{ "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" [ [ 2.9087563 -1.9375696 -0.6823115 ] [ -4.4802788 1.94655 -6.3838414 ] [ -4.5435136 1.4130203 6.9427515 ] [ -0.414852 1.2830465 -1.7896729 ] [ 0.3353431 2.4420841 1.266864 ] [ -4.4824905 -1.4369118 -0.3816748 ] [ 12.301538 -0.9342694 2.1400596 ] [ -0.379748 -0.6674553 -2.4596807 ] [ 5.371307 -1.7755247 4.8652784 ] [ -0.5764354 -0.0879839 -5.5073417 ] [ 0.4165058 -0.0114668 4.4155575 ] [ 1.9971607 -1.0941037 -6.4337205 ] [ 4.9816279 12.7254053 -0.0596555 ] [ -0.4405441 -1.8128603 0.6429033 ] [ 0.6332169 0.4963809 -1.6606818 ] [ 5.757563 12.418062 -4.3364533 ] [ -2.2846368 1.5930885 0.2856383 ] [ 5.097495 1.4884132 -1.6470839 ] [ 4.8356329 0.4644884 2.7353202 ] [ 2.0953402 -0.8466398 0.1946478 ] [ -1.1422287 -3.0717982 1.3879115 ] [ 3.9865572 -3.8740754 -9.078845 ] [ -0.6399699 -2.1417827 10.7206165 ] [ -1.509653 -1.3528459 -2.5720739 ] [ -13.9992606 -1.8070205 0.7044767 ] [ -1.1241245 6.871158 -4.4458144 ] [ -2.2318923 1.0779328 3.6507448 ] [ -1.3795115 1.8720781 -0.2077323 ] [ 1.3529803 -1.1976394 -4.145769 ] [ -0.5282283 -1.1974958 3.303513 ] [ -2.1963616 3.3077222 -74.9867373 ] [ 2.5684831 -2.7009926 74.8108289 ] [ 2.7197834 0.5255802 -1.3087281 ] [ 1.0512844 -0.0787953 1.8650208 ] [ 0.9273642 3.4243045 -9.0652649 ] [ -1.3695912 -1.0662276 8.2930779 ] [ -1.3117168 1.7864461 0.6540885 ] [ 0.5294617 -1.4857976 1.1306565 ] [ 1.950123 -2.3148771 0.0855641 ] [ 4.263963 -3.3344626 1.5379481 ] [ 12.4211125 -0.9069064 1.0946831 ] [ 1.4961372 1.5043665 -11.1408986 ] [ 3.8206683 1.4750902 7.7368836 ] [ -2.2928843 4.1034558 -1.7436213 ] [ 1.0072142 8.0138492 0.8821385 ] [ 1.6507928 -0.8401955 0.9758091 ] [ -0.9483604 1.5511974 -0.0363661 ] [ -1.076227 -1.261972 1.115864 ] [ -1.9649781 -3.3353824 -5.6543903 ] [ -0.7551003 -1.1026832 4.7460647 ] [ 1.7574662 3.6334983 0.3965185 ] [ 0.4349395 -2.0432743 0.6887008 ] [ -0.4814607 0.6316316 0.8103382 ] [ -3.0466032 0.0606449 -13.6495342 ] [ -9.5639436 -0.178258 15.6561997 ] [ -0.9474544 0.3177326 -1.1335939 ] [ -8.3726026 -10.8248094 4.5418501 ] [ 0.0135627 -1.4224919 2.2320593 ] [ 1.3806981 -1.4954654 -1.7090595 ] [ -9.3935957 -12.2998433 2.3427682 ] [ -1.7980783 -0.1450998 -1.1753432 ] [ -0.840759 -0.4903675 -3.5479598 ] [ -1.2710601 -3.0589691 3.6038873 ] [ -2.2759333 -0.7929138 -1.5133831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.660341377860294e-09 -3.1043287398687264e-09 -1.0931835424094909e-09 ] [ -7.178198007165559e-09 3.1187169269127e-09 -1.0228041526241847e-08 ] [ -7.279511326181222e-09 2.26390810802767e-09 1.112351422896845e-08 ] [ -6.646661809681679e-10 2.055667122635481e-09 -2.8673721028830185e-09 ] [ 5.372788791931254e-10 3.91265008328292e-09 2.029739899255776e-09 ] [ -7.181741541226977e-09 -2.302186511078881e-09 -6.115104463466232e-10 ] [ 1.9709236745863094e-08 -1.4968646025411997e-09 3.428753486487386e-09 ] [ -6.08423372408232e-10 -1.0693812858994602e-09 -3.940842944640764e-09 ] [ 8.605782569440637e-09 -2.84470418742986e-09 7.795035370384905e-09 ] [ -9.235513288904437e-10 -1.409657487481926e-10 -8.823734187193838e-09 ] [ 6.673158606854771e-10 -1.8371839026751198e-11 7.0745030525834555e-09 ] [ 3.199804207883084e-09 -1.7529473833129458e-09 -1.0307956654786797e-08 ] [ 7.98144782066249e-09 2.038834702983976e-08 -9.5578648189587e-11 ] [ -7.058294632665594e-10 -2.9045224133662305e-09 1.0300446451814921e-09 ] [ 1.0145253214339145e-09 7.952898795438906e-10 -2.6607055764690614e-09 ] [ 9.224632907382943e-09 1.9895928775963308e-08 -6.947764151692192e-09 ] [ -3.660391698136531e-09 2.552409170594109e-09 