{ "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" [ 10.5412 0 0 ] "si-unit" "m" "si-value" [ 1.05412e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.30912 9.14864 0 ] "si-unit" "m" "si-value" [ -5.30912e-10 9.14864e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0543286 0.019795 10.8232 ] "si-unit" "m" "si-value" [ 5.43286e-12 1.9795e-12 1.08232e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.286699 0.153382 0.373585 ] [ -0.187054 0.367397 2.85917 ] [ -0.118437 0.045237 5.29812 ] [ 0.161464 0.204785 7.78512 ] [ -1.31943 2.27186 0.0564818 ] [ -1.27142 2.1522 2.24599 ] [ -1.33754 2.32527 5.2183 ] [ -1.06279 2.24208 8.02228 ] [ -2.54101 4.69741 0.0615276 ] [ -2.56902 4.80047 2.86272 ] [ -2.84351 4.68844 5.4509 ] [ -2.65944 4.56647 7.82922 ] [ -3.75335 6.86254 -0.00837524 ] [ -4.01979 6.84927 2.12554 ] [ -3.98123 6.86615 5.18655 ] [ -4.16031 6.92891 7.39891 ] [ 2.60746 -0.0636241 -0.310305 ] [ 3.04045 -0.0925071 2.38474 ] [ 2.61605 0.0593251 5.65186 ] [ 2.61477 0.0296499 7.78516 ] [ 1.32145 2.17028 0.0126449 ] [ 1.60396 2.15959 2.52799 ] [ 1.30724 2.30873 5.39167 ] [ 1.26384 2.35954 7.59895 ] [ -0.104948 4.5869 -0.469244 ] [ -0.0877149 4.73441 2.39274 ] [ -0.0116221 5.05796 5.31576 ] [ 0.220851 4.43169 7.92722 ] [ -1.1327 6.75825 0.187518 ] [ -1.47179 6.51111 2.84724 ] [ -1.19415 7.05782 5.14551 ] [ -1.35897 6.8173 7.86939 ] [ 5.25996 -0.0649457 -0.0171645 ] [ 5.27266 0.0188076 2.88871 ] [ 5.1805 -0.00119386 4.74664 ] [ 5.18778 0.223665 7.83523 ] [ 3.90424 1.94181 0.0870598 ] [ 4.04699 2.36001 3.0742 ] [ 3.74444 2.62006 4.95649 ] [ 3.71365 2.01938 7.65747 ] [ 2.65571 4.63737 0.230889 ] [ 2.42179 4.76107 2.76443 ] [ 2.79983 4.57751 5.20168 ] [ 2.62512 4.60433 7.8204 ] [ 1.32716 6.84668 -0.358965 ] [ 1.22891 6.94561 2.6199 ] [ 1.3277 6.78423 5.43376 ] [ 1.32466 6.85798 7.90871 ] [ 7.90588 0.00998967 -0.16703 ] [ 8.02626 0.206874 2.33479 ] [ 7.91227 0.169129 5.31396 ] [ 7.85676 0.0210477 7.54887 ] [ 6.94188 2.38798 0.285476 ] [ 6.94129 2.50643 2.80075 ] [ 6.63163 2.33666 5.64131 ] [ 6.30023 2.42301 8.07149 ] [ 5.22299 4.55947 -0.0816771 ] [ 5.20287 4.48787 3.06496 ] [ 5.00356 4.27866 5.27795 ] [ 5.18771 4.64392 7.97119 ] [ 3.89152 6.59134 0.00694915 ] [ 3.93864 6.86941 2.98575 ] [ 3.98098 6.86554 5.00501 ] [ 3.90778 6.99502 7.60915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.86699e-11 1.53382e-11 3.73585e-11 ] [ -1.87054e-11 3.67397e-11 2.85917e-10 ] [ -1.18437e-11 4.5237e-12 5.29812e-10 ] [ 1.61464e-11 2.04785e-11 7.78512e-10 ] [ -1.31943e-10 2.2718600000000004e-10 5.64818e-12 ] [ -1.27142e-10 2.1522e-10 2.24599e-10 ] [ -1.33754e-10 2.3252700000000002e-10 5.2183e-10 ] [ -1.06279e-10 2.24208e-10 8.02228e-10 ] [ -2.54101e-10 4.69741e-10 6.1527600000000005e-12 ] [ -2.5690200000000003e-10 4.80047e-10 2.86272e-10 ] [ -2.84351e-10 4.68844e-10 5.4509e-10 ] [ -2.65944e-10 4.56647e-10 7.82922e-10 ] [ -3.7533500000000003e-10 6.86254e-10 -8.375240000000001e-13 ] [ -4.0197900000000003e-10 6.84927e-10 2.1255400000000001e-10 ] [ -3.9812300000000004e-10 6.86615e-10 5.186550000000001e-10 ] [ -4.16031e-10 