{ "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" [ 10.7824 0 0 ] "si-unit" "m" "si-value" [ 1.07824e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.41408 9.22677 0 ] "si-unit" "m" "si-value" [ -5.414080000000001e-10 9.22677e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0173756 0.106927 10.4509 ] "si-unit" "m" "si-value" [ -1.73756e-12 1.06927e-11 1.04509e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.022405 -0.0239433 0.16433 ] [ 0.260737 0.140579 2.4466 ] [ 0.147565 0.251436 4.82021 ] [ 0.206283 0.259925 7.58885 ] [ -1.36313 2.25168 -0.353447 ] [ -1.23486 2.38439 2.54685 ] [ -1.46418 2.43005 5.21638 ] [ -1.26736 2.27954 7.45399 ] [ -2.66055 4.76033 0.19569 ] [ -2.95693 4.89047 2.78222 ] [ -2.77415 4.63832 5.09309 ] [ -2.63678 4.64143 7.78966 ] [ -3.95749 6.78637 0.00870698 ] [ -4.02481 6.83839 2.37719 ] [ -4.20455 6.79805 5.0455 ] [ -4.01224 6.89579 7.71526 ] [ 2.58289 -0.00350672 0.0590625 ] [ 2.58727 0.047262 2.33313 ] [ 2.56917 -0.145283 5.15607 ] [ 2.95603 0.183487 7.77408 ] [ 1.3007 2.27961 -0.0341976 ] [ 1.37212 2.34476 2.3577 ] [ 1.26947 2.40224 5.45421 ] [ 1.24688 2.57138 7.84226 ] [ -0.0259455 4.56684 -0.0529383 ] [ 0.00852674 4.5283 2.2772 ] [ 0.0329517 4.67703 5.51476 ] [ 0.083585 4.67736 7.70573 ] [ -1.43327 6.78933 0.31623 ] [ -1.27499 6.9924 2.37892 ] [ -1.24578 6.81888 4.93902 ] [ -1.34125 6.82828 7.8195 ] [ 5.33356 -0.00584066 -0.124625 ] [ 5.19031 0.2899 2.78732 ] [ 5.46026 0.422198 5.42526 ] [ 5.34763 0.146838 7.40277 ] [ 4.08231 2.57294 -0.173128 ] [ 3.9608 2.26866 2.20217 ] [ 4.17287 2.11979 4.93866 ] [ 3.85816 2.2977 7.98184 ] [ 2.36966 4.6883 -0.185466 ] [ 2.5877 4.53437 2.3207 ] [ 2.50877 4.59761 5.30107 ] [ 2.63557 4.60316 7.67272 ] [ 1.35054 7.05944 -0.213264 ] [ 1.52604 7.11907 2.5156 ] [ 1.29568 6.68366 5.46853 ] [ 1.25512 6.89463 7.27073 ] [ 7.73075 0.155819 -0.306346 ] [ 7.71489 -0.0373306 2.82209 ] [ 7.90931 0.155788 5.08832 ] [ 8.08011 0.395472 7.93708 ] [ 6.47511 2.45814 -0.137605 ] [ 6.62493 2.43981 2.11224 ] [ 6.87448 2.09649 5.23574 ] [ 6.57009 2.39906 7.79228 ] [ 5.23681 4.60255 -0.0919086 ] [ 5.13016 4.55956 2.14097 ] [ 5.02538 4.812 5.01824 ] [ 5.22903 4.66206 7.77896 ] [ 3.60579 6.85041 -0.100719 ] [ 4.14774 6.71666 2.86044 ] [ 3.8916 6.91923 5.14267 ] [ 3.72623 6.9091 7.66845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2405000000000004e-12 -2.39433e-12 1.6433e-11 ] [ 2.60737e-11 1.4057900000000002e-11 2.4466e-10 ] [ 1.47565e-11 2.51436e-11 4.820210000000001e-10 ] [ 2.0628300000000002e-11 2.5992500000000004e-11 7.58885e-10 ] [ -1.36313e-10 2.25168e-10 -3.53447e-11 ] [ -1.2348600000000002e-10 2.38439e-10 2.5468500000000004e-10 ] [ -1.46418e-10 2.4300500000000003e-10 5.216380000000001e-10 ] [ -1.26736e-10 2.27954e-10 7.45399e-10 ] [ -2.66055e-10 4.76033e-10 1.9569e-11 ] [ -2.95693e-10 4.89047e-10 2.78222e-10 ] [ -2.77415e-10 4.6383200000000006e-10 