{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.944405692493373e-09 1.68188106246091e-09 1.5762279284671852e-09 ] [ -1.4283459048437106e-09 -9.073422606265247e-10 -9.725206961290814e-09 ] [ -3.12430833740717e-09 -2.2875264158136634e-09 7.1829783624093605e-09 ] [ 4.069836234743194e-10 -1.4435435113979713e-09 1.9638851362354425e-09 ] [ -3.246977548419763e-10 -2.248809016683721e-09 1.1108507350005408e-09 ] [ -1.01839120504378e-09 -1.3327472302338163e-09 1.955958687839359e-09 ] [ 9.5506656800032e-09 -8.710202757623404e-10 -6.623240015554727e-09 ] [ -1.420628220061317e-09 1.3596759740055745e-10 5.159428649468312e-09 ] [ -4.286478071313231e-09 1.200985186245197e-09 4.7734487604043695e-09 ] [ 8.673178058093338e-10 -2.9303954590327874e-10 -5.37572313414696e-09 ] [ -2.6582880302449365e-09 9.60051788621238e-10 4.031636018226446e-09 ] [ -2.034447878533392e-09 -5.05230375603072e-12 -3.7033668514790445e-09 ] [ 7.250583486665314e-09 1.0845170556475141e-08 -6.221305331265535e-09 ] [ -9.209373701246612e-10 -2.5768175092949187e-10 -3.5160038313481537e-10 ] [ -4.082871543730023e-10 4.346671526521363e-10 1.7419578792110477e-09 ] [ 7.11389138499683e-09 1.2895971531341714e-08 -3.415241982360069e-09 ] [ 1.4294985107047143e-09 -2.2430195514644602e-09 3.8799702942952895e-10 ] [ 2.601514581251564e-09 -2.152798742899943e-09 2.0729489838195265e-10 ] [ -2.397300828729072e-09 6.349730361788352e-11 -3.4544533325422043e-09 ] [ -1.941437039601414e-09 -1.1177165424736551e-09 1.3909102470104084e-09 ] [ -1.7186913907591142e-09 2.6198554981181723e-09 -1.9759671501328953e-09 ] [ -1.8556268630562971e-09 -2.968624995381696e-10 -1.1763894199162842e-08 ] [ 4.863744230399417e-09 1.7511772841401172e-09 1.0717284017514574e-08 ] [ 9.499047234287252e-10 1.190711388881979e-09 2.723444227535996e-09 ] [ -8.022297971552552e-09 -3.0839322048217135e-09 -5.327906973987495e-10 ] [ 1.0799373779728533e-09 1.2064127197658189e-09 1.9136769263811226e-09 ] [ 5.857873674874422e-09 -1.5956781924260353e-09 -4.204135806063836e-09 ] [ 2.0905612307589946e-09 -4.797974239244928e-11 2.5107318893461324e-09 ] [ -2.616077405428664e-09 1.7828723431410932e-09 2.9485487610170996e-09 ] [ -1.188814571980614e-09 3.9078641892634177e-10 -1.9579950543243953e-09 ] [ -1.6898128461051413e-08 8.711603861078295e-09 -2.935813522087404e-07 ] [ 1.4950844758525375e-08 -7.8761815465652e-09 2.9372167996959683e-07 ] [ -3.921362847728981e-09 6.370549044799028e-10 2.4200307482306998e-09 ] [ -1.961789168780112e-09 -2.1884756914565934e-09 -3.6062198333828087e-09 ] [ 6.063020054407882e-09 -2.7191394993912307e-09 -7.230031245626676e-09 ] [ -3.4179844280818926e-09 -8.235237498387246e-10 6.39089380396527e-09 ] [ 4.963427814521702e-10 -9.282418535565504e-10 9.381378576725838e-10 ] [ -9.565729825244948e-10 1.0550456415567802e-09 -2.184018275879866e-10 ] [ -5.149077466974309e-09 1.7790479475472434e-09 6.418835443796698e-10 ] [ -2.296958910233299e-09 -1.493576923782962e-09 3.8816045144485056e-10 ] [ 5.876386505292442e-09 -8.555410065581434e-10 -1.310001929836629e-09 ] [ -7.497871116767365e-09 -2.4640550369817177e-09 -9.919201230237533e-09 ] [ 2.1943491107307842e-10 -2.9816612656744975e-09 1.0611821862974048e-08 ] [ -3.4277343136901086e-09 1.0732953945736646e-09 8.407043703965492e-10 ] [ 3.012414405040105e-09 -9.730265353318002e-10 3.0132122889972634e-09 ] [ -1.3908564138759496e-09 -5.7949110175949e-10 -2.4090535953309507e-10 ] [ 4.821181767597216e-10 2.097279637982995e-09 3.1433558141635507e-09 ] [ 6.095764539095482e-10 -1.4944206299914753e-09 -2.9269546245219574e-09 ] [ 4.223939670402897e-09 2.7655837157103054e-09 -4.5725976561736135e-09 ] [ 1.739551409926606e-09 9.46159315142281e-10 4.539045994904454e-09 ] [ -8.960451530556019e-10 -1.5372371980057344e-10 -1.3338655495151347e-09 ] [ 2.4734655815816486e-09 6.352282629145287e-10 -1.503476612905223e-09 ] [ 1.3335085845640205e-09 7.654985202515213e-10 -8.738843266896826e-10 ] [ 2.6479982111155106e-09 1.8473961613199233e-09 -2.6097011910873333e-08 ] [ -7.268990893861684e-09 -3.728730108474618e-09 2.3648324311167683e-08 ] [ 3.9477825799883125e-09 -8.41192713830569e-10 2.1569530266600156e-09 ] [ -3.900453161086245e-09 -1.3922299759147275e-08 5.172555122304864e-09 ] [ 2.902449333106821e-09 2.289091742372185e-09 -2.4233546238482115e-09 ] [ -4.1208239035235323e-10 5.938967043447903e-09 4.737852561549408e-10 ] [ -5.100138341221325e-09 -8.228765505927523e-09 4.824450368121311e-09 ] [ 2.0027839017588594e-09 8.576562001329236e-10 7.876763296896212e-10 ] [ 3.2911192767170862e-09 2.42165375314757e-09 -4.192056035213652e-09 ] [ 2.15411877621782e-09 1.349929933621248e-09 3.382008673585463e-09 ] [ 2.3161757370584984e-09 1.0629640790697601e-10 -5.670407474569152e-11 ] ] "source-value" [ [ -1.8377535 1.0497476 0.9838041 ] [ -0.8915034 -0.5663185 -6.0699968 ] [ -1.9500399 -1.4277617 4.4832625 ] [ 0.2540192 -0.900989 1.2257607 ] [ -0.2026604 -1.4035962 0.6933385 ] [ -0.6356298 -0.8318354 1.2208134 ] [ 5.9610567 -0.5436481 -4.1339013 ] [ -0.8866864 0.0848643 3.2202621 ] [ -2.6754092 0.749596 2.9793524 ] [ 0.5413372 -0.1829009 -3.3552625 ] [ -1.6591729 0.5992172 2.5163493 ] [ -1.2698025 -0.0031534 -2.3114598 ] [ 4.5254583 6.7690231 -3.8830334 ] [ -0.5748039 -0.1608323 -0.2194517 ] [ -0.2548328 0.2712979 1.0872446 ] [ 4.4401418 8.0490324 -2.1316264 ] [ 0.8922228 -1.3999827 0.2421687 ] [ 1.6237377 -1.3436713 0.1293833 ] [ -1.4962775 0.0396319 -2.1561002 ] [ -1.2117497 -0.6976238 0.8681379 ] [ -1.0727228 1.6351852 -1.2333017 ] [ -1.1581912 -0.185287 -7.3424453 ] [ 3.0357104 1.0929989 6.6892026 ] [ 0.5928839 0.7431836 1.6998402 ] [ -5.0071246 -1.9248391 -0.3325418 ] [ 0.6740439 0.7529836 1.1944232 ] [ 3.6561972 -0.995944 -2.6240152 ] [ 1.3048257 -0.0299466 1.5670756 ] [ -1.6328271 1.1127814 1.8403394 ] [ -0.7419997 0.2439097 -1.2220844 ] [ -10.5469823 5.4373555 -183.2390689 ] [ 9.3315834 -4.9159259 183.3266546 ] [ -2.4475222 0.3976184 1.5104644 ] [ -1.2244525 -1.3659391 -2.2508254 ] [ 3.7842395 -1.6971534 -4.5126306 ] [ -2.1333381 -0.5140031 3.9888822 ] [ 0.3097928 -0.579363 0.5855396 ] [ -0.5970459 0.6585077 -0.1363157 ] [ -3.2138014 1.1103944 0.4006322 ] [ -1.433649 -0.9322174 0.2422707 ] [ 3.667752 -0.5339867 -0.8176389 ] [ -4.6798031 -1.5379422 -6.1910785 ] [ 0.1369605 -1.8610066 6.6233783 ] [ -2.1394235 0.6698983 0.5247264 ] [ 1.8802012 -0.6073154 1.8806992 ] [ -0.8681043 -0.3616899 -0.1503613 ] [ 0.3009145 1.309019 1.9619284 ] [ 0.3804677 -0.932744 -1.8268614 ] [ 2.6363758 1.7261416 -2.853991 ] [ 1.0857426 0.5905462 2.8330497 ] [ -0.5592674 -0.0959468 -0.8325334 ] [ 1.5438158 0.3964783 -0.9383963 ] [ 0.8323106 0.4777866 -0.5454357 ] [ 1.6527505 1.153054 -16.2884738 ] [ -4.5369473 -2.3272903 14.7601232 ] [ 2.4640121 -0.5250312 1.3462642 ] [ -2.4344714 -8.6896161 3.228455 ] [ 1.8115664 1.4287387 -1.512539 ] [ -0.2572016 3.7068117 0.2957135 ] [ -3.183256 -5.1359915 3.0111851 ] [ 1.2500394 0.5353069 0.4916289 ] [ 2.0541551 1.5114774 -2.6164756 ] [ 1.3444952 0.84256 2.1108838 ] [ 1.4456432 0.066345 -0.0353919 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.028060180732646e-16 "source-value" -641.6647 } }