{ "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" [ [ 0.5014664 -0.0205292 -0.3474601 ] [ 0.6432083 0.1660413 -0.4121742 ] [ 0.7344734 -0.2336001 0.1712746 ] [ 0.3166786 0.0009022 -0.2765977 ] [ 0.0284295 0.2058912 -0.4926018 ] [ -0.6371735 0.1895156 -0.0299483 ] [ 0.1380323 0.105574 -0.0374975 ] [ -0.4741099 -0.0465557 0.1049123 ] [ 0.8064192 -0.5676359 -0.0815821 ] [ 0.1097401 0.2468313 0.1119904 ] [ 0.7805705 -0.1059484 -0.3760275 ] [ 0.0345339 -0.4905293 -0.0547204 ] [ -0.3080638 0.0345251 1.0448194 ] [ -0.0665536 0.4536167 -0.0202882 ] [ 0.4718766 -0.2291828 0.3229009 ] [ -0.7446101 0.1981054 0.2213207 ] [ 0.5835252 0.3338228 -0.6206352 ] [ -0.7070991 -0.6142511 0.5018779 ] [ -0.3590694 -0.7638162 -0.7883143 ] [ -0.0453042 -0.2262708 0.3675761 ] [ 1.1203935 0.6369338 -0.5264769 ] [ 0.0854541 0.1968101 -0.4026673 ] [ 0.3773366 -0.4501065 0.4390939 ] [ 0.0913357 -0.0446791 0.5867084 ] [ 0.7320671 -0.0236012 0.1363053 ] [ -0.4876529 0.4646226 -0.052018 ] [ -1.4819908 -0.2479114 0.540873 ] [ -0.1584711 0.0617389 -0.5948417 ] [ -0.392005 -0.383644 -0.6397942 ] [ -0.5314434 1.3442466 0.7650207 ] [ -0.6040175 -1.2740687 -0.3943689 ] [ -0.6394674 0.377929 0.3706605 ] [ 1.2481293 -0.1741543 0.021016 ] [ 0.051148 0.1242416 -0.5209592 ] [ -0.2520286 -0.2681479 -0.388739 ] [ -0.2433465 -0.3562952 -0.7057348 ] [ 0.1657848 0.1964671 0.5975572 ] [ -0.5723873 0.0565292 0.7813682 ] [ -0.4747986 0.0600166 0.5060658 ] [ 0.4653514 0.789857 0.1729622 ] [ 0.2518013 -0.3379945 -0.3136018 ] [ 0.0062784 0.4433603 -0.1173845 ] [ -0.7635765 -0.2603909 -0.1733112 ] [ 0.819429 -1.0491774 -0.965632 ] [ -0.7278219 0.236347 -0.3250222 ] [ -0.0358848 -0.5673272 1.165036 ] [ 1.9880064 0.7933566 -1.0817216 ] [ -0.5816196 1.3734225 1.3183348 ] [ -0.7705879 0.4722114 0.264064 ] [ -0.1050852 -0.253386 0.5966646 ] [ -0.362004 0.1944016 0.1195973 ] [ 0.1107083 -0.3495636 0.1833841 ] [ -0.2444154 0.2528981 -0.0926852 ] [ -0.2084437 0.6775461 0.8037098 ] [ 0.028368 -0.5896657 -0.8028674 ] [ -0.0962716 -0.2610389 -0.550664 ] [ 0.1329739 0.2024948 0.4638185 ] [ -0.5976503 0.1041629 -0.2512028 ] [ 0.3315131 -0.1694026 -0.2483284 ] [ 0.5325554 0.5331511 -0.4244375 ] [ 0.121305 -0.6486095 -0.1546599 ] [ -0.3956198 0.0957636 0.063859 ] [ -0.1884517 -0.0792483 1.0594306 ] [ 0.4481318 -0.5366024 -0.5372364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.034377421967411e-10 -3.289140428372736e-11 -5.566924488808301e-10 ] [ 1.0305333005645127e-09 2.6602748894723906e-10 -6.603758669369433e-10 ] [ 1.176756110079487e-09 -3.742686188365421e-10 2.744121598568717e-10 ] [ 5.073750492276748e-10 1.44548374728576e-12 -4.4315836830705217e-10 ] [ 4.55490802410336e-11 3.2987406706845697e-10 -7.892350873239974e-10 ] [ -1.0208644850933088e-09 3.036374635968845e-10 -4.7982466092704646e-11 ] [ 2.2115212397525183e-10 1.691481945643392e-10 -6.0077617838448e-11 ] [ -7.596077974698259e-10 -7.459045410497857e-11 1.6808803429435584e-10 ] [ 1.2920259888042393e-09 -9.094529681067667e-10 -1.3070893329576769e-10 ] [ 1.7582302258425407e-10 3.9546733814167105e-10 1.7942840063404033e-10 ] [ 1.2506118059861663e-09 -1.6974804949116673e-10 -6.02462469277872e-10 ] [ 5.532940720504512e-11 -7.859145762773895e-10 -8.767174556082433e-11 ] [ -4.935726180748071e-10 5.5315308050782087e-11 1.6739852156382836e-09 ] [ -1.0663062195007489e-10 7.267740715444473e-10 -3.250527971811456e-11 ] [ 7.560296564225933e-10 -3.671913240494822e-10 5.173442728152787e-10 ] [ -1.1929968938315501e-09 3.173998403342323e-10 3.545948512390906e-10 ] [ 9.34910433087644e-10 5.348430856499943e-10 -9.943672074855324e-10 ] [ -1.1328976466087214e-09 -9.84138751720683e-10 8.040970378762003e-10 ] [ -5.752925979246835e-10 -1.223768458228297e-09 -1.2630187413023175e-09 ] [ -7.258533006404736e-11 -3.6252578572971266e-10 5.889218337848429e-10 ] [ 1.795068271796285e-09 1.020480443357303e-09 -8.435089805712596e-10 ] [ 1.369125611715053e-10 3.153245409573101e-10 -6.451441340206598e-10 ] [ 6.045598786921613e-10 -7.211501111701152e-10 7.035059809158931e-10 ] [ 1.4633592318440259e-10 -7.158380945838529e-11 9.400104817069749e-10 ] [ 1.1729007924768556e-09 -3.781329086282496e-11 2.1838516495113022e-10 ] [ -7.813060754453204e-10 7.444074672153101e-10 -8.334202346077441e-11 ] [ -2.3744110120006885e-09 -3.9719784910979714e-10 8.665740754219585e-10 ] [ -2.538986914924589e-10 9.891662217390912e-11 -9.530414648169274e-10 ] [ -6.28061246236704e-10 -6.146654475101952e-10 -1.0250633093634393e-09 ] [ -8.514661907584627e-10 2.1537204751098893e-09 1.2256982799680506e-09 ] [ -9.67742717054064e-10 -2.041283084433049e-09 -6.318486315506132e-10 ] [ -1.024539718043762e-09 6.055090081223232e-10 5.938635873540385e-10 ] [ 1.9997235841954696e-09 -2.7902594787178947e-10 3.36713438627328e-11 ] [ 8.19481298006784e-11 1.9905698685078528e-10 -8.346686506306713e-10 ] [ -4.0379433069295486e-10 -4.2962029629661635e-10 -6.228285373931712e-10 ] [ -3.898840730535072e-10 -5.708478395432602e-10 -1.130711797044964e-09 ] [ 2.6561653064400385e-10 3.147749943763757e-10 9.573921754307099e-10 ] [ -9.17065550102836e-10 9.056976263252737e-11 1.2518898622765786e-09 ] [ -7.607112165085709e-10 9.615719337990528e-11 8.108067933464487e-10 ] [ 7.455751335365492e-10 1.2654904191752256e-09 2.7711599312213376e-10 ] [ 4.034301559470471e-10 -5.415268858589856e-10 -5.024454722007974e-10 ] [ 1.005910569603072e-11 7.103415072508743e-10 -1.880707015442976e-10 ] [ -1.2233844164922912e-09 -4.171922122490707e-10 -2.77675152762793e-10 ] [ 1.3128699862055232e-09 -1.68096750135173e-09 -1.5471130146963457e-09 ] [ -1.1660992322862356e-09 3.786696377962176e-10 -5.207429700809817e-10 ] [ -5.7493787602083845e-11 -9.089583761839259e-10 1.866593441590349e-09 ] [ 3.185137376080773e-09 1.2710973964773772e-09 -1.7331090577343694e-09 ] [ -9.318573253190478e-10 2.200465419980688e-09 2.1122051949470438e-09 ] [ -1.2346179176513684e-09 7.565660651552371e-10 4.2307716719493124e-10 ] [ -1.6836505063209217e-10 -4.059691252380288e-10 9.559620725789837e-10 ] [ -5.799943454360832e-10 3.114656985661133e-10 1.9161599797080384e-10 ] [ 1.7737424998851265e-10 -5.600626274026828e-10 2.938137176464493e-10 ] [ -3.9159663964348034e-10 4.0518742326474054e-10 -1.4849806053417217e-10 ] [ -3.33963622893049e-10 1.0855485209342189e-09 1.287685051467844e-09 ] [ 4.54505463788544e-11 -9.447485986276665e-10 -1.286335377882482e-09 ] [ -1.5424410676700928e-10 -4.1823042269934917e-10 -8.822609867162113e-10 ] [ 2.1304767375659713e-10 3.2443243439357184e-10 7.431191569945249e-10 ] [ -9.575413380741061e-10 1.6688736313472832e-10 -4.024712532394983e-10 ] [ 5.311425383089325e-10 -2.7141288522273407e-10 -3.9786595676067075e-10 ] [ 8.532478111607924e-10 8.542022277738029e-10 -6.800238394908001e-10 ] [ 1.94352034986144e-10 -1.0391869769287776e-09 -2.477924759552659e-10 ] [ -6.338527942855719e-10 1.534302010436429e-10 1.023133968276672e-10 ] [ -3.019329078900154e-10 -1.2696977349814462e-10 1.6973949386801164e-09 ] [ 7.179862929970215e-10 -8.597318199451701e-10 -8.607475999227571e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -251.16803 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.02415545558393e-17 } }