{ "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" [ [ 2.0329049 -1.0152719 -1.7677236 ] [ -1.6338234 0.4291883 -2.6494741 ] [ -1.3758643 2.8139219 5.2993034 ] [ -0.5545954 2.0545832 -0.9903194 ] [ 0.4849225 2.4192787 -1.7231625 ] [ -2.4893427 -0.6126301 -1.3774229 ] [ 3.8225272 1.3064348 4.1985944 ] [ 0.8779976 -0.1078418 -4.5051751 ] [ 3.802272 -0.5955066 2.2886474 ] [ -0.6254786 -0.0939904 -1.7894104 ] [ 1.1371105 -0.9848214 3.625431 ] [ 2.6206082 -1.1419469 -4.0123148 ] [ 0.9471889 5.1754753 1.0218618 ] [ 0.2525801 -1.0628944 0.0303067 ] [ 0.7327629 -0.3225308 -2.1101707 ] [ 2.3425903 3.4668391 -1.5114905 ] [ -0.6007725 1.9963641 -0.8377052 ] [ 4.2176192 2.192674 -0.2975156 ] [ 5.3876003 0.5406501 2.798942 ] [ 1.7743153 1.5050747 -0.9793318 ] [ 1.2613167 -2.3290418 1.5405074 ] [ 3.6879466 -1.9624882 -3.5251479 ] [ -1.3367815 -0.7906001 6.0764128 ] [ -1.1598731 -1.1006506 -2.6596323 ] [ -5.2288707 -0.0595153 -0.1599989 ] [ -1.0743385 4.1110068 -1.6561353 ] [ -4.1331927 0.3489279 3.2571426 ] [ -1.4623676 -0.191771 -1.9856272 ] [ 2.5488563 -0.4963399 -2.8382165 ] [ 1.2336972 0.3620262 2.2101028 ] [ 1.7334523 0.6461917 -7.6219538 ] [ 0.9631793 -1.0677307 7.633278 ] [ 2.9308993 -0.1046537 -1.4387652 ] [ 1.2949304 1.7195858 1.940273 ] [ -2.0451632 1.9835047 -3.0901724 ] [ 0.0282423 1.6956857 3.6574108 ] [ -0.4261333 0.07028 0.126 ] [ 1.7509018 -0.6437737 -0.0333429 ] [ 3.8046842 -1.352868 -0.1573448 ] [ 3.5843717 -1.9056958 -1.1038365 ] [ 5.5584762 0.1285917 1.5243989 ] [ 3.2806655 2.0374421 -3.5750237 ] [ 2.1425376 0.9846347 3.2924686 ] [ 0.5427378 1.1546389 -0.27309 ] [ -0.2173726 4.1098966 0.4139362 ] [ 0.8115565 1.0943135 -0.0793366 ] [ -0.4212409 -0.7107031 -2.2584539 ] [ -0.4492989 1.2153807 -0.2867241 ] [ -3.491985 -3.0562831 -2.63703 ] [ -2.8224864 -1.6242326 2.1283466 ] [ -0.04705 1.9061149 1.4186029 ] [ -1.5590907 -0.4573546 0.7100541 ] [ -1.5597376 -1.1051469 -0.1017331 ] [ -4.1318005 -0.4356629 -2.0708385 ] [ -5.049819 1.3345455 5.6669964 ] [ -2.6679048 0.2444846 -1.4839246 ] [ -4.9173737 -4.0634195 1.4542825 ] [ -2.6848009 -2.3321055 2.424847 ] [ -0.1150216 -5.1322315 -1.1643736 ] [ -4.5635914 -6.530791 0.2025409 ] [ -2.0609655 -0.5868083 -0.7076215 ] [ -2.5847333 -2.575269 -1.8075463 ] [ -1.9250524 -2.6424076 1.9523661 ] [ -2.175529 0.1472426 0.3740318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.257072703089762e-09 -1.6266449019351954e-09 -2.832205423956411e-09 ] [ -2.617673653995967e-09 6.876354601808967e-10 -4.244925460435121e-09 ] [ -2.2043776148533574e-09 4.5083998809371155e-09 8.490420014005951e-09 ] [ -8.885597838832243e-10 3.291805168528451e-09 -1.5866665898046836e-09 ] [ 7.76931492399888e-10 3.876111772339417e-09 -2.76081067133928e-09 ] [ -3.988366675099148e-09 -9.81541623418366e-10 -2.2068747673345364e-09 ] [ 6.124363712212086e-09 2.093139293159524e-09 6.726889787901804e-09 ] [ 1.4067072278385101e-09 -1.7278161070498945e-10 -7.218086217830302e-09 ] [ 6.091911304322458e-09 -9.541067520520973e-10 3.666817357534706e-09 ] [ -1.0021271897307149e-09 -1.5058922145964033e-10 -2.8669515078963765e-09 ] [ 1.8218518583661982e-09 -1.577857822743525e-09 5.808580788523565e-09 ] [ 4.19867719031677e-09 -1.8296006253750356e-09 -6.428436967849829e-09 ] [ 1.5175639110612691e-09 8.292025527187866e-09 1.6372030856486054e-09 ] [ 4.0467793109932606e-10 -1.7029445580592436e-09 4.855668619359936e-11 ] [ 1.1740155869696084e-09 -5.167513072479206e-10 -3.3808661614371705e-09 ] [ 3.753243410772858e-09 5.554488554095313e-09 -2.4216747416613025e-09 ] [ -9.62543653919568e-10 3.1985278876244337e-09 -1.3421516865625884e-09 ] [ 6.757370877677199e-09 3.513051019836019e-09 -4.766725386432845e-10 ] [ 8.631887242875067e-09 8.662169502531822e-10 4.4843994353751934e-09 ] [ 2.8427664915877384e-09 2.411395496897574e-09 -1.5690625139659815e-09 ] [ 2.0208521281646077e-09 -3.73153632082595e-09 2.468164940449394e-09 ] [ 5.90874182127885e-09 -3.1442527126358744e-09 -5.647909550242216e-09 ] [ -2.1417600664179555e-09 -1.2666809966221421e-09 9.735486526489867e-09 ] [ -1.8583215639148206e-09 -1.7634366589894927e-09 -4.261200690984532e-09 ] [ -8.377574388726131e-09 -9.535402223989824e-11 -2.563464969337171e-10 ] [ -1.721280027525341e-09 6.586558982909822e-09 -2.6534212585415945e-09 ] [ -6.622104713201229e-09 5.590441237248403e-10 5.218517724331726e-09 ] [ -2.342971179735406e-09 -3.072510127474368e-10 -3.1813254774645656e-09 ] [ 4.083717973638792e-09 -7.952241837502099e-10 -4.547324121068804e-09 ] [ 1.9766008109864216e-09 5.80029913757065e-10 3.5409750357246183e-09 ] [ 2.777296748331988e-09 1.0353132342950075e-09 -1.221171618317772e-08 ] [ 1.5431833560985095e-09 -1.7106931648504186e-09 1.2229859551666982e-08 ] [ 4.695818336379086e-09 -1.6767371142021696e-10 -2.305155966260636e-09 ] [ 2.0747072124431924e-09 2.7550801662196648e-09 3.1086600385694785e-09 ] [ -3.276712664760515e-09 3.1779248575869176e-09 -4.9510019735214264e-09 ] [ 4.524915277761984e-11 2.7167879847648827e-09 5.859818076421425e-09 ] [ -6.827408106043527e-10 1.1260097290982399e-10 2.018742542208e-10 ] [ 2.8052539292766375e-09 -1.031439171225913e-09 -5.3421214849672323e-11 ] [ 6.095776074767152e-09 -2.1675334806284542e-09 -2.5209415996445184e-10 ] [ 5.742796537997152e-09 -3.0532612571167525e-09 -1.7685410334856994e-09 ] [ 8.905660614913226e-09 2.0602661536892736e-10 2.442356278353237e-09 ] [ 5.256205564765143e-09 3.2643420988536556e-09 -5.727819390945913e-09 ] [ 3.432723651904942e-09 1.5775586963684218e-09 5.275116215638107e-09 ] [ 8.695618143844263e-10 1.8499354510462291e-09 -4.3753841337427204e-10 ] [ -3.482692977225101e-10 6.5847802464254095e-09 6.63198902142793e-10 ] [ 1.3002568507582753e-09 1.7532835055258207e-09 -1.2711124569376127e-10 ] [ -6.749023217047507e-10 -1.1386718911500845e-09 -3.6184420377345816e-09 ] [ -7.198561933311572e-10 1.9472545429115387e-09 -4.593826496399213e-10 ] [ -5.594776727184288e-09 -4.896705329366149e-09 -4.2249878143482245e-09 ] [ -4.522121722605957e-09 -2.6023074984611983e-09 3.4099871634791695e-09 ] [ -7.538241000864e-11 3.05393272933853e-09 2.27285240057908e-09 ] [ -2.4979386692467067e-09 -7.327628475353357e-10 1.1376320785231853e-09 ] [ -2.4989751173027023e-09 -1.7706405257295956e-09 -1.629943943815085e-10 ] [ -6.61987416290975e-09 -6.980089129299284e-10 -3.3178490301525405e-09 ] [ -8.090701941071635e-09 2.1381775994938463e-09 9.079529142237766e-09 ] [ -4.2744546970801005e-09 3.917075102656397e-10 -2.3775093011499918e-09 ] [ -7.878501177876794e-09 -6.510315723402826e-09 2.330017421538576e-09 ] [ -4.301525233482799e-09 -3.736444909339095e-09 3.885033172417018e-09 ] [ -1.842849184070093e-10 -8.222741321833315e-09 -1.865532159796731e-09 ] [ -7.311679447963941e-09 -1.0463480655531053e-08 3.2450629473579074e-10 ] [ -3.3020307403753824e-09 -9.401705391513925e-10 -1.1337346236754272e-09 ] [ -4.141199264263233e-09 -4.126035784070995e-09 -2.8960084228735434e-09 ] [ -3.08427394909493e-09 -4.233603679344238e-09 3.128035320662475e-09 ] [ -3.4855817016724033e-09 2.359086513058061e-10 5.992650053957415e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 1654.5151 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.650825411980574e-16 } }