] [ 8.672969000000001e-11 3.8142994e-10 7.3161584e-10 ] [ 2.8975314000000004e-10 2.7494954e-10 6.4804894e-10 ] [ 3.3877964e-10 4.8856814e-10 5.6775394e-10 ] [ 5.2543794e-10 3.2776804e-10 5.7834184e-10 ] [ 4.2548854e-10 5.2436594e-10 8.0248644e-10 ] [ 3.2305210000000003e-11 1.6845124000000002e-10 8.1994764e-10 ] [ 4.2635974000000005e-10 2.3258180000000002e-11 9.9843334e-10 ] [ 3.1233014e-10 2.2667054000000003e-10 9.6237154e-10 ] [ 6.931568e-11 4.505860400000001e-10 9.6113704e-10 ] [ 5.146276399999999e-10 3.2161264e-10 8.947826400000001e-10 ] [ 5.883898e-11 7.1378594e-10 7.067927000000001e-11 ] [ 4.694886399999999e-10 7.7204584e-10 1.4185134e-10 ] [ 2.4492514e-10 8.638257400000001e-10 1.1453194e-10 ] [ 5.1758904e-10 9.803473400000002e-10 2.3304484e-10 ] [ 2.9254964000000004e-10 1.06511934e-09 2.4212914e-10 ] [ 8.270548e-11 7.860602400000001e-10 3.7818684e-10 ] [ 2.9680814e-10 7.1281044e-10 2.9567874000000003e-10 ] [ 1.0465544000000001e-10 1.01867034e-09 3.8462384e-10 ] [ 4.1676094e-10 8.039378400000001e-10 4.7857004e-10 ] [ 3.2708344e-10 1.02892634e-09 4.834434400000001e-10 ] [ 6.308565000000001e-11 7.240614400000001e-10 6.0183164e-10 ] [ 2.8136554e-10 7.7856854e-10 6.7398864e-10 ] [ 3.9201570000000006e-11 1.04420734e-09 6.9549844e-10 ] [ 2.7132714e-10 1.00432634e-09 7.149649399999999e-10 ] [ 4.276244e-11 6.797485400000001e-10 9.140794400000001e-10 ] [ 2.7807554e-10 6.9099974e-10 8.910041400000001e-10 ] [ 4.0120494000000005e-10 8.5713504e-10 1.00403334e-09 ] [ 5.539333400000001e-10 2.3566544000000003e-10 1.6628424e-10 ] [ 6.206626400000001e-10 3.633411e-11 6.463288000000001e-11 ] [ 8.119359400000001e-10 2.5263400000000003e-11 2.0872004e-10 ] [ 8.359641400000001e-10 5.1773214e-10 2.4593584e-10 ] [ 1.04517034e-09 3.9937184e-10 2.3369434e-10 ] [ 9.5660494e-10 3.5591804e-10 3.503299999999999e-12 ] [ 7.4907034e-10 1.522587e-11 5.3288214e-10 ] [ 8.608798400000001e-10 1.7230944e-10 3.8951794e-10 ] [ 7.016109399999999e-10 3.3882234000000006e-10 3.1778134e-10 ] [ 9.117543400000001e-10 2.3570904e-10 7.0728944e-10 ] [ 6.3152754e-10 5.268555400000001e-10 6.8362834e-10 ] [ 8.339528400000001e-10 4.4576013999999997e-10 7.747800400000001e-10 ] [ 1.03109434e-09 5.1497614e-10 5.6956994e-10 ] [ 7.866465400000001e-10 1.5095364000000001e-10 8.849506400000001e-10 ] [ 9.7950504e-10 1.3392214e-10 1.0129553400000001e-09 ] [ 7.3878144e-10 3.6661644000000004e-10 9.7070424e-10 ] [ 8.971327400000002e-10 7.052982400000001e-10 1.0876804000000001e-10 ] [ 9.913968400000003e-10 1.0131713400000001e-09 7.813031e-11 ] [ 6.1825404e-10 6.5896414e-10 4.9032334e-10 ] [ 8.5470164e-10 6.326283400000001e-10 4.4575954e-10 ] [ 7.2007324e-10 9.3420634e-10 3.5400004e-10 ] [ 9.240632400000001e-10 8.151507400000002e-10 3.1530214e-10 ] [ 7.0950974e-10 1.02901834e-09 7.639194400000001e-10 ] [ 9.5990564e-10 8.7306904e-10 6.4404134e-10 ] [ 1.0237613400000002e-09 9.047647400000001e-10 8.849239400000001e-10 ] [ 8.075448400000001e-10 8.168935400000001e-10 8.146412400000001e-10 ] [ 8.300732400000002e-10 8.864912400000002e-10 1.03945434e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2202914 -4.3064183 -0.7067387 ] [ 9.073286 4.7898432 2.1840132 ] [ 7.458681 20.2025852 3.0456642 ] [ -4.9267 -4.5419033 3.5370438 ] [ -3.6862881 -3.7044477 -5.4680494 ] [ 5.1621425 4.2962451 3.0773708 ] [ 1.7591377 5.9889937 -4.9984201 ] [ -0.2139516 5.4304536 -13.8587513 ] [ 3.8813266 -0.6187899 -3.1510313 ] [ 2.1688335 -3.0826978 3.3408702 ] [ -0.5400814 4.3321492 0.2693087 ] [ 0.5882598 -8.2824931 8.3522749 ] [ -1.761887 10.8876351 -0.4297474 ] [ 10.9482511 -4.1618943 2.6969388 ] [ 3.6027998 8.4284686 9.0315603 ] [ 7.8517109 -3.670022 3.5938879 ] [ -2.7270795 -4.4044406 -0.030562 ] [ -9.0786637 -3.818628 -6.1511462 ] [ 1.1679706 -0.8712122 -3.147073 ] [ 6.8027765 0.7501019 -3.4501547 ] [ -0.6806324 3.8978724 1.2520977 ] [ 16.89271 -16.0742432 -6.2008122 ] [ -6.2510409 4.0399632 -7.9386562 ] [ 4.1722781 -3.1008366 1.4413725 ] [ -3.2621135 1.5330057 -10.1043109 ] [ -1.8153566 -2.800321 -3.1400574 ] [ 4.0446003 -11.553216 -1.6348429 ] [ -10.5569524 1.7607459 1.8557232 ] [ 10.6649656 -1.6021537 3.0924769 ] [ 2.4886721 0.6529671 2.9099739 ] [ -0.9406574 -2.1573894 5.8281528 ] [ 7.343016 -3.0700404 4.1151437 ] [ -1.1576709 3.5675211 -3.9190718 ] [ 0.5173561 1.4813093 10.4185719 ] [ -7.392713 0.0589421 -6.0436243 ] [ 6.5146863 -1.3322636 5.5221145 ] [ 10.1480199 -4.269366 -9.5850228 ] [ 6.5865195 4.0167511 -1.6798033 ] [ 5.6908595 -3.4509952 -9.1608997 ] [ 1.4154151 2.5472036 -2.3947262 ] [ -9.6533088 0.7934024 -7.7228019 ] [ -5.0932617 -0.4573944 1.5028143 ] [ -6.6902212 4.7667136 3.45337 ] [ 4.8011648 -1.9416803 3.6730773 ] [ 2.0937632 4.8260925 6.4658815 ] [ 2.2177189 2.2348787 -0.0172463 ] [ -3.5768442 -0.7956152 -13.0844428 ] [ 6.8643595 9.0911872 7.0875539 ] [ 0.8383127 12.2953881 0.1638294 ] [ -10.4112446 -3.3684156 3.4215467 ] [ -7.7792975 -4.3510127 1.5716013 ] [ 4.073722 -3.8678379 5.9340708 ] [ -5.4387027 12.8106483 9.7289811 ] [ -12.864782 -5.6891917 -8.1489914 ] [ 10.0757794 -1.2025376 2.3952145 ] [ 3.4562536 9.0938141 0.3904355 ] [ -4.7507687 -0.4709216 6.7661135 ] [ -3.2855186 -9.5570685 3.5615668 ] [ -2.5955909 4.4739135 -0.1302981 ] [ -2.4552447 -7.9903061 2.1595775 ] [ -9.9732854 -0.7602754 -6.902339 ] [ 5.4630166 2.790716 5.0059882 ] [ -14.7326576 -15.3417342 0.2134017 ] [ -15.3155565 -5.1717482 0.1400374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.15681820764433e-08 -6.899642719645281e-09 -1.132320222154585e-09 ] [ 1.4537006703031948e-08 7.674174792337858e-09 3.4991748885585945e-09 ] [ 1.1950124320205166e-08 3.23681096871601e-08 4.879691976047535e-09 ] [ -7.89344355769536e-09 -7.27693128119437e-09 5.666968883105592e-09 ] [ -5.906084611353253e-09 -5.935179497916332e-09 -8.760780910059467e-09 ] [ 8.270664026738065e-09 6.883343456446558e-09 4.930491549292593e-09 ] [ 2.818449295707884e-09 9.59542568825849e-09 -8.008351825156798e-09 ] [ -3.4278825150275326e-10 8.700545798259196e-09 -2.2204167326341607e-08 ] [ 6.218570736209154e-09 -9.9141071096717e-10 -5.048508680269032e-09 ] [ 3.4748543281078367e-09 -4.9390263441515946e-09 5.35266412756742e-09 ] [ -8.653057924089332e-10 6.940868166057424e-09 4.31480102918041e-10 ] [ 9.424960985164838e-10 -1.3270016806757317e-08 1.3381819575274657e-08 ] [ -2.82285415989145e-09 1.744391441302147e-08 -6.885312371295859e-10 ] [ 1.7541031951067884e-08 -6.668089745700782e-09 4.320972293088407e-09 ] [ 5.772321608982916e-09 1.3503895340066908e-08 1.4470154762005435e-08 ] [ 1.2579827637260527e-08 -5.880023446221658e-09 5.7580431711560084e-09 ] [ -4.369263017962954e-09 -7.056691757022325e-09 -4.89657218848896e-11 ] [ -1.4545622728245626e-08 -6.1181165051322625e-09 -9.855222632762762e-09 ] [ 1.8712951891017487e-09 -1.3958358185957337e-09 -5.042166784550918e-09 ] [ 1.0899249464827652e-08 