{ "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" [ 10.653812 0 0 ] "si-unit" "m" "si-value" [ 1.0653812e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.653812 0 ] "si-unit" "m" "si-value" [ 0.0 1.0653812e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.653812 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.0653812e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.180696 2.883052 2.210396 ] [ 1.949989 0.5148048000000001 5.073609 ] [ 0.1960316 0.2092503 3.5207 ] [ 3.726507 1.061643 3.643724 ] [ 0.8157098 3.777474 4.433079 ] [ 2.563057 4.854239 3.388675 ] [ 4.563141 1.004897 7.215366 ] [ 2.208881 2.7064 5.937311 ] [ 0.8889178000000001 3.610379 7.649405 ] [ 3.802175 4.357309 5.347654 ] [ 4.070741 5.326056 7.569212 ] [ 0.0548896 1.501805 8.144193 ] [ 0.2001664 1.660769 10.436042 ] [ 2.406777 2.534311 10.638262 ] [ 3.266728 0.8196492000000001 9.283271 ] [ 2.589299 4.328638 9.118915 ] [ 4.805804 6.239905 1.586761 ] [ 2.752093 7.347408 1.266655 ] [ 2.632959 9.681890999999998 1.201071 ] [ 4.685427 9.995082 2.363007 ] [ 4.693973 10.143382 -0.03256773 ] [ 1.630587 7.055271 3.319277 ] [ 3.007165 7.674286 5.153554 ] [ 1.018234 7.238601 6.559822 ] [ 1.919717 8.964642999999999 7.858748 ] [ 3.416486 9.771788999999998 6.251736 ] [ 1.832921 6.360191 10.016222 ] [ 3.442716 7.36639 8.615495 ] [ 1.248394 10.210592 9.860067999999998 ] [ 8.698037999999999 0.6846327000000001 0.376848 ] [ 7.673243 3.424225 1.626437 ] [ 5.284053 3.857601 1.708307 ] [ 9.819294999999999 4.523871 1.802069 ] [ 5.574299 1.391658 5.055161 ] [ 8.636206 2.554788 4.364419 ] [ 10.436372 2.450287 2.844555 ] [ 5.660764 3.570497 4.111349 ] [ 9.36263 4.706713 4.944606 ] [ 9.337477 0.485246 5.317944 ] [ 9.369928999999999 4.418332 7.211123 ] [ 6.831585 0.7961035000000001 7.948351 ] [ 6.444545 1.07895 10.211722 ] [ 8.566441999999999 2.424213 8.231551 ] [ 7.839797 3.899764 9.968582 ] [ 6.217084 4.963594 8.551431999999998 ] [ 5.461026 3.239779 10.007322 ] [ 9.738351 5.338129 10.214232 ] [ 7.830739 5.628432 2.326948 ] [ 8.20596 6.887997 0.3788454 ] [ 7.82538 9.166974999999999 0.8325483 ] [ 5.389998 7.088418 5.057369 ] [ 5.745726 7.948956999999999 2.931321 ] [ 7.081923 5.379492 4.577819 ] [ 7.263172 10.416522 4.454894 ] [ 8.024626 8.671983999999998 3.110479 ] [ 10.359812 8.53525 3.591574 ] [ 8.317056999999998 7.538668 6.564252 ] [ 6.469674 8.916993999999999 6.068724 ] [ 10.089512 8.880486999999999 5.880041 ] [ 6.043254 6.529905 10.275872 ] [ 9.884459999999999 6.555433 8.080228 ] [ 7.607516 9.191923 8.204424999999999 ] [ 5.480155 8.465874 9.129171999999999 ] [ 9.473484 9.508894 9.772131 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1806960000000005e-10 2.8830520000000003e-10 2.210396e-10 ] [ 1.949989e-10 5.1480480000000005e-11 5.073609000000001e-10 ] [ 1.960316e-11 2.092503e-11 3.5207e-10 ] [ 3.726507e-10 1.061643e-10 3.6437240000000005e-10 ] [ 8.157098e-11 3.777474e-10 4.4330790000000005e-10 ] [ 2.5630570000000004e-10 4.854239e-10 3.388675e-10 ] [ 4.563141e-10 1.004897e-10 7.215366e-10 ] [ 2.208881e-10 2.7064e-10 5.937311e-10 ] [ 8.889178000000001e-11 3.6103790000000003e-10 7.649405e-10 ] [ 3.8021750000000004e-10 4.357309e-10 5.347654000000001e-10 ] [ 4.070741e-10 5.326056e-10 7.569212000000001e-10 ] [ 5.48896e-12 1.5018050000000002e-10 8.144193e-10 ] [ 2.001664e-11 1.660769e-10 