5.093090000000001e-10 ] [ -2.63678e-10 4.64143e-10 7.78966e-10 ] [ -3.95749e-10 6.78637e-10 8.70698e-13 ] [ -4.0248100000000005e-10 6.838390000000001e-10 2.37719e-10 ] [ -4.20455e-10 6.79805e-10 5.0455e-10 ] [ -4.01224e-10 6.89579e-10 7.71526e-10 ] [ 2.58289e-10 -3.50672e-13 5.90625e-12 ] [ 2.58727e-10 4.7262e-12 2.33313e-10 ] [ 2.56917e-10 -1.45283e-11 5.15607e-10 ] [ 2.95603e-10 1.8348700000000002e-11 7.77408e-10 ] [ 1.3007e-10 2.27961e-10 -3.4197600000000004e-12 ] [ 1.37212e-10 2.34476e-10 2.3577e-10 ] [ 1.26947e-10 2.40224e-10 5.45421e-10 ] [ 1.24688e-10 2.57138e-10 7.84226e-10 ] [ -2.59455e-12 4.56684e-10 -5.29383e-12 ] [ 8.52674e-13 4.5283e-10 2.2772000000000002e-10 ] [ 3.29517e-12 4.677030000000001e-10 5.51476e-10 ] [ 8.3585e-12 4.67736e-10 7.70573e-10 ] [ -1.43327e-10 6.78933e-10 3.1623e-11 ] [ -1.2749900000000002e-10 6.992400000000001e-10 2.37892e-10 ] [ -1.24578e-10 6.81888e-10 4.93902e-10 ] [ -1.3412500000000002e-10 6.828280000000001e-10 7.8195e-10 ] [ 5.333560000000001e-10 -5.840660000000001e-13 -1.24625e-11 ] [ 5.19031e-10 2.899e-11 2.78732e-10 ] [ 5.46026e-10 4.2219800000000005e-11 5.42526e-10 ] [ 5.347629999999999e-10 1.46838e-11 7.40277e-10 ] [ 4.08231e-10 2.5729400000000003e-10 -1.73128e-11 ] [ 3.9608e-10 2.2686600000000003e-10 2.2021700000000002e-10 ] [ 4.17287e-10 2.1197900000000002e-10 4.938659999999999e-10 ] [ 3.85816e-10 2.2977e-10 7.981840000000001e-10 ] [ 2.3696600000000003e-10 4.6883e-10 -1.85466e-11 ] [ 2.5877e-10 4.53437e-10 2.3207e-10 ] [ 2.5087700000000004e-10 4.597610000000001e-10 5.30107e-10 ] [ 2.63557e-10 4.60316e-10 7.67272e-10 ] [ 1.3505400000000002e-10 7.059440000000001e-10 -2.1326400000000002e-11 ] [ 1.52604e-10 7.119070000000001e-10 2.5156e-10 ] [ 1.29568e-10 6.68366e-10 5.468530000000001e-10 ] [ 1.25512e-10 6.89463e-10 7.270730000000001e-10 ] [ 7.730749999999999e-10 1.55819e-11 -3.06346e-11 ] [ 7.71489e-10 -3.73306e-12 2.8220900000000004e-10 ] [ 7.90931e-10 1.55788e-11 5.088320000000001e-10 ] [ 8.08011e-10 3.95472e-11 7.93708e-10 ] [ 6.47511e-10 2.4581400000000004e-10 -1.37605e-11 ] [ 6.62493e-10 2.4398100000000003e-10 2.11224e-10 ] [ 6.87448e-10 2.0964900000000004e-10 5.23574e-10 ] [ 6.570090000000001e-10 2.39906e-10 7.79228e-10 ] [ 5.23681e-10 4.6025500000000003e-10 -9.19086e-12 ] [ 5.13016e-10 4.5595600000000006e-10 2.14097e-10 ] [ 5.02538e-10 4.812000000000001e-10 5.01824e-10 ] [ 5.22903e-10 4.662060000000001e-10 7.77896e-10 ] [ 3.60579e-10 6.850410000000001e-10 -1.00719e-11 ] [ 4.14774e-10 6.71666e-10 2.86044e-10 ] [ 3.8916000000000003e-10 6.919230000000001e-10 5.14267e-10 ] [ 3.7262300000000003e-10 6.909099999999999e-10 7.668450000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1848858000000004 -0.11962070000000002 -2.3031434000000006 ] [ -2.6740010000000005 -0.4831599000000001 0.27525240000000006 ] [ -2.5318138000000006 -1.0726217000000002 0.7150025000000001 ] [ -0.23861990000000005 -1.2719174000000002 -1.4264700000000001 ] [ 0.30499610000000005 -0.027222400000000008 -0.6932624000000001 ] [ -0.5157540000000002 -0.8492227000000002 -0.33380930000000003 ] [ 0.7913623000000002 -1.7989708000000004 -3.263709500000001 ] [ 0.5793329000000002 0.7361114000000001 -1.0907523000000001 ] [ -0.7117459000000002 -3.492306500000001 1.1417690000000003 ] [ 0.9458949000000002 -1.2077902000000003 1.2158667000000003 ] [ 0.9841851000000003 0.9021014000000003 1.5082520000000004 ] [ -0.5040279000000001 0.05873200000000001 1.2176077000000003 ] [ -0.36615810000000004 2.0161435000000005 -2.8005282000000005 ] [ -0.16169360000000002 1.2838430000000003 -1.5632648000000005 ] [ -0.36500810000000006 0.39815240000000013 -0.5024328000000001 ] [ -0.5285376000000002 -0.012429500000000003 -0.8708256000000002 ] [ -1.1191415000000002 -0.8184441000000002 -1.6497886000000004 ] [ 0.8626274000000003 -1.5232083000000005 0.7868140000000002 ] [ 0.21239340000000007 1.0757768000000003 2.1229748000000006 ] [ -1.8973602000000005 -2.2078641000000006 -0.7440050000000001 ] [ -1.5378706000000004 -2.5604073000000005 1.5714537000000004 ] [ -0.7420006000000001 -0.3979606000000001 2.1837883000000002 ] [ -0.030375300000000008 -3.244754800000001 1.7833561000000004 ] [ -0.28850300000000006 -2.0315814000000003 1.4041285000000001 ] [ -2.4511619000000002 0.4833280000000001 0.08985130000000001 ] [ -2.9554022000000004 1.6308788000000005 -0.015194500000000003 ] [ -2.8363168000000005 -0.36683420000000005 -0.03918780000000001 ] [ -0.17648990000000003 1.4635951000000003 1.0710482000000001 ] [ -0.8144320000000003 -0.11067180000000003 -2.9765043000000007 ] [ 1.1357136000000003 1.5617148000000005 4.0441777000000005 ] [ -1.2635591000000002 -0.16572200000000004 0.4899695000000001 ] [ -0.6565819000000002 2.2653984000000005 0.6436225000000001 ] [ -1.2707240000000002 1.9422660000000005 0.9174639000000002 ] [ 0.9109941000000003 -0.9045449000000002 2.1143614000000004 ] [ 0.6805020000000002 -5.385518600000001 -3.2949927000000008 ] [ 1.0818127000000002 -1.6103221000000005 4.047689600000001 ] [ -0.05524610000000001 0.06792440000000001 -0.4069347000000001 ] [ -0.09622870000000003 -0.6761187000000001 0.34979140000000003 ] [ -1.9364156000000003 1.4919262000000002 -2.4976878000000005 ] [ 1.8486319000000004 -0.22489320000000004 -0.3557097000000001 ] [ 1.2830297000000002 0.14024860000000003 0.11162960000000002 ] [ 1.0362505000000002 2.6339186000000003 0.9620657000000002 ] [ 0.28224830000000006 1.4631640000000001 -1.5000699000000004 ] [ 1.6446437000000005 1.2872544000000001 -1.8419411000000006 ] [ -3.104307800000001 -0.6065485000000002 0.9372990000000002 ] [ -1.3005878000000002 -2.1476186000000004 -3.198743700000001 ] [ 0.8561723000000002 -0.10431860000000003 -11.047875200000002 ] [ -0.23323660000000004 2.1134683000000005 9.955120500000001 ] [ 2.0886952000000005 -0.6882390000000002 1.3831072000000002 ] [ 