{ "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" [ 10.5856 0 0 ] "si-unit" "m" "si-value" [ 1.05856e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.4462 9.06493 0 ] "si-unit" "m" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.279622 0.188792 10.3176 ] "si-unit" "m" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0680542 0.163652 0.255954 ] [ 0.0999824 0.0476252 2.72693 ] [ -0.118852 0.128026 4.88578 ] [ -0.181823 0.243541 7.84184 ] [ -1.38184 2.22897 -0.108646 ] [ -1.30117 2.39414 2.29388 ] [ -1.7062 2.39552 4.81294 ] [ -1.61019 2.58763 7.79003 ] [ -2.70858 4.54239 -0.151845 ] [ -2.69884 4.68625 2.76596 ] [ -2.86548 4.77395 4.97841 ] [ -2.99159 4.6637 7.94938 ] [ -4.1901 6.67321 -0.399259 ] [ -4.08937 6.83628 2.32301 ] [ -4.1903 6.93981 5.23022 ] [ -4.25869 7.02167 7.61028 ] [ 2.64946 0.100672 0.0899987 ] [ 2.34792 -0.0568394 2.50299 ] [ 2.16376 0.25261 4.92835 ] [ 2.29899 0.174675 7.95102 ] [ 1.22435 2.52218 -0.106384 ] [ 0.9573 2.48507 2.89269 ] [ 1.19859 2.5471 5.01782 ] [ 1.10265 2.51164 7.82102 ] [ 0.265809 4.85078 0.00877376 ] [ -0.208711 4.43865 2.53497 ] [ 0.176284 4.84074 4.94991 ] [ -0.25392 4.74744 7.76477 ] [ -1.65563 6.92317 0.0957015 ] [ -1.45747 6.84972 2.45262 ] [ -1.68993 7.06359 5.38303 ] [ -1.59978 7.00696 7.18415 ] [ 5.06785 0.0923991 0.178855 ] [ 4.8986 0.11394 2.76417 ] [ 5.44756 0.154347 5.52516 ] [ 4.81211 0.307407 7.61283 ] [ 4.09234 2.51394 -0.0280987 ] [ 3.66159 2.50997 2.49044 ] [ 3.7568 2.35138 5.32247 ] [ 3.52485 2.84703 7.8516 ] [ 2.41741 4.60396 0.213121 ] [ 2.23357 4.70351 2.98342 ] [ 2.68435 4.58157 5.09325 ] [ 2.36938 4.84011 7.83278 ] [ 1.23197 6.85774 -0.354973 ] [ 1.03514 6.99328 2.29884 ] [ 1.1221 7.01945 5.15496 ] [ 1.04457 7.05661 7.65948 ] [ 8.03473 0.246063 0.425808 ] [ 7.83973 0.155836 2.64412 ] [ 7.94824 -0.0291046 5.41958 ] [ 7.79487 0.327794 8.00636 ] [ 6.54326 2.36157 0.443569 ] [ 6.58001 2.40647 2.97967 ] [ 6.74105 2.32551 5.05787 ] [ 6.35624 2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 1.00672e-11 8.99987e-12 ] [ 2.34792e-10 -5.68394e-12 2.50299e-10 ] [ 2.16376e-10 2.5261e-11 4.92835e-10 ] [ 2.29899e-10 1.74675e-11 7.95102e-10 ] [ 1.22435e-10 2.52218e-10 -1.06384e-11 ] [ 9.573e-11 2.48507e-10 2.89269e-10 ] [ 1.19859e-10 2.5471e-10 5.01782e-10 ] [ 1.1026499999999999e-10 2.5116399999999997e-10 7.82102e-10 ] [ 2.6580900000000003e-11 4.85078e-10 8.773760000000001e-13 ] [ -2.0871100000000003e-11 4.43865e-10 2.5349700000000003e-10 ] [ 1.76284e-11 4.84074e-10 4.94991e-10 ] [ -2.5392e-11 4.74744e-10 7.764770000000001e-10 ] [ -1.65563e-10 6.92317e-10 9.57015e-12 ] [ -1.4574700000000001e-10 6.84972e-10 2.45262e-10 ] [ -1.68993e-10 7.06359e-10 5.38303e-10 ] [ -1.59978e-10 7.00696e-10 7.18415e-10 ] [ 5.06785e-10 9.23991e-12 1.78855e-11 ] [ 4.8986e-10 1.1394000000000001e-11 2.76417e-10 ] [ 5.447560000000001e-10 1.54347e-11 5.525159999999999e-10 ] [ 4.812109999999999e-10 3.07407e-11 7.61283e-10 ] [ 4.0923400000000003e-10 2.51394e-10 -2.80987e-12 ] [ 3.66159e-10 2.5099700000000004e-10 2.49044e-10 ] [ 3.7568000000000004e-10 2.35138e-10 5.32247e-10 ] [ 3.52485e-10 2.8470300000000004e-10 7.851600000000001e-10 ] [ 2.41741e-10 4.60396e-10 2.1312100000000002e-11 ] [ 2.23357e-10 4.703509999999999e-10 2.9834200000000004e-10 ] [ 2.68435e-10 4.58157e-10 5.09325e-10 ] [ 2.36938e-10 4.840110000000001e-10 7.83278e-10 ] [ 1.23197e-10 6.85774e-10 -3.54973e-11 ] [ 1.03514e-10 6.993280000000001e-10 2.2988400000000002e-10 ] [ 1.1221000000000002e-10 7.01945e-10 5.15496e-10 ] [ 1.0445700000000001e-10 7.05661e-10 7.65948e-10 ] [ 8.03473e-10 2.4606300000000003e-11 4.2580800000000006e-11 ] [ 7.839730000000001e-10 1.55836e-11 2.6441200000000004e-10 ] [ 7.948240000000001e-10 -2.91046e-12 5.41958e-10 ] [ 7.79487e-10 3.27794e-11 8.006360000000001e-10 ] [ 6.54326e-10 2.36157e-10 4.43569e-11 ] [ 6.58001e-10 2.40647e-10 2.9796700000000003e-10 ] [ 6.74105e-10 2.32551e-10 5.05787e-10 ] [ 6.35624e-10 2.3677899999999997e-10 8.105930000000001e-10 ] [ 5.584469999999999e-10 4.85785e-10 3.31316e-11 ] [ 5.18105e-10 4.71119e-10 2.66831e-10 ] [ 5.113470000000001e-10 4.91069e-10 5.65221e-10 ] [ 5.262590000000001e-10 5.22511e-10 8.025510000000001e-10 ] [ 3.84325e-10 6.898500000000001e-10 2.90269e-11 ] [ 3.8973e-10 7.018220000000001e-10 2.77996e-10 ] [ 3.85324e-10 7.1029e-10 5.03452e-10 ] [ 3.69095e-10 7.15117e-10 7.826260000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5613181 4.9044933 2.6154657 ] [ 5.2044323 -3.1281702 -2.4447138 ] [ -1.7436772 -2.5286862 -3.4060543 ] [ 0.0643208 -0.2235511 4.6478658 ] [ 3.1722884 1.4311209 -1.1241292 ] [ 0.4560555 0.5734761 -1.007812 ] [ -0.3428683 1.9033474 -1.3693246 ] [ -3.2597961 1.3663646 2.263783 ] [ -1.4726529 0.1520185 -4.9721861 ] [ -1.4547061 1.6678509 5.2594139 ] [ -0.1291836 -0.4740854 -1.7224438 ] [ -3.4660595 -5.9423827 3.6408822 ] [ 1.6163308 -9.8966854 -3.8522294 ] [ 2.2376432 3.1488012 -1.4360359 ] [ 0.623752 0.3928272 6.4869674 ] [ 1.0875339 3.0099731 -1.5036458 ] [ 4.3211774 -0.1873797 0.9753352 ] [ 3.3081978 -7.9060481 -0.257773 ] [ 2.7933273 1.8389897 0.5202996 ] [ -2.2373548 -0.2922698 1.7192671 ] [ -7.3051443 3.1235843 -1.9050257 ] [ -1.1299249 3.9538999 0.945883 ] [ 7.1751985 3.0552403 -1.5789299 ] [ 1.0914816 -0.9222867 4.326369 ] [ 1.1452644 -3.3793536 -0.3120856 ] [ -1.5639569 -3.4996227 -0.3758375 ] [ -0.2842494 -3.3967644 -1.3070553 ] [ 1.9478436 -0.5111858 4.5231733 ] [ -6.8307193 2.1658593 -0.4019179 ] [ 0.5284914 0.728835 -4.6737088 ] [ -5.7119443 0.4024559 0.7999379 ] [ 4.4784389 2.0987605 3.6389652 ] [ -6.1523043 1.7016453 4.6060884 ] [ -8.3965513 -2.6695922 -4.1843551 ] [ 2.165882 0.2923398 0.4917678 ] [ -4.3975489 1.890583 -1.2679504 ] [ 4.9774 -0.931871 0.2095598 ] [ -0.8062359 5.3074741 -2.9616134 ] [ -4.8094251 -1.9252469 2.4630475 ] [ -3.1132374 0.5677366 -2.0343128 ] [ 2.2253921 0.214075 -2.1464917 ] [ -5.1844745 -5.3009448 -1.8965905 ] [ 2.4865451 -9.7766171 -0.1687827 ] [ -7.8403428 0.8753183 2.0626805 ] [ 4.5910048 -5.9410152 -0.5666932 ] [ -2.1468188 5.3415581 -6.1285753 ] [ -2.5823368 5.5583594 3.5919962 ] [ 2.5338366 -4.6367712 -1.649339 ] [ 4.1995998 4.9248129 1.1624604 ] [ -2.9390683 -0.2277063 -1.7574141 ] [ -0.0092317 1.8230741 4.4857803 ] [ 2.8690859 0.9935096 -1.1109799 ] [ -0.3628916 0.0200156 -0.2807645 ] [ -0.8921978 2.5114986 -3.5471137 ] [ -0.8198356 0.4372118 3.1500975 ] [ 2.6055375 -0.4659692 0.3590219 ] [ -2.4279953 -3.7341898 -4.2256664 ] [ 3.0100884 -0.231436 -1.6138144 ] [ 1.4906069 2.2280499 1.9803159 ] [ 6.9236679 1.5393744 1.8645448 ] [ 0.3398441 0.3119181 3.4580351 ] [ 8.9490006 4.0579736 -1.2362902 ] [ 4.4910298 1.0951098 -2.8878261 ] [ -0.7362477 0.5202951 1.0664781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.3080372198518775e-09 7.857864502130241e-09 4.190437997044307e-09 ] [ 8.338419755596372e-09 -5.01188116032326e-09 -3.9168632949071274e-09 ] [ -2.793678844062006e-09 -4.0514019109795935e-09 -5.45710056863531e-09 ] [ 1.0305328199115263e-10 -3.5816834597412287e-10 7.446701921375889e-09 ] [ 5.082566308915039e-09 2.2929084475182547e-09 -1.8010535229986075e-09 ] [ 7.306814598872544e-10 9.18810000007563e-10 -1.6146928245616896e-09 ] [ -5.493355742734407e-10 3.049498705540466e-09 -2.1938998604063118e-09 ] [ -5.222769099995019e-09 2.1891574176087437e-09 3.6269801971644868e-09 ] [ -2.3594500469333203e-09 2.4356048662908483e-10 -7.966320323686732e-09 ] [ -2.330696103555147e-09 2.6721917189602388e-09 8.42650998969055e-09 ] [ -2.069749437107789e-10 -7.595685441426164e-10 -2.759659187001911e-09 ] [ -5.553239497201738e-09 -9.520746633786379e-09 5.8333363399268705e-09 ] [ 2.589647419238961e-09 -1.58562379712927e-08 -6.171951882638412e-09 ] [ 3.5850996207320986e-09 5.044935666186985e-09 -2.3007831456094868e-09 ] [ 9.993608715772416e-10 6.293785558543258e-10 1.0393267508171762e-08 ] [ 1.742421388907445e-09 4.8225085300569005e-09 -2.4091061467241127e-09 ] [ 6.92328940460933e-09 -3.002153745525178e-10 1.5626592548832922e-09 ] [ 5.300317172141994e-09 -1.266688542874026e-08 -4.1299787407347837e-10 ] [ 4.475403694302388e-09 2.946386303232006e-09 8.336118549315916e-10 ] [ -3.58463755299466e-09 -4.682678405258919e-10 2.7545695525306158e-09 ] [ -1.1704131409030383e-08 5.0045337385579334e-09 -3.0521876385631544e-09 ] [ -1.810339258039778e-09 6.334845980763458e-09 1.5154716286121665e-09 ] [ 1.1495935286299229e-08 4.895034579585979e-09 -2.5297245716620822e-09 ] [ 1.7487463015533774e-09 -1.4776661884147835e-09 6.931607264753875e-09 ] [ 1.8349158463145396e-09 -5.414321331336315e-09 -5.000162520083405e-10 ] [ -2.5057351811188438e-09 -5.607013671560973e-09 -6.0215805571992e-10 ] [ -4.554177431564275e-10 -5.44221650804574e-09 -2.0941334437527304e-09 ] [ 3.1207894768949068e-09 -8.190099376449447e-10 7.246922513086784e-09 ] [ -1.0944018765707341e-08 3.470089134402254e-09 -6.439434628610323e-10 ] [ 8.46736565373861e-10 1.167722397420768e-09 -7.488106971787223e-09 ] [ -9.151543616771821e-09 6.448054338830227e-10 1.2816418014718483e-09 ] [ 7.175250103261269e-09 3.3625850057585185e-09 5.830264967344796e-09 ] [ -9.85707811350731e-09 2.726336316554202e-09 7.379767147818079e-09 ] [ -1.3452758188207848e-08 -4.277158209910037e-09 -6.704075914345247e-09 ] [ 3.4701255038115454e-09 4.683799928893478e-10 7.878988720222502e-10 ] [ -7.045650036404758e-09 3.0290478822819263e-09 -2.031480487214008e-09 ] [ 7.97467391236992e-09 -1.4930219298015168e-09 3.3575181221952385e-10 ] [ -1.2917323098296467e-09 8.503510918521523e-09 -4.745027749327999e-09 ] [ -7.705548454708703e-09 -3.0845855724476757e-09 3.946237120419888e-09 ] [ -4.987956177280178e-09 9.096143072924814e-10 -3.259328407554186e-09 ] [ 3.565471194733016e-09 3.4298596009776e-10 -3.4390588184812472e-09 ] [ -8.30644383503377e-09 -8.493049826711333e-09 -3.0386729583313825e-09 ] [ 3.983884425784798e-09 -1.5663867348133494e-08 -2.704196959355002e-10 ] [ -1.2561613933217611e-08 1.4024145160184006e-09 3.3047784732800543e-09 ] [ 7.355600556540581e-09 -9.518555657257437e-09 -9.079425962063386e-10 ] [ -3.4395828904539113e-09 8.55811950646487e-09 -9.819060064472346e-09 ] [ -4.137359647991486e-09 8.905473480683915e-09 5.755012333642441e-09 ] [ 4.059653761447361e-09 -7.428926412638761e-09 -2.6425323855736516e-09 ] [ 6.728500616276356e-09 7.890420090194248e-09 1.8624668754858165e-09 ] [ -4.708906517194401e-09 -3.6482571026887106e-10 -2.8156877840842736e-09 ] [ -1.479081391023936e-11 2.9208867010060014e-09 7.18701232270521e-09 ] [ 4.596782352046927e-09 1.5917778536603598e-09 -1.779986021958722e-09 ] [ -5.814164374047052e-10 3.2068526371284484e-11 -4.498343178506016e-10 ] [ -1.4294584562891943e-09 4.023864340091931e-09 -5.683102641459386e-09 ] [ -1.3135214312195405e-09 7.004905242978855e-10 5.047012567740529e-09 ] [ 4.17453126711768e-09 -7.465649582528794e-10 5.752164945351955e-10 ] [ -3.8900773050722825e-09 -5.982831595189828e-09 -6.770263913380101e-09 ] [ 4.822693261021279e-09 -3.708013484114688e-10 -2.5856157019903797e-09 ] [ 2.3882155259831634e-09 3.5697294597557777e-09 3.1728158367785107e-09 ] [ 1.1092938839563432e-08 2.466349674338028e-09 2.987330086994212e-09 ] [ 5.444902717368173e-10 4.997478874243565e-10 5.5403829911257905e-09 ] [ 1.4337879540845173e-08 6.501590429743612e-09 -1.9807552549641564e-09 ] [ 7.1954229488761e-09 1.7545593187689638e-09 -4.626807462356043e-09 ] [ -1.179598852057772e-09 8.336046451367981e-10 1.7086862784152047e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -198.27543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.17672258425067e-17 } }