1.0436042e-09 ] [ 2.406777e-10 2.534311e-10 1.0638261999999999e-09 ] [ 3.2667280000000003e-10 8.196492000000002e-11 9.283270999999999e-10 ] [ 2.589299e-10 4.328638e-10 9.118915e-10 ] [ 4.805804e-10 6.239905000000001e-10 1.586761e-10 ] [ 2.752093e-10 7.347408e-10 1.266655e-10 ] [ 2.632959e-10 9.681890999999999e-10 1.201071e-10 ] [ 4.685426999999999e-10 9.995082e-10 2.363007e-10 ] [ 4.693973e-10 1.0143382e-09 -3.2567730000000006e-12 ] [ 1.630587e-10 7.055271e-10 3.319277e-10 ] [ 3.0071650000000004e-10 7.674286000000001e-10 5.153553999999999e-10 ] [ 1.0182340000000001e-10 7.238601000000001e-10 6.559822e-10 ] [ 1.919717e-10 8.964642999999999e-10 7.858748000000001e-10 ] [ 3.416486e-10 9.771788999999998e-10 6.251736e-10 ] [ 1.8329210000000002e-10 6.360191000000001e-10 1.0016222000000002e-09 ] [ 3.442716e-10 7.36639e-10 8.615494999999999e-10 ] [ 1.248394e-10 1.0210592000000001e-09 9.860067999999998e-10 ] [ 8.698037999999999e-10 6.846327000000002e-11 3.7684800000000004e-11 ] [ 7.673243e-10 3.424225e-10 1.626437e-10 ] [ 5.284053e-10 3.857601e-10 1.708307e-10 ] [ 9.819295e-10 4.523871e-10 1.802069e-10 ] [ 5.574299e-10 1.391658e-10 5.055161e-10 ] [ 8.636205999999999e-10 2.554788e-10 4.364419e-10 ] [ 1.0436372e-09 2.450287e-10 2.8445550000000003e-10 ] [ 5.660764000000001e-10 3.5704970000000003e-10 4.1113489999999997e-10 ] [ 9.36263e-10 4.706713e-10 4.944606000000001e-10 ] [ 9.337477e-10 4.8524600000000003e-11 5.317944e-10 ] [ 9.369929e-10 4.4183320000000005e-10 7.211123e-10 ] [ 6.831585e-10 7.961035e-11 7.948351e-10 ] [ 6.444545e-10 1.07895e-10 1.0211722e-09 ] [ 8.566441999999998e-10 2.4242130000000003e-10 8.231551e-10 ] [ 7.839797e-10 3.8997639999999997e-10 9.968582e-10 ] [ 6.217084e-10 4.963593999999999e-10 8.551431999999999e-10 ] [ 5.461026e-10 3.239779e-10 1.0007322e-09 ] [ 9.738351000000001e-10 5.338129e-10 1.0214232000000002e-09 ] [ 7.830739000000001e-10 5.628432000000001e-10 2.3269479999999998e-10 ] [ 8.20596e-10 6.887997e-10 3.788454e-11 ] [ 7.825380000000001e-10 9.166975e-10 8.325483e-11 ] [ 5.389998e-10 7.088418000000001e-10 5.057369e-10 ] [ 5.745726e-10 7.948957e-10 2.931321e-10 ] [ 7.081923e-10 5.379492e-10 4.577819e-10 ] [ 7.263172000000001e-10 1.0416522e-09 4.4548940000000005e-10 ] [ 8.024625999999999e-10 8.671983999999999e-10 3.1104790000000003e-10 ] [ 1.0359812e-09 8.53525e-10 3.5915740000000003e-10 ] [ 8.317056999999999e-10 7.538668e-10 6.564252e-10 ] [ 6.469674000000001e-10 8.916993999999999e-10 6.068723999999999e-10 ] [ 1.0089511999999999e-09 8.880486999999999e-10 5.880041e-10 ] [ 6.043254e-10 6.529905000000001e-10 1.0275872000000001e-09 ] [ 9.88446e-10 6.555433e-10 8.080228e-10 ] [ 7.607516000000001e-10 9.191922999999999e-10 8.204424999999999e-10 ] [ 5.480155e-10 8.465874e-10 9.129171999999999e-10 ] [ 9.473484e-10 9.508894e-10 9.772131e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.0353047 2.1321302 -2.4219436 ] [ 5.0063455 2.2013347 -3.2038923 ] [ -1.1048343 1.9118677 9.1622214 ] [ 3.5666605 -0.5674142 -1.2324249 ] [ -0.1889659 -0.6796907 -2.4880089 ] [ -1.6028499 -3.2221361 3.8558416 ] [ 5.4430584 -6.2078047 -2.4994153 ] [ -2.0654016 3.1142222 -2.9154621 ] [ 1.8574032 -2.8561384 0.2731943 ] [ -0.312854 -4.3966882 -2.6236038 ] [ -0.5337387 -0.3251443 7.0692546 ] [ -4.2556539 7.8309328 6.553097 ] [ 4.8380607 -5.2782821 -6.557051 ] [ 0.7451336 -1.9652412 -3.2246579 ] [ 1.6119312 -0.314324 8.4290208 ] [ -3.7304601 1.9924968 -1.1134479 ] [ 1.5216059 4.7357674 -3.3727649 ] [ -1.3490817 1.0171167 0.7992787 ] [ 8.7146386 -8.0555572 0.9189038 ] [ -5.8324596 -2.1176507 -3.5815748 ] [ -0.8199363 3.0360949 -3.856078 ] [ 9.4143227 0.8539964 2.3073606 ] [ -3.0764939 2.9276829 -4.1438034 ] [ -3.1151324 10.1112034 4.5693496 ] [ 4.9528666 -5.9839307 -3.2069179 ] [ -7.8759916 1.3108845 0.4367013 ] [ 10.8781389 -0.8992222 0.7050402 ] [ -0.1371218 -1.1346786 -0.6200011 ] [ 3.6128812 4.5399493 -2.702722 ] [ -0.1382328 -11.4577782 -7.2771364 ] [ -3.4162739 8.7112408 -7.4697936 ] [ -3.5164604 -1.1737234 0.1280667 ] [ -3.9753791 -1.9271727 -2.6713086 ] [ -5.0587283 1.9151351 -3.8888669 ] [ 8.6488919 -0.8673495 1.0313443 ] [ -2.424466 1.8811966 6.5355808 ] [ -1.2486443 3.6232172 6.7887761 ] [ -3.4428916 -7.4949489 2.811028 ] [ -3.9224547 0.2876524 -10.9008061 ] [ 4.9654356 1.3275519 1.1509118 ] [ -2.0083409 -0.7992535 7.8897349 ] [ -2.4603252 2.5190428 -6.5815597 ] [ 0.3010611 3.2297155 1.8604925 ] [ 1.3912252 -1.0028979 -0.0922755 ] [ -6.7641813 -3.1682422 11.1259045 ] [ 8.198126 -0.8159903 1.2197646 ] [ -10.3906573 0.958729 6.0306566 ] [ 2.3772633 -5.7835408 0.9624375 ] [ -1.2054377 -1.8362739 0.7763297 ] [ 8.3775993 -1.8303197 2.1303555 ] [ 4.20971 8.8918904 -5.5150705 ] [ -4.1918879 0.6843426 2.3826003 ] [ -1.2024846 -6.8514138 -8.2227499 ] [ 2.4940828 -4.5442968 5.986825 ] [ -1.0796037 6.1294409 -3.0706221 ] [ -2.5605087 5.8137755 6.2370492 ] [ 4.4849844 9.39726 4.1052078 ] [ 7.0258506 -5.8851365 -3.72787 ] [ -2.1137693 -8.0431036 -5.1694108 ] [ -0.6778964 1.0468742 -0.5495581 ] [ -4.250765 -5.1631419 -8.3645702 ] [ -5.9636851 3.1635898 -2.5906438 ] [ -2.3861479 -1.3034778 5.3176356 ] [ -10.272384 6.6556304 6.3060471 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.66962408974436e-09 3.4160491589416286e-09 -3.880381412816187e-09 ] [ 8.021049715747288e-09 3.5269269908957816e-09 -5.1332013386211406e-09 ] [ -1.7701396853179335e-09 3.063149731002668e-09 1.4679496921673445e-08 ] [ 5.7144200674308385e-09 -9.090977655499354e-10 -1.974562361671778e-09 ] [ -3.027567471084307e-10 -1.0889845489151866e-09 -3.986229691922325e-09 ] [ -2.5680486364316183e-09 -5.162431128455692e-09 6.1777392650280656e-09 ] [ 8.720740914129055e-09 -9.945999556832357e-09 -4.004504759329818e-09 ] [ -3.309138156082913e-09 4.989534000816342e-09 -4.671085215448472e-09 ] [ 2.975887982439107e-09 -4.576038170249119e-09 4.3770552039582146e-10 ] [ -5.012473645237632e-10 -7.044271042987234e-09 -4.203476670602039e-09 ] [ -8.55143666756185e-10 -5.209385958463814e-10 1.1326194446602855e-08 ] [ -6.818309184796342e-09 1.2546537451215883e-08 1.0499218807234618e-08 ] [ 7.751427743551283e-09 -8.456740178607128e-09 -1.0505553813593262e-08 ] [ 1.193835633292539e-09 -3.1486635048729367e-09 -5.166471497458025e-09 ] [ 2.582598482978089e-09 -5.036025641563392e-10 1.3504780061996912e-08 ] [ -5.9768559570472305e-09 3.1923317899788136e-09 -1.7839401938588562e-09 ] [ 2.437881399051343e-09 7.587535809826802e-09 -5.40376507023485e-09 ] [ -2.1614671592891195e-09 1.6296005973652476e-09 1.280585646643417e-09 ] [ 1.3962390223641245e-08 -1.2906425413357112e-08 1.4722461851242792e-09 ] [ -9.34463041288052e-09 -3.3928504425607545e-09 -5.7383154102064354e-09 ] [ -1.3136827704052551e-09 