1.8676525000000004 3.387218100000001 -0.6016303000000001 ] [ 2.0971384000000004 -1.7155567000000005 -0.3793581000000001 ] [ 2.0779411000000003 -1.7140004000000004 0.6116489000000002 ] [ 0.8497908000000002 -0.37203320000000006 0.09085680000000002 ] [ 2.3566557000000006 -0.45430330000000013 2.0277366000000003 ] [ -1.9055688000000004 5.056175900000001 0.14075530000000003 ] [ -0.18763490000000005 -1.3439822000000001 -2.1818695000000004 ] [ 0.6178906000000001 3.005341600000001 -1.5635974000000004 ] [ 1.6869119000000004 -0.36691750000000006 0.8782147000000002 ] [ 1.5696036000000004 -1.5763672000000004 -1.3179528000000003 ] [ 1.5594166000000005 1.3220450000000001 -1.4971311000000003 ] [ 3.114239400000001 2.2297715000000005 1.8152578000000004 ] [ 1.2360056000000001 0.27313570000000004 0.44793680000000013 ] [ 0.13641630000000002 1.6377737000000006 0.7034235000000001 ] [ 0.9422422000000003 1.7265855000000006 2.1990792000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.5005729478779055e-09 -1.916534889037306e-10 -3.6900425098298237e-09 ] [ -4.2842218861958214e-09 -7.741074958880661e-10 4.4100296009909e-10 ] [ -4.056412878578808e-09 -1.7185294107027519e-09 1.1455602893135521e-09 ] [ -3.82311225037634e-10 -2.0378363218687224e-09 -2.2854568842725763e-09 ] [ 4.88657620855179e-10 -4.361509284206593e-11 -1.1107288093596981e-09 ] [ -8.263290008840835e-10 -1.3606047557926525e-09 -5.348214562656135e-10 ] [ 1.2679021756425163e-09 -2.8822689572618735e-09 -5.22903905798286e-09 ] [ 9.281936280402646e-10 1.1793804753843574e-09 -1.747577834143828e-09 ] [ -1.140342640930255e-09 -5.595291826967877e-09 1.8293155981541958e-09 ] [ 1.5154906945139543e-09 -1.935093221271357e-09 1.948033200749248e-09 ] [ 1.5768383577597106e-09 1.4453257726709496e-09 2.4164860926748423e-09 ] [ -8.075417176109205e-10 9.409903729282563e-11 1.950822590246061e-09 ] [ -5.866499473365486e-10 3.230217979877886e-09 -4.486940807931108e-09 ] [ -2.590617056529869e-10 2.056943239377735e-09 -2.5046263146795888e-09 ] [ -5.848074442226285e-10 6.379104667954101e-10 -8.049860856830825e-10 ] [ -8.468105859337424e-10 -1.9914254308233606e-11 -1.395216417114133e-09 ] [ -1.7930623466670436e-09 -1.3112920024516977e-09 -2.6432527241823634e-09 ] [ 1.3820814527414905e-09 -2.4404487268685135e-09 1.2606149957181316e-09 ] [ 3.4029173989222283e-10 1.723584438159038e-09 3.401380591107557e-09 ] [ -3.039906153676413e-09 -3.5373882429236342e-09 -1.1920274167583044e-09 ] [ -2.463940321135669e-09 -4.102224715785653e-09 2.5177463788096577e-09 ] [ -1.1888160139395726e-09 -6.376031693195407e-10 3.4988145590365772e-09 ] [ -4.866659550978625e-11 -5.198670280788581e-09 2.8572514499810678e-09 ] [ -4.622327616306625e-10 -3.2549522223321338e-09 2.2496618552989732e-09 ] [ -3.9271942899757084e-09 7.743768217780226e-10 1.4395765220848705e-10 ] [ -4.7350763099008864e-09 2.61295588471836e-09 -2.4344272664745605e-11 ] [ -4.54428046614227e-09 -5.877331789498715e-10 -6.278577698058626e-11 ] [ -2.8276799158732996e-10 2.3449378515374385e-09 1.7160083857899228e-09 ] [ -1.304863909631386e-09 -1.773157705418535e-10 -4.768885601170671e-09 ] [ 1.8196137778446035e-09 2.5021429409173488e-09 6.4794869613007176e-09 ] [ -2.0244448490190895e-09 -2.655159139522177e-10 7.850176778050659e-10 ] [ -1.0519601698204438e-09 3.6295683532777278e-09 1.0311969221208481e-09 ] [ -2.0359242842894594e-09 3.111853176574734e-09 1.4699392110079895e-09 ] [ 1.4595734487067377e-09 -1.4492406912438743e-09 3.3875804030019577e-09 ] [ 1.090284394807642e-09 -8.628551991803549e-09 -5.27916026964667e-09 ] [ 1.7332550160245245e-09 -2.580020420577561e-09 6.485113645375306e-09 ] [ -8.85140098103789e-11 1.0882688566186754e-10 -6.51981262532262e-10 ] [ -1.54175373389977e-10 -1.0832615740256891e-09 5.604276032369012e-10 ] [ -3.102479802472405e-09 2.3903292775989855e-09 -4.001736999217387e-09 ] [ 2.9618348106450843e-09 -3.6031862721689867e-10 -5.699097651317819e-10 ] [ 2.055640189132038e-09 2.2470302801993094e-10 1.7885033530925572e-10 ] [ 1.6602563243923108e-09 4.220002802010267e-09 1.541399172213587e-09 ] [ 4.522116275205448e-10 2.3442471531962114e-09 -2.4033769233457946e-09 ] [ 2.63500968568601e-09 2.0624089047019318e-09 -2.951114967310636e-09 ] [ -4.973649380927084e-09 -9.717978260813091e-10 1.5017185444992196e-09 ] [ -2.083771366457707e-09 -3.4408643113152275e-09 -5.124952372071291e-09 ] [ 1.3717392424365643e-09 -1.6713682203458692e-10 -1.770064735495613e-08 ] [ -3.7368622763488134e-10 3.3861494990619215e-09 1.5949861322346808e-08 ] [ 3.346458617417181e-09 -1.1026804353227714e-09 2.21598201990015e-09 ] [ 2.9923091712786725e-09 5.4269216493705985e-09 -9.639180010248903e-10 ] [ 3.3599861150619193e-09 -2.7486248363968004e-09 -6.077986787311087e-10 ] [ 3.3292286498194356e-09 -2.746131368921849e-09 9.799695677180374e-10 ] [ 1.361514952330929e-09 -5.960628952014107e-10 1.4556864080070146e-10 ] [ 3.77577866581506e-09 -7.278741260122889e-10 3.248792173660482e-09 ] [ -3.0530577806859116e-09 8.100886817632401e-09 2.255148509136903e-10 ] [ -3.00624250026146e-10 -2.15329685961135e-09 -3.4957403025365864e-09 ] [ 9.899698735320847e-10 4.815088049037667e-09 -2.5051591986236664e-09 ] [ 2.7027308075293082e-09 -5.878666402623842e-10 1.4070550603828862e-09 ] [ 2.514782191843516e-09 -2.5256186736359587e-09 -2.111593163477899e-09 ] [ 2.498460818607426e-09 2.118149590645536e-09 -2.3986684466925873e-09 ] [ 4.9895615582542215e-09 3.572487767026148e-09 2.9083636078848427e-09 ] [ 1.9802992754978768e-09 4.3761163284584265e-10 7.176738685559657e-10 ] [ 2.185630065560391e-10 2.624002732301114e-09 1.127008686221309e-09 ] [ 1.5096384239711582e-09 2.7662949219122794e-09 3.523313281527568e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -285.17787 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.569053160835417e-17 } }