{ "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" [ [ 4.6603413394647106e-09 -3.1043287142928077e-09 -1.0931835334029792e-09 ] [ -7.178197948025879e-09 3.11871690121824e-09 -1.022804144197514e-08 ] [ -7.279511266206843e-09 2.2639080893758023e-09 1.1123514137324131e-08 ] [ -6.646661754921217e-10 2.055667105699267e-09 -2.8673720792593366e-09 ] [ 5.372788747665965e-10 3.91265005104741e-09 2.029739882533171e-09 ] [ -7.181741482058102e-09 -2.3021864921116455e-09 -6.115104413085159e-10 ] [ 1.9709236583482792e-08 -1.4968645902088436e-09 3.4287534582385994e-09 ] [ -6.084233673955584e-10 -1.0693812770890503e-09 -3.940842912172978e-09 ] [ 8.605782498539386e-09 -2.844704163992934e-09 7.795035306163231e-09 ] [ -9.235513212814964e-10 -1.4096574758680512e-10 -8.823734114496927e-09 ] [ 6.673158551876006e-10 -1.837183887538944e-11 7.074502994298097e-09 ] [ 3.1998041815205628e-09 -1.752947368870777e-09 -1.0307956569861686e-08 ] [ 7.981447754905e-09 2.0388346861864413e-08 -9.55786474021344e-11 ] [ -7.058294574513773e-10 -2.9045223894364744e-09 1.0300446366951687e-09 ] [ 1.0145253130754515e-09 7.952898729916628e-10 -2.6607055545480618e-09 ] [ 9.22463283138311e-09 1.9895928612044893e-08 -6.947764094451008e-09 ] [ -3.6603916679793254e-09 2.5524091495653406e-09 4.5764300626505666e-10 ] [ 8.167087313644896e-09 2.384700831130115e-09 -2.638919317076085e-09 ] [ 7.747537979151306e-09 7.441924551127988e-10 4.3824660748419804e-09 ] [ 3.3571050810623962e-09 -1.356466493798788e-09 3.1186015445015424e-10 ] [ -1.830052118746777e-09 -4.921563259855523e-09 2.2236793570394593e-09 ] [ 6.38716874332191e-09 -6.206953033096409e-09 -1.4545913202866975e-08 ] [ -1.025344811795714e-09 -3.4315141687739e-09 1.7176321116862725e-08 ] [ -2.4187307421205825e-09 -2.1674980725251348e-09 -4.120916669549877e-09 ] [ -2.242928804180658e-08 -2.8951659984063265e-09 1.1286960986383354e-09 ] [ -1.8010459927684896e-09 1.1008808705422887e-08 -7.1229798920959796e-09 ] [ -3.57588566320354e-09 1.7270387309534822e-09 5.849137967067172e-09 ] [ -2.2102210734247393e-09 2.9993997641316844e-09 -3.3282383444501187e-10 ] [ 2.1677134050629703e-09 -1.9188298468289395e-09 -6.642254167037394e-09 ] [ -8.463150327049286e-10 -1.9185997742661927e-09 5.292811295108871e-09 ] [ -3.518959206342881e-09 5.299555176941143e-09 -1.2014199737213133e-07 ] [ 4.115163573739908e-09 -4.327467196673806e-09 1.19860161046249e-07 ] [ 4.357573377119935e-09 8.420723087953883e-10 -2.0968135648040045e-09 ] [ 1.6843432874917555e-09 -1.2624398748892224e-10 2.988092723065713e-09 ] [ 1.4858012402068954e-09 5.486340612400234e-09 -1.4524155484138851e-08 ] [ -2.194327000693417e-09 -1.708284933171694e-09 1.3286975525853162e-08 ] [ -2.1016019900705894e-09 2.862202175739339e-09 1.0479653026341407e-09 ] [ 8.482911573490234e-10 -2.38051017796075e-09 1.8115114104555552e-09 ] [ 3.1244414782843587e-09 -3.7088419696453038e-09 1.3708880059979328e-10 ] [ 6.831621830556231e-09 -5.342398020651983e-09 2.4640644898237806e-09 ] [ 1.990081605182664e-08 -1.453024231333893e-09 1.7538756700048685e-09 ] [ 2.397076043349174e-09 2.410260835414723e-09 -1.7849687271623452e-08 ] [ 6.121385426091681e-09 2.363355032011196e-09 1.239585402177094e-08 ] [ -3.6736056196593733e-09 6.574460947246161e-09 -2.793589282388903e-09 ] [ 1.6137350433777754e-09 1.2839601830856783e-08 1.4133416810075809e-09 ] [ 2.6448616299449705e-09 -1.3461415870013664e-09 1.5634185263838894e-09 ] [ -1.5194408609725363e-09 2.485292208525746e-09 -5.826491520967488e-11 ] [ -1.7243057380737218e-09 -2.021902034504218e-09 1.7878112127923712e-09 ] [ -3.1482419722040047e-09 -5.343871702707794e-09 -9.0593319435383e-09 ] [ -1.2098040470190662e-09 -1.7666932431889306e-09 7.604033903144165e-09 ] [ 2.815771257486217e-09 5.821506027976545e-09 6.352926704146849e-10 ] [ 6.968498983624416e-10 -3.273686313341486e-09 1.1034203204862568e-09 ] [ -7.713850773740026e-10 1.0119853824784972e-09 1.2983049189811546e-09 ] [ -4.881196419894467e-09 9.716384095075392e-11 -2.1868964580050032e-08 ] [ -1.5323126838569786e-08 -2.856008000705664e-10 2.5083997129915975e-08 ] [ -1.5179892889540915e-09 5.090637433859981e-10 -1.816217644061493e-09 ] [ -1.3414388140969296e-08 -1.7343256545296075e-08 7.276846045398141e-09 ] [ 2.172984085492416e-11 -2.2790832654573717e-09 3.5761532266992135e-09 ] [ 2.212122216202981e-09 -2.3959997010953206e-09 -2.7382151744561376e-09 ] [ -1.5050199415787413e-08 -1.970652137476352e-08 3.753528437993699e-09 ] [ -2.880839014627809e-09 -2.3247550724275585e-10 -1.8831073964562587e-09 ] [ -1.3470444135271874e-09 -7.85655344100144e-10 -5.684458243098244e-09 ] [ -2.03646277585171e-09 -4.901008775769617e-09 5.774063976058035e-09 ] [ -3.646447123760193e-09 -1.2703879526696871e-09 -2.4247070211338284e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -203.59439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.261941717840373e-17 } }