6.928910000000001e-10 7.39891e-10 ] [ 2.60746e-10 -6.3624100000000006e-12 -3.10305e-11 ] [ 3.04045e-10 -9.25071e-12 2.38474e-10 ] [ 2.61605e-10 5.93251e-12 5.651860000000001e-10 ] [ 2.6147700000000004e-10 2.9649900000000003e-12 7.785160000000001e-10 ] [ 1.32145e-10 2.17028e-10 1.2644900000000002e-12 ] [ 1.60396e-10 2.1595900000000001e-10 2.52799e-10 ] [ 1.30724e-10 2.3087300000000003e-10 5.391670000000001e-10 ] [ 1.2638400000000002e-10 2.3595400000000003e-10 7.598950000000001e-10 ] [ -1.0494800000000001e-11 4.5869e-10 -4.69244e-11 ] [ -8.77149e-12 4.73441e-10 2.39274e-10 ] [ -1.16221e-12 5.05796e-10 5.31576e-10 ] [ 2.20851e-11 4.4316899999999997e-10 7.92722e-10 ] [ -1.1327000000000001e-10 6.758250000000001e-10 1.87518e-11 ] [ -1.47179e-10 6.51111e-10 2.84724e-10 ] [ -1.1941500000000002e-10 7.05782e-10 5.14551e-10 ] [ -1.3589700000000002e-10 6.817300000000001e-10 7.869390000000001e-10 ] [ 5.25996e-10 -6.49457e-12 -1.71645e-12 ] [ 5.27266e-10 1.88076e-12 2.88871e-10 ] [ 5.180500000000001e-10 -1.19386e-13 4.74664e-10 ] [ 5.18778e-10 2.2366500000000002e-11 7.83523e-10 ] [ 3.90424e-10 1.94181e-10 8.705980000000001e-12 ] [ 4.04699e-10 2.36001e-10 3.0742e-10 ] [ 3.7444400000000004e-10 2.62006e-10 4.956489999999999e-10 ] [ 3.71365e-10 2.01938e-10 7.65747e-10 ] [ 2.65571e-10 4.63737e-10 2.3088900000000003e-11 ] [ 2.4217900000000003e-10 4.76107e-10 2.76443e-10 ] [ 2.79983e-10 4.5775100000000006e-10 5.20168e-10 ] [ 2.62512e-10 4.60433e-10 7.8204e-10 ] [ 1.32716e-10 6.846680000000001e-10 -3.58965e-11 ] [ 1.22891e-10 6.94561e-10 2.6199e-10 ] [ 1.3277000000000002e-10 6.78423e-10 5.43376e-10 ] [ 1.32466e-10 6.85798e-10 7.908710000000001e-10 ] [ 7.90588e-10 9.989670000000002e-13 -1.6703e-11 ] [ 8.026260000000001e-10 2.06874e-11 2.33479e-10 ] [ 7.91227e-10 1.69129e-11 5.31396e-10 ] [ 7.856760000000001e-10 2.10477e-12 7.54887e-10 ] [ 6.94188e-10 2.3879800000000003e-10 2.8547600000000002e-11 ] [ 6.941290000000001e-10 2.50643e-10 2.80075e-10 ] [ 6.63163e-10 2.3366600000000005e-10 5.64131e-10 ] [ 6.30023e-10 2.4230100000000004e-10 8.071490000000001e-10 ] [ 5.22299e-10 4.5594700000000004e-10 -8.16771e-12 ] [ 5.20287e-10 4.4878700000000003e-10 3.0649600000000004e-10 ] [ 5.003560000000001e-10 4.2786600000000006e-10 5.27795e-10 ] [ 5.187710000000001e-10 4.64392e-10 7.97119e-10 ] [ 3.89152e-10 6.59134e-10 6.949150000000001e-13 ] [ 3.93864e-10 6.86941e-10 2.9857500000000003e-10 ] [ 3.9809800000000003e-10 6.86554e-10 5.005010000000001e-10 ] [ 3.90778e-10 6.99502e-10 7.60915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0311098 -0.5194196 0.1257996 ] [ 3.4666463 -3.8678111 2.3059776 ] [ 0.2128013 0.0164588 -1.0322236 ] [ 0.351885 -1.7385059 0.7428638 ] [ 0.5568033 0.9099219 -2.6455327 ] [ -1.7541692 5.7578602 1.4734022 ] [ 0.0 0.0 0.0 ] [ -2.0710123 0.2387037 0.6003592 ] [ -0.3969444 0.4081341 -0.3261899 ] [ -4.3096111 -5.2402003 -0.1572894 ] [ -0.4425982 1.0164952 0.440006 ] [ 0.1194686 -0.2980425 -0.6755434 ] [ 1.1530051 0.4126958 -2.1371158 ] [ -0.8192982 0.068139 2.9412667 ] [ 1.2238251 -1.2863543 -1.6117291 ] [ -2.1704364 0.5904191 1.5222241 ] [ -0.8002782 -0.5785014 -0.4106641 ] [ -0.1558594 -0.0011987 -0.8368505 ] [ 0.211127 -0.5601872 -3.714043 ] [ -1.7642858 -1.5909617 2.7786077 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 1.4037809 -0.1136907 -2.0435486 ] [ 1.5463642 0.231238 0.6597258 ] [ -0.4215398 0.2117813 -1.1684354 ] [ 1.0345754 -0.23409 -0.455404 ] [ -1.3066412 -2.5064542 -0.1786263 ] [ 0.8356324 0.950318 1.6741347 ] [ 0.4799963 0.1415924 0.1788703 ] [ 2.8242409 5.0848797 0.6241079 ] [ -0.484687 1.1456673 -0.3571021 ] [ 0.0 0.0 0.0 ] [ 0.1640453 0.5450128 0.0871606 ] [ 0.268607 0.8926514 -12.8240916 ] [ -0.2664959 -1.1601958 13.3980435 ] [ 1.2821624 -0.0190319 0.5022462 ] [ 0.1495039 -0.9650569 -0.0102558 ] [ 2.3033047 -1.2647323 -10.6890334 ] [ -5.0906846 -8.1755771 8.7558475 ] [ -0.598066 2.2084871 0.7462061 ] [ -0.7562623 -0.2564674 0.1023846 ] [ -1.0007051 1.7298619 1.1300895 ] [ -5.1575706 4.5849098 -0.3821948 ] [ -0.2187541 0.4141717 -0.1946634 ] [ 0.0 0.0 0.0 ] [ 0.6070154 -1.1791305 -0.2437161 ] [ 2.0937167 1.6662509 1.9321436 ] [ 0.3021545 0.3526896 -1.1449311 ] [ 0.2799982 -0.4295985 -0.1004789 ] [ -2.4523498 -2.3630634 0.1489947 ] [ 0.0174047 0.0464297 -0.7007384 ] [ -0.0174047 -0.0464297 0.7007384 ] [ -0.6317187 0.1521612 -0.4989338 ] [ 0.3530984 0.3434904 0.222995 ] [ 0.2217344 0.0636499 0.7412986 ] [ -0.3972787 0.4976769 -1.4526852 ] [ 0.1793851 0.598047 -0.0441074 ] [ 0.6594735 -0.1971715 -2.5154295 ] [ 6.8773071 4.7197491 3.3786884 ] [ 0.49008 -1.0435744 0.3706101 ] [ 0.5768772 -0.3415797 -0.0582772 ] [ -0.1183376 0.0108164 -5.643702 ] [ 0.1183376 -0.0108164 5.643702 ] [ 1.2697409 -0.0225175 0.3250424 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.98433946484132e-11 -8.322019463616264e-10 2.015531796865464e-10 ] [ 5.554179700202554e-09 -6.196916569145837e-09 3.694583429247398e-09 ] [ 3.409452705448242e-10 2.6369904783679198e-11 -1.6538045329833625e-09 ] [ 5.6378192485509e-10 -2.785393531051141e-09 1.1901990226044492e-09 ] [ 8.920972369940922e-10 1.4578556069448846e-09 -4.238610676422932e-09 ] [ -2.8104889043224728e-09 9.225109074278566e-09 2.3606505773241946e-09 ] [ 0.0 0.0 0.0 ] [ -3.318127515786598e-09 3.824454905893458e-10 9.618814822469327e-10 ] [ -6.359750426771495e-10 6.539029185586194e-10 -5.226138360267966e-10 ] [ -6.904758206047037e-09 -8.39572647813979e-09 -2.5200540145587957e-10 ] [ -7.091204942904588e-10 1.628604858013157e-09 7.04967332019804e-10 ] [ 1.914097994166924e-10 -4.775167294389449e-10 -1.0823398507329157e-09 ] [ 1.8473178301028333e-09 6.612115677099372e-10 -3.4240369989122173e-09 ] [ -1.3126604323182588e-09 1.0917071366412601e-10 4.712428781102288e-09 ] [ 1.9607839793227135e-09 -2.0609668025054262e-09 -2.5822747043578495e-09 ] [ -3.4774224856630775e-09 9.459556862873094e-10 2.4388718847316795e-09 ] [ -1.2821870327395789e-09 -9.268614258162877e-10 -6.579564254426394e-10 ] [ -2.497142888692596e-10 -1.9205291311758e-12 -1.340782317251217e-09 ] [ 3.38262746206518e-10 -8.975188425058848e-10 -5.950552912271262e-09 ] [ -2.826697484457997e-09 -2.549001661328918e-09 4.451820331992481e-09 