4.576430100354822e-10 ] [ 8.16708738093183e-09 2.384700850777169e-09 -2.6389193388175926e-09 ] [ 7.747538042981659e-09 7.441924612440456e-10 4.3824661109482066e-09 ] [ 3.3571051087208865e-09 -1.3564665049744333e-09 3.1186015701950523e-10 ] [ -1.8300521338241958e-09 -4.921563300403259e-09 2.223679375359891e-09 ] [ 6.3871687959444646e-09 -6.2069530842342036e-09 -1.454591332270773e-08 ] [ -1.0253448202433165e-09 -3.4315141970454316e-09 1.717632125837486e-08 ] [ -2.418730762048002e-09 -2.1674980903827007e-09 -4.120916703501252e-09 ] [ -2.242928822659682e-08 -2.895166022258997e-09 1.1286961079374277e-09 ] [ -1.8010460076069329e-09 1.1008808796122172e-08 -7.122979950780729e-09 ] [ -3.5758856926645185e-09 1.727038745182195e-09 5.849138015257003e-09 ] [ -2.210221091634291e-09 2.9993997888431154e-09 -3.328238371870782e-10 ] [ 2.16771342292231e-09 -1.9188298626377796e-09 -6.642254221761545e-09 ] [ -8.463150396775422e-10 -1.9185997900731373e-09 5.292811338715242e-09 ] [ -3.5189592353348543e-09 5.299555220603075e-09 -1.2014199836195625e-07 ] [ 4.115163607643885e-09 -4.327467232326909e-09 1.1986016203375193e-07 ] [ 4.357573413021076e-09 8.420723157330469e-10 -2.0968135820792154e-09 ] [ 1.6843433013687095e-09 -1.262439885290202e-10 2.988092747683987e-09 ] [ 1.4858012524481028e-09 5.4863406576010525e-09 -1.4524155603800347e-08 ] [ -2.1943270187720208e-09 -1.7082849472458984e-09 1.3286975635321789e-08 ] [ -2.101602007385251e-09 2.8622021993204275e-09 1.0479653112681089e-09 ] [ 8.482911643379178e-10 -2.3805101975732785e-09 1.811511425380221e-09 ] [ 3.124441504025982e-09 -3.708842000201681e-09 1.3708880172923942e-10 ] [ 6.831621886840542e-09 -5.342398064666889e-09 2.4640645101246953e-09 ] [ 1.9900816215785324e-08 -1.4530242433050575e-09 1.7538756844546852e-09 ] [ 2.3970760630981847e-09 2.410260855272361e-09 -1.784968741868331e-08 ] [ 6.121385476524502e-09 2.3633550514823867e-09 1.2395854123897803e-08 ] [ -3.673605649925446e-09 6.574461001411777e-09 -2.793589305404704e-09 ] [ 1.6137350566730026e-09 1.2839601936639591e-08 1.413341692651809e-09 ] [ 2.6448616517354353e-09 -1.346141598091947e-09 1.5634185392645693e-09 ] [ -1.5194408734908935e-09 2.4852922290015517e-09 -5.82649156897074e-11 ] [ -1.7243057522799181e-09 -2.021902051162248e-09 1.787811227521776e-09 ] [ -3.1482419981417153e-09 -5.343871746734841e-09 -9.05933201817625e-09 ] [ -1.2098040569863901e-09 -1.7666932577443489e-09 7.60403396579222e-09 ] [ 2.815771280684771e-09 5.821506075938722e-09 6.35292675648729e-10 ] [ 6.96849904103643e-10 -3.2736863403127065e-09 1.1034203295771071e-09 ] [ -7.713850837292838e-10 1.0119853908160344e-09 1.2983049296776188e-09 ] [ -4.881196460109628e-09 9.716384175126661e-11 -2.1868964760223883e-08 ] [ -1.5323126964813843e-08 -2.85600802423572e-10 2.508399733657781e-08 ] [ -1.5179893014604896e-09 5.090637475800684e-10 -1.8162176590249324e-09 ] [ -1.3414388251487649e-08 -1.734325668818356e-08 7.2768461053505625e-09 ] [ 2.17298410339518e-11 -2.279083284234265e-09 3.576153256162396e-09 ] [ 2.2121222344281954e-09 -2.3959997208354636e-09 -2.738215197015723e-09 ] [ -1.5050199539782876e-08 -1.970652153712145e-08 3.753528468918239e-09 ] [ -2.880839038362442e-09 -2.324755091580732e-10 -1.8831074119707888e-09 ] [ -1.347044424625206e-09 -7.856553505729951e-10 -5.684458289931313e-09 ] [ -2.036462792629703e-09 -4.90100881614801e-09 5.774064023629348e-09 ] [ -3.6464471538025123e-09 -1.2703879631361492e-09 -2.4247070411104855e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -203.59439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.261941744714832e-17 } }