1.2017957273976595e-09 -5.527757198483238e-09 ] [ -1.090493318638994e-09 6.245080030141586e-09 2.0060816618974524e-09 ] [ 2.706510502395437e-08 -2.5753776652093382e-08 -9.934796336811414e-09 ] [ -1.0015271585644591e-08 6.472734587932355e-09 -1.2719129364208968e-08 ] [ 6.684726427295844e-09 -4.968087905440962e-09 2.309333321364048e-09 ] [ -5.226481984096061e-09 2.4561458920931385e-09 -1.6188890693274608e-08 ] [ -2.9085219029349774e-09 -4.486608836935277e-09 -5.0309265542500336e-09 ] [ 6.480164041140667e-09 -1.8510292570252496e-08 -2.6193070730608724e-09 ] [ -1.6914102322178452e-08 2.821025916149455e-09 2.9731963257161623e-09 ] [ 1.7087158545956244e-08 -2.566933201068217e-09 4.9546941895440595e-09 ] [ 3.98729225545724e-09 1.0461686217715758e-09 4.662292149718197e-09 ] [ -1.507099294462514e-09 -3.4565188586417395e-09 9.337730158610058e-09 ] [ 1.1764808561360334e-08 -4.9187469537914804e-09 6.593187027372409e-09 ] [ -1.8547932505604949e-09 5.715798900630699e-09 -6.279045213196574e-09 ] [ 8.288958480482669e-10 2.3733191286336133e-09 1.6692392320303836e-08 ] [ -1.184443193288423e-08 9.443565460085568e-11 -9.682953558358767e-09 ] [ 1.0437678081706056e-08 -2.1345215926628433e-09 8.847402749280682e-09 ] [ 1.6258920231193154e-08 -6.840278390838413e-09 -1.5356899439994958e-08 ] [ 1.0552767555343305e-08 6.435544703992683e-09 -2.691341574802689e-09 ] [ 9.117762043157579e-09 -5.52910382793302e-09 -1.4677379324833734e-08 ] [ 2.267744981947294e-09 4.081070056337595e-09 -3.836774330857225e-09 ] [ -1.5466305672722903e-08 1.27117077616661e-09 -1.2373292651249821e-08 ] [ -8.160304819356064e-09 -7.328266141648435e-10 2.4077739368639176e-09 ] [ -1.0718915994620521e-08 7.637117087969403e-09 5.532908676972096e-09 ] [ 7.692313995167908e-09 -3.1109147817279304e-09 5.884918576451188e-09 ] [ 3.354578448531395e-09 7.732252573318224e-09 1.0359484172163236e-08 ] [ 3.553177373086293e-09 3.580670403463897e-09 -2.763161865530304e-11 ] [ -5.730736153484079e-09 -1.274716072593116e-09 -2.096358835035489e-08 ] [ 1.0997916307666378e-08 1.4565687587156215e-08 1.135551315723986e-08 ] [ 1.3431250088597243e-09 1.9699383357482532e-08 2.624836344796915e-10 ] [ -1.6680652691550247e-08 -5.396796723458005e-09 5.481922129715391e-09 ] [ -1.246380858074789e-08 -6.971090824743885e-09 2.517982860078887e-09 ] [ 6.526822148038618e-09 -6.196959456424169e-09 9.507429501931953e-09 ] [ -8.713762313421837e-09 2.0524921203551267e-08 1.5587546062625068e-08 ] [ -2.0611652952088665e-08 -9.115089932989409e-09 -1.305612350418026e-08 ] [ 1.6143178191018253e-08 -1.926677628352942e-09 3.837556673701162e-09 ] [ 5.537528713475835e-09 1.4569896344921392e-08 6.255466300303584e-10 ] [ -7.611570541968409e-09 -7.544995777497293e-10 1.0840508863379262e-08 ] [ -5.263981088123547e-09 -1.5312111714084126e-08 5.7062590603774694e-09 ] [ -4.158595057141231e-09 7.167999613181501e-09 -2.0876056955466048e-10 ] [ -3.93373565668311e-09 -1.2801881626455626e-08 3.4600245813057124e-09 ] [ -1.5978964700445977e-08 -1.2180954712493685e-09 -1.1058766174636052e-08 ] [ 8.752717475562305e-09 4.4712199304924935e-09 8.020477258040674e-09 ] [ -2.360431956897144e-08 -2.4580167857767792e-08 3.4190721457897537e-10 ] [ -2.4538226558841475e-08 -8.286054054704483e-09 2.2436464831761793e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -1733.247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.776967821471738e-16 } }