{ "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" [ [ -0.2882636 -0.0013322 -0.6076177 ] [ 0.3283572 0.5430691 -0.4336051 ] [ 0.927713 -0.2242451 0.0761411 ] [ 0.0390548 -0.9340954 -1.3229529 ] [ 0.1492458 0.1443034 -0.1018195 ] [ -0.7193889 -0.1324414 0.4382196 ] [ 0.3521433 0.1168207 -0.1140009 ] [ -0.7471652 0.2204128 1.2087606 ] [ 1.0322449 -0.7059302 -0.1936867 ] [ 0.8213672 0.499109 -0.076381 ] [ 0.5619352 -0.4479335 0.248495 ] [ -0.1492556 -0.0961541 -0.3588035 ] [ -0.3532624 -0.0473548 0.4932968 ] [ 0.0654086 0.632675 -0.1359069 ] [ 0.0061712 -0.0053102 0.0049286 ] [ -0.5358679 -0.3833356 0.2811828 ] [ 0.334414 0.2802394 -0.4655289 ] [ -0.3559341 -0.1392916 0.3476824 ] [ -0.1395314 -0.8157511 0.1583285 ] [ -0.3876361 -0.0887958 -0.2900647 ] [ 0.6105471 0.1959546 -0.4545457 ] [ 0.5108648 0.3529365 -0.5864967 ] [ 0.7521856 -0.7128218 -0.3727453 ] [ 0.443226 0.7482255 0.4124239 ] [ -0.1855558 0.0335874 0.4116314 ] [ -0.5023549 -0.6082394 0.4176426 ] [ -0.7822495 -0.1004709 -0.0316738 ] [ -0.528186 0.8147076 -1.3889527 ] [ -0.1083061 -0.4100556 -0.3614443 ] [ -0.4329566 1.067916 0.5227355 ] [ 0.4608571 -1.0573033 0.1863729 ] [ 0.0346217 0.8154072 -0.2341287 ] [ 0.3444231 -0.283709 -0.2027797 ] [ 0.0797936 0.3854896 -0.8543496 ] [ -0.9782395 -0.3308843 -0.6822933 ] [ -0.067815 -0.4329168 -1.3901331 ] [ 1.1368124 0.1478834 0.7894214 ] [ -0.381162 0.5334045 0.9229369 ] [ 0.0703256 0.6012604 1.0941872 ] [ 0.2185229 0.4862831 -0.3766807 ] [ 0.0779268 -0.2806004 0.1526442 ] [ -0.4933639 -0.3031756 0.1759565 ] [ -0.4238351 0.0673124 -0.0094443 ] [ 0.1014966 -1.0713295 -0.6591789 ] [ -0.0141363 -0.2081184 0.1388498 ] [ -0.194253 -0.2022913 0.3021567 ] [ 0.9853938 0.8623658 -0.3685156 ] [ 0.0615135 0.3102848 1.2329347 ] [ -0.2599451 1.0991762 -0.466944 ] [ 0.3286677 0.0774332 0.4189726 ] [ -0.1871862 0.4029792 0.4113683 ] [ -1.2191949 -0.5269655 -0.158441 ] [ -0.1136638 0.2471926 0.2323905 ] [ 0.3858392 0.8232734 1.2024418 ] [ 0.1319828 -0.1743714 -0.9573769 ] [ -0.0073899 -0.5554821 -0.1682307 ] [ -0.2371395 -0.1164126 -0.0084304 ] [ -0.5705518 0.2314603 0.6424945 ] [ 0.1295335 -0.1396713 -0.095551 ] [ 0.3577915 0.4708151 -0.0930508 ] [ -0.0018579 -0.8004766 0.6889631 ] [ -0.4524826 -0.1335016 -0.6752632 ] [ 0.202138 0.3255685 1.0962683 ] [ -0.2243877 -1.0667782 -0.0128099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.618492005476429e-10 -2.13441969422976e-12 -9.735108733242683e-10 ] [ 5.260862291113498e-10 8.700926154988972e-10 -6.947119538796461e-10 ] [ 1.4863600794122304e-09 -3.592802565489581e-10 1.2199149030199488e-10 ] [ 6.257268749001985e-11 -1.4965858114768243e-09 -2.1196042067995604e-09 ] [ 2.3911813151259264e-10 2.3119953378195073e-10 -1.631328224415456e-10 ] [ -1.1525880768430292e-09 -2.1219451470602112e-10 7.021051978963277e-10 ] [ 5.641957624313606e-10 1.8716739436549057e-10 -1.8264957673015874e-10 ] [ -1.1970906153153562e-09 3.531402350850662e-10 1.9366479734641805e-09 ] [ 1.653838645720034e-09 -1.1310248623566682e-09 -3.1032030249990335e-10 ] [ 1.3159753249319578e-09 7.996607710308672e-10 -1.2237585247332482e-10 ] [ 9.003194398445722e-10 -7.176685813731168e-10 3.98132879385696e-10 ] [ -2.3913383284347645e-10 -1.540558510140653e-10 -5.748665791612128e-10 ] [ -5.659887582876979e-10 -7.587075344265984e-11 7.903486000754535e-10 ] [ 1.0479612971925889e-10 1.01365709356464e-09 -2.1774685778540353e-10 ] [ 9.88735236228096e-12 -8.50787829177216e-12 7.896487693274881e-12 ] [ -8.585550212171923e-10 -6.141713362403405e-10 4.505045083310823e-10 ] [ 5.357902924682112e-10 4.489930149070196e-10 -7.458595198867412e-10 ] [ -5.702692935654892e-10 -2.2316974499382527e-10 5.57048612743634e-10 ] [ -2.2355394694749314e-10 -1.3069773408118828e-09 2.5367022110633283e-10 ] [ -6.210614967980909e-10 -1.4226655478523263e-10 -4.647348808593658e-10 ] [ 9.782042895172397e-10 3.139538788582157e-10 -7.282624936251706e-10 ] [ 8.184956389496679e-10 5.654666089269792e-10 -9.396713009163514e-10 ] [ 1.2051341828224204e-09 -1.1420664227565733e-09 -5.972038051730822e-10 ] [ 7.101263349307008e-10 1.1987894031863905e-09 6.607759304391571e-10 ] [ -2.9729316461384066e-10 5.3812947033457925e-11 6.595062054671731e-10 ] [ -8.04861276124322e-10 -9.745069465294194e-10 6.69137209570126e-10 ] [ -1.2533018605324897e-09 -1.6097212705073472e-10 -5.074702185189504e-11 ] [ -8.462472606338689e-10 1.3053054695080782e-09 -2.225347543337036e-09 ] [ -1.7352550131002688e-10 -6.569814955481165e-10 -5.790976071814215e-10 ] [ -6.936729423410573e-10 1.710990048178253e-09 8.375145969621985e-10 ] [ 7.383744711496877e-10 -1.6939866283546887e-09 2.986023031306963e-10 ] [ 5.547007831235136e-11 1.3064263522719898e-09 -3.7511552939829697e-10 ] [ 5.518266384834605e-10 -4.545519269105472e-10 -3.2488889451283776e-10 ] [ 1.278434404094669e-10 6.176224246815437e-10 -1.3688189551098318e-09 ] [ -1.5673124564430816e-09 -5.301350896497735e-10 -1.0931543737884807e-09 ] [ -1.0865160753955201e-10 -6.936091757115494e-10 -2.2272387526202285e-09 ] [ 1.8213742495155379e-09 2.3693532608441473e-10 1.2647925110392051e-09 ] [ -6.106888451373696e-10 8.546082193295136e-10 1.4787079236536274e-09 ] [ 1.1267403216373249e-10 9.633253558928564e-10 1.7530811506186137e-09 ] [ 3.501122814894163e-10 7.791114139101485e-10 -6.035090110465785e-10 ] [ 1.2485249709375746e-10 -4.4957140066712836e-10 2.4456296854071937e-10 ] [ -7.904561061267092e-10 -4.857408583170125e-10 2.819133905777952e-10 ] [ -6.790586882944302e-10 1.0784635356993791e-10 -1.513143665982144e-11 ] [ 1.6261547961068928e-10 -1.7164590780733538e-09 -1.0561210225046612e-09 ] [ -2.264884936461504e-11 -3.3344243483830276e-10 2.2246190336275584e-10 ] [ -3.1122761512026244e-10 -3.2410639145123904e-10 4.841084005580794e-10 ] [ 1.5787749086412711e-09 1.3816623233374886e-09 -5.904270787200845e-10 ] [ 9.85554915635808e-11 4.971310523496039e-10 1.9753791513130615e-09 ] [ -4.164779619115181e-10 1.761074409779785e-09 -7.481267600228353e-10 ] [ 5.265837049521082e-10 1.2406166271373054e-10 6.7126810447579e-10 ] [ -2.99905353376393e-10 6.456438529086874e-10 6.590846727982407e-10 ] [ -1.953365564978594e-09 -8.442918040681823e-10 -2.538504659761728e-10 ] [ -1.8210948299128705e-10 3.960462045547661e-10 3.7233062599602243e-10 ] [ 6.181825456281753e-10 1.3190293940065268e-09 1.926524139832669e-09 ] [ 2.1145975650772227e-10 -2.7937378041616514e-10 -1.5338868864739794e-09 ] [ -1.183992501004992e-11 -8.899804338928876e-10 -2.695352944408186e-10 ] [ -3.799393627682016e-10 -1.865135460865421e-10 -1.350698978399232e-11 ] [ -9.141247549153575e-10 3.7084028130335426e-10 1.0293896668925857e-09 ] [ 2.075355453103968e-10 -2.2377809145674304e-10 -1.530895782940608e-10 ] [ 5.732451764209632e-10 7.543289459396141e-10 -1.4908381630673666e-10 ] [ -2.97668394378432e-12 -1.2825048940174733e-09 1.1038405714138926e-09 ] [ -7.249570430387981e-10 -2.138931423593933e-10 -1.0818909119265944e-09 ] [ 3.238607777752704e-10 5.216182391689248e-10 1.7564154403841606e-09 ] [ -3.595087269350842e-10 -1.7091670916191064e-09 -2.0523722294785923e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -257.21532 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.121043722155907e-17 } }