{ "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" [ [ 3.6127434 -2.6468634 -3.3750583 ] [ -1.2601703 3.8000175 -3.916187 ] [ -6.0240272 2.9863485 3.8211938 ] [ -2.4885928 5.576634 2.8278956 ] [ 1.9998227 6.3216911 -0.4659544 ] [ -5.1547878 -3.9121367 4.8660375 ] [ 3.1047962 -1.8116653 -3.6938703 ] [ 2.9393859 -0.3461386 0.0015261 ] [ 5.1965496 -5.0281903 3.9701875 ] [ -4.3247429 -2.2058138 -2.3299487 ] [ -2.2539399 -0.653768 3.3089407 ] [ 0.1438563 -4.2063759 -2.3270155 ] [ 2.2088658 10.1913121 6.9574854 ] [ 1.5094704 -5.2131118 -1.4775585 ] [ 2.3142558 0.6149016 -0.8598948 ] [ 7.9925322 6.8431708 -2.86113 ] [ -4.3908314 -0.12237 -0.3679633 ] [ 6.718383 1.0316541 0.3587431 ] [ 4.4121872 2.1934861 1.2408632 ] [ 2.4994212 2.9608526 0.1036633 ] [ -6.3343326 -3.6675902 0.2676637 ] [ 4.9063244 -4.9734871 -4.1555974 ] [ 1.7403827 -0.3538279 4.6938464 ] [ -5.4636908 -4.3906539 0.0038701 ] [ -7.8234206 -3.1450045 1.4070766 ] [ -1.2955447 6.1455493 -7.1668932 ] [ 0.2307147 -0.1620491 -0.0485218 ] [ 2.0816416 2.8919048 4.1302639 ] [ -5.230876 -2.6461882 -1.4577974 ] [ -0.1829011 -0.5195721 0.3362735 ] [ -2.7774435 -2.3305629 -17.5449722 ] [ 6.6335106 -1.5255762 20.7010157 ] [ -1.4809633 3.1845528 6.0109419 ] [ -6.1102728 3.5928787 -7.1670037 ] [ 1.9295345 4.0689409 -3.2126586 ] [ -2.6454265 2.2553625 3.463589 ] [ -1.3156786 -0.4024336 5.6852488 ] [ 0.800449 6.0014887 -3.1079318 ] [ -4.3191935 -3.7967614 6.5308091 ] [ 1.4704479 -2.3825042 -6.2657837 ] [ 11.4774337 1.2969157 -2.3467025 ] [ -0.7492981 1.7594358 -8.1578793 ] [ 2.9036729 0.8417621 4.7604676 ] [ -4.1768748 8.8812903 2.0173876 ] [ 6.8904944 2.0151691 8.889536 ] [ 7.9759562 0.1705767 -2.9791659 ] [ 0.6559143 -0.1126266 0.952458 ] [ 3.3650947 -2.0761252 -1.0953714 ] [ -2.6148419 0.7991413 -4.5435532 ] [ -4.256233 -2.602219 1.8958024 ] [ 3.2834033 5.8153707 4.7637651 ] [ 4.9814107 -5.2807412 -5.0208171 ] [ 3.5826207 -0.4659313 -3.9581074 ] [ 3.5013029 2.7267945 -10.5515187 ] [ -5.3874626 -2.3142707 6.2568276 ] [ -2.6276386 -2.8678047 4.1861664 ] [ -5.1613997 -4.5521707 -0.1830745 ] [ -2.637335 -3.9677086 0.1925601 ] [ -0.6693939 0.9231614 -1.2875902 ] [ -5.2065778 -8.1071071 0.5983368 ] [ -0.9523799 -0.2277227 -2.9341178 ] [ 1.4946469 -1.2661652 -3.1172135 ] [ 0.2949587 -4.2464906 2.0658336 ] [ -9.5359128 -1.3606347 0.7105763 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.788253060117715e-09 -4.240742692869795e-09 -5.4074395466477624e-09 ] [ -2.01901540952077e-09 6.088299247291095e-09 -6.2744233057745575e-09 ] [ -9.651555622420444e-09 4.784657787680949e-09 6.122227420345669e-09 ] [ -3.987165235700636e-09 8.934752691169957e-09 4.530788253711411e-09 ] [ 3.204069202082792e-09 1.0128465767785756e-08 -7.465412521894896e-10 ] [ -8.258880566388265e-09 -6.267934009753868e-09 7.796251582667775e-09 ] [ 4.974431924971991e-09 -2.9026078122886004e-09 -5.91823268368657e-09 ] [ 4.70941540728906e-09 -5.545751770454725e-10 2.4450817611474003e-12 ] [ 8.325790346542046e-09 -8.05604900996545e-09 6.360941645098876e-09 ] [ -6.929002022437399e-09 -3.5341033293147493e-09 -3.732989365558676e-09 ] [ -3.6112098422202968e-09 -1.047451813656912e-09 5.301507472831604e-09 ] [ 2.304832025136942e-10 -6.739357180800721e-09 -3.7282898610558265e-09 ] [ 3.538993172401717e-09 1.632828211642147e-08 1.1147120539276144e-08 ] [ 2.418438204594634e-09 -8.352325916389681e-09 -2.367309704068089e-09 ] [ 3.7078465678589774e-09 9.851809757292145e-10 -1.3777033562581031e-09 ] [ 1.2805448337332615e-08 1.0963968358231088e-08 -4.5840356328364205e-09 ] [ -7.034887472913507e-09 -1.9605835470258e-10 -5.895422014295322e-10 ] [ 1.0764036260862822e-08 1.6528920933902993e-09 5.747698124287254e-10 ] [ 7.069103236673885e-09 3.5143521764237874e-09 1.9880820250304686e-09 ] [ 4.004514245164241e-09 4.743808852438148e-09 1.660869170633322e-10 ] [ -1.0148719683704468e-08 -5.876127321527386e-09 4.288445259099858e-10 ] [ 7.86079831250407e-09 -7.968404821120421e-09 -6.658001054591152e-09 ] [ 2.788400496157832e-09 -5.668947938372885e-10 7.520371025665017e-09 ] [ -8.753797735160768e-09 -7.034603086560973e-09 6.2005837912434e-12 ] [ -1.2534501683274262e-08 -5.038852723724853e-09 2.2543852507681644e-09 ] [ -2.0756914466425396e-09 9.846255491555056e-09 -1.1482628823413488e-08 ] [ 3.696457014603198e-10 -2.596312815807294e-10 -7.774049419962119e-11 ] [ 3.3351575318823746e-09 4.633342298312443e-09 6.617412312833713e-09 ] [ -8.380787302551385e-09 -4.239660903206519e-09 -2.3356489313859518e-09 ] [ -2.930398687528974e-10 -8.324462782983114e-10 5.38769544333399e-10 ] [ -4.449955077955179e-09 -3.733973422447278e-09 -2.8110144503019576e-08 ] [ 1.062805568471132e-08 -2.444242541026511e-09 3.3166683654607156e-08 ] [ -2.372764795071532e-09 5.102216085899276e-09 9.630590660511564e-09 ] [ -9.789736307525754e-09 5.756426301936296e-09 -1.1482805863931546e-08 ] [ 3.091455090396873e-09 6.5191620351069314e-09 -5.147246541939153e-09 ] [ -4.2384405252644015e-09 3.613489098699825e-09 5.549281365579426e-09 ] [ -2.1079495107738325e-09 -6.447697106565024e-10 9.10877278583654e-09 ] [ 1.2824606845086659e-09 9.615444964355037e-09 -4.9794557100255605e-09 ] [ -6.920110903424679e-09 -6.083082399953127e-09 1.046350974113457e-08 ] [ 2.3559172668943685e-09 -3.817192559646863e-09 -1.0038892237838065e-08 ] [ 1.8388876092424166e-08 2.0778880308077537e-09 -3.7598319124493855e-09 ] [ -1.2005079077205953e-09 2.8189269277830973e-09 -1.3070363597452274e-08 ] [ 4.652196873159019e-09 1.3486515680067713e-09 7.627109955634058e-09 ] [ -6.692091207703424e-09 1.422939579843085e-08 3.2322112744413387e-09 ] [ 1.103978912438785e-08 3.2286568455788095e-09 1.4242606866301824e-08 ] [ 1.277889065744743e-08 2.7329400304482777e-10 -4.773149993789581e-09 ] [ 1.050890565366466e-09 -1.804477068868644e-10 1.5260059524663721e-09 ] [ 5.39147609953724e-09 -3.326319284698577e-09 -1.7549784626318677e-09 ] [ -4.189438593784165e-09 1.2803655181243842e-09 -7.2795747723759285e-09 ] [ -6.819237061459722e-09 -4.169214478350846e-09 3.0374103079611215e-09 ] [ 5.260592047258492e-09 9.317251053588223e-09 7.632393133084673e-09 ] [ 7.981099827897584e-09 -8.46068016084112e-09 -8.044235841207642e-09 ] [ 5.739991174024724e-09 -7.465042419092442e-10 -6.341587191142491e-09 ] [ 5.609705694936439e-09 4.368806433619713e-09 -1.6905396714354056e-08 ] [ -8.631666694268888e-09 -3.7078704402908233e-09 1.00245429836863e-08 ] [ -4.209941167516472e-09 -4.59472968121538e-09 6.706977992115898e-09 ] [ -8.26947399807461e-09 -7.293381529519423e-09 -2.93317686181233e-10 ] [ -4.22547651303039e-09 -6.356970009440852e-09 3.0851529286070343e-10 ] [ -1.0724872655221325e-09 1.4790676244907277e-09 -2.0629469326073866e-09 ] [ -8.341857294263126e-09 -1.2989017564955503e-08 9.586412402223311e-10 ] [ -1.5258808224712565e-09 -3.648519889713918e-10 -4.700974980563485e-09 ] [ 2.3946883392605346e-09 -2.028620298223937e-09 -4.994326632889359e-09 ] [ 4.725759371350158e-10 -6.80362801582064e-09 3.309830323652102e-09 ] [ -1.5278216672021517e-08 -2.1799771237496e-09 1.1384687445341743e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -182.12657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.917989348845653e-17 } }