4.864360267310115e-09 -6.1781180195812225e-09 ] [ 1.508340773060673e-08 1.3682530663273652e-09 3.6967992090750606e-09 ] [ -4.929086600613814e-09 4.690665095495945e-09 -6.639104928671552e-09 ] [ -4.9909923019765934e-09 1.6199933695633472e-08 7.320905101381832e-09 ] [ 7.935367072461186e-09 -9.587313868027379e-09 -5.138048884205033e-09 ] [ -1.2618729607137186e-08 2.1002684984690977e-09 6.996726131329671e-10 ] [ 1.742869982339503e-08 -1.4407127857443418e-09 1.1295989251641562e-09 ] [ -2.1969334216201343e-10 -1.817955525042075e-09 -9.933512672902828e-10 ] [ 5.788473792367849e-09 7.273800628077325e-09 -4.330238000921818e-09 ] [ -2.2147336038772224e-10 -1.8357384358351906e-08 -1.1659257806452677e-08 ] [ -5.473474172829238e-09 1.395694634791909e-08 -1.1967928668121467e-08 ] [ -5.633990640849016e-09 -1.8805121907658867e-09 2.0518547264300736e-10 ] [ -6.369259452836946e-09 -3.0876710441840123e-09 -4.279908185861979e-09 ] [ -8.10497621323933e-09 3.06838468289347e-09 -6.2306516285829716e-09 ] [ 1.3857052398006493e-08 -1.3896470909625697e-09 1.6523957254553415e-09 ] [ -3.884422743124492e-09 3.0140092116484494e-09 1.047115476110936e-08 ] [ -2.0005487051551816e-09 5.805033889920438e-09 1.0876818351265803e-08 ] [ -5.5161204294687054e-09 -1.2008231901670677e-08 4.5037633420141825e-09 ] [ -6.284465216487077e-09 4.608699501970099e-10 -1.7465016681294027e-08 ] [ 7.95550483040802e-09 2.1269726170786196e-09 1.8439639785628455e-09 ] [ -3.2177168365764305e-09 -1.2805452717925727e-09 1.2640748801089825e-08 ] [ -3.941875515005084e-09 4.03595148095457e-09 -1.0544821079739462e-08 ] [ 4.823530558523309e-10 5.174574665935383e-09 2.9808375866737443e-09 ] [ 2.2289884897078045e-09 -1.6068195684294164e-09 -1.478416487726304e-10 ] [ -1.0837413137712551e-08 -5.076083581871958e-09 1.7825664075153517e-08 ] [ 1.3134845811572621e-08 -1.3073605814595782e-09 1.954278324999464e-09 ] [ -1.6647668200804855e-08 1.5360531894829633e-09 9.662177012593219e-09 ] [ 3.808795680745857e-09 -9.266253855202929e-09 1.5419948614812e-09 ] [ -1.9313241007709244e-09 -2.942035111965237e-09 1.2438172953726777e-09 ] [ 1.3422393736890446e-08 -2.9324954319296697e-09 3.4132057760926944e-09 ] [ 6.744698942347969e-09 1.424637891359596e-08 -8.836117017163768e-09 ] [ -6.716144790394409e-09 1.096437714337486e-09 3.817346497371066e-09 ] [ -1.9265927129920396e-09 -1.0977175009786489e-08 -1.317429764846554e-08 ] [ 3.995961152499403e-09 -7.2807660909362535e-09 9.591951047820959e-09 ] [ -1.7297158078691772e-09 9.82044690855531e-09 -4.9196789399318e-09 ] [ -4.1023871764950014e-09 9.31469518467983e-09 9.992854411019345e-09 ] [ 7.1857371503327156e-09 1.5056070271579007e-08 6.577267960685802e-09 ] [ 1.1256653572553653e-08 -9.42902811051674e-09 -5.972706159381696e-09 ] [ -3.3866317542247816e-09 -1.2886472546592315e-08 -8.282309127071024e-09 ] [ -1.086109763404485e-09 1.6772773681587033e-09 -8.804891395912686e-10 ] [ -6.810476303514913e-09 -8.272265242052893e-09 -1.340151881748038e-08 ] [ -9.55487684103331e-09 5.068629615361348e-09 -4.150668929180471e-09 ] [ -3.823030379151016e-09 -2.0884016568918183e-09 8.51979143625378e-09 ] [ -1.6458173484679988e-08 1.0663495423565752e-08 1.010340123328364e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -98.681036 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.581044487955232e-17 } }