{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.0411e-09 0.0 0.0 ] "source-value" [ 10.411 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] "source-value" [ -5.29438 9.21066 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] "source-value" [ -0.225117 -0.0675308 10.2123 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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32.8630265 ] [ 8.4255825 -7.4234812 -0.623192 ] [ 1.1086558 -3.7722204 -0.9424076 ] [ 4.1160907 0.0746779 -5.5192125 ] [ -1.3504119 -4.184037 6.2264278 ] [ -2.0325758 6.8996239 0.7782221 ] [ 4.3707676 3.8678559 -2.2460744 ] [ 2.3459208 -0.5533161 1.1704795 ] [ 0.7323148 -0.7883566 3.0353326 ] [ 37.9844266 4.1281131 -0.4814367 ] [ 4.2844876 -5.140171 -4.7312948 ] [ -0.001208 -1.7464378 4.2014761 ] [ -3.0727397 -0.8903709 0.4523462 ] [ -0.8931138 -2.3721897 -0.7683253 ] [ 1.8136807 -5.3990028 -2.2390447 ] [ -6.6869484 6.1812713 1.4081986 ] [ -4.1356234 0.6842187 -1.4178577 ] [ 7.106439 -2.9249601 -7.457776 ] [ -3.5579359 3.4651295 7.777647 ] [ -2.471445 -2.2404928 3.2766321 ] [ 2.397394 -3.7801993 -0.3669814 ] [ -0.7232403 10.7443298 0.4715231 ] [ 2.604825 -1.086532 -2.9195521 ] [ 6.4628525 -4.4200489 0.9624171 ] [ 4.4696164 7.0114279 0.5008158 ] [ -1.0228042 -0.9176693 -8.524189 ] [ -2.5521061 0.1253648 7.3891826 ] [ 4.4747613 4.8215574 7.4651394 ] [ 5.1354097 0.916861 -0.0578898 ] [ 6.4015597 2.8184921 -9.2418304 ] [ -0.7623218 1.8641403 3.6844636 ] [ 0.52515 -0.255794 7.9284499 ] [ 2.6265635 -0.1096785 2.1050794 ] [ -3.996276 0.425269 -1.5649588 ] [ 6.4670802 -0.9183046 -8.1911544 ] [ 3.0671756 0.7414664 1.3893762 ] [ 6.0102872 -0.1720173 -1.0315202 ] [ 4.5815982 1.1228765 -7.8079164 ] [ -2.7514745 -2.369123 5.5845063 ] [ -2.3356036 0.3489363 -13.4311213 ] [ -6.8589309 2.9331111 2.8037414 ] [ -7.8735998 -0.8647874 8.9531634 ] [ 3.9053398 3.4897037 1.3123325 ] [ -0.9460153 -0.5852006 -2.7755937 ] [ -1.1819385 -5.326467 3.8535863 ] [ -0.144834 -0.9094261 0.1653555 ] [ -2.6662425 0.7062063 -1.6676184 ] [ -3.4282765 -5.7445912 -0.9223188 ] [ -1.8930211 -1.2999028 3.9568431 ] [ -8.4221555 -1.9745465 0.0953815 ] [ -5.3305152 -6.9020233 -3.9600242 ] [ -3.0745321 4.4793014 -1.7921551 ] [ -4.5574499 2.782022 5.8908334 ] [ -5.846735 -1.17103 1.0610777 ] [ -4.3811035 6.1466371 -3.8521199 ] [ -6.0359108 -6.7700154 -2.5224089 ] [ -1.8140876 -1.4710697 -17.3246308 ] [ 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0.0646273 0.348553 ] [ 7.81184 -0.0381409 2.73794 ] [ 7.91579 -0.345681 5.60963 ] [ 7.67692 -0.122649 8.16693 ] [ 6.65958 2.51772 0.112505 ] [ 6.53716 2.24303 2.45744 ] [ 6.69999 2.26023 5.12355 ] [ 6.34109 2.14616 8.04966 ] [ 5.26606 4.55868 0.309546 ] [ 5.14345 4.38936 2.56679 ] [ 5.15982 4.46608 5.65685 ] [ 5.17008 4.33331 8.20244 ] [ 3.93881 6.94156 0.784897 ] [ 3.73503 7.06085 3.16928 ] [ 3.88909 6.7996 5.18682 ] [ 3.70294 6.72284 8.16498 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.25737214990019e-17 "source-value" -203.30918 } }