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 2.2491049572354906e-09 -1.821525830431038e-10 -3.274125817363412e-09 ] [ 2.4775485888941027e-09 3.70484120492892e-10 1.0569972616069573e-09 ] [ -6.753812178610332e-10 3.3931105037814424e-10 -1.8720398962184434e-09 ] [ 1.6575725319912036e-09 -3.7505352825305997e-10 -7.296376478301359e-10 ] [ -2.093469999661721e-09 -4.015782353431163e-09 -2.861908840778742e-10 ] [ 1.3388307058933418e-09 1.522577294469612e-09 2.6822594985085996e-09 ] [ 7.690388562664542e-10 2.2685603483198162e-10 2.865818151765702e-10 ] [ 4.524932778767131e-09 8.14687544204093e-09 9.999310944748087e-10 ] [ -7.765541862035579e-10 1.8355613783978682e-09 -5.721406405723313e-10 ] [ 0.0 0.0 0.0 ] [ 2.6282954657752023e-10 8.732067733909152e-10 1.396466767254204e-10 ] [ 4.3035585912883795e-10 1.4301852153873876e-09 -2.0546459913795672e-08 ] [ -4.269735040368006e-10 -1.8588386016249373e-09 2.146603223701558e-08 ] [ 2.0542506382733618e-09 -3.04924654806246e-11 8.046871261552907e-10 ] [ 2.395316552718726e-10 -1.5461916156604746e-09 -1.64316031229772e-11 ] [ 3.6903009713223797e-09 -2.026324539325078e-09 -1.7125719553525576e-08 ] [ -8.156175917183637e-09 -1.309871859908548e-08 1.4028414275367315e-08 ] [ -9.58207370789844e-10 3.5383864281104215e-09 1.1955539775682673e-09 ] [ -1.2116657862350983e-09 -4.109060756627316e-10 1.640382138014364e-10 ] [ -1.6033063287446334e-09 2.7715443162268445e-09 1.810602991228743e-09 ] [ -8.26333910352536e-09 7.345835350557614e-09 -6.123435781963032e-10 ] [ -3.504827076116994e-10 6.635762202040577e-10 -3.1188515097499557e-10 ] [ 0.0 0.0 0.0 ] [ 9.725458903581636e-10 -1.889175335536737e-09 -3.904762407496074e-10 ] [ 3.3545039749555874e-09 2.6696282583614707e-09 3.0956353294526425e-09 ] [ 4.84104879757953e-10 5.650710361748064e-10 -1.8343818559599174e-09 ] [ 4.486065736020588e-10 -6.88292678701449e-10 -1.609849457900226e-10 ] [ -3.929097547954573e-09 -3.786044964140596e-09 2.387158269298398e-10 ] [ 2.7885403661779796e-11 7.438858046362979e-11 -1.1227066910265455e-09 ] [ -2.7885403661779796e-11 -7.438858046362979e-11 1.1227066910265455e-09 ] [ -1.0121249404008558e-09 2.437891192414008e-10 -7.993800762728291e-10 ] [ 5.657260059827855e-10 5.503322928833136e-10 3.5727737849883e-10 ] [ 3.552576746340096e-10 1.019783825364366e-10 1.1876912957369124e-09 ] [ -6.365106503258957e-10 7.973663004615545e-10 -2.3274582839976166e-09 ] [ 2.8740661570775337e-10 9.58176929433798e-10 -7.066784566649159e-11 ] [ 1.056593032442199e-09 -3.15903570190731e-10 -4.030162369374304e-09 ] [ 1.1018660740462303e-08 7.561871726362528e-09 5.413255608046846e-09 ] [ 7.8519472479072e-10 -1.6719905195205696e-09 5.937828425444034e-10 ] [ 9.242591705273448e-10 -5.472710139887298e-10 -9.33703681349448e-11 ] [ -1.8959773764363841e-10 1.7329783343997602e-11 -9.042207473659068e-09 ] [ 1.8959773764363841e-10 -1.7329783343997602e-11 9.042207473659068e-09 ] [ 2.0343492012141306e-09 -3.6077012356095e-11 5.207753383392816e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -105.79758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.695064106097457e-17 } }