{ "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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0.7674396 -1.1049678 ] [ -2.3099508 -0.1124283 -3.635131 ] [ -0.2549011 -2.3643388 4.8563622 ] [ 0.5712296 1.1626342 4.7138918 ] [ 1.7079006 -0.1727685 -0.9135304 ] [ -0.2865229 -0.5783313 -0.1757032 ] [ -3.1518694 0.1564808 -4.3232067 ] [ -0.2329137 -0.4370294 -1.2141474 ] [ -1.3197452 1.174179 0.4379552 ] [ -1.0435636 0.3284618 -5.9792051 ] [ 0.3349905 -0.4757904 5.6922176 ] [ 2.2201723 0.2812685 -7.1997207 ] [ 2.5843183 0.1165484 4.3445059 ] [ 1.6982291 -0.5470417 2.3182029 ] [ -1.0817477 -0.3585508 0.2480117 ] [ 2.0389375 0.6425535 1.6087968 ] [ 1.7842514 -0.9813266 -1.9261972 ] [ 2.0441233 -1.7005906 -0.1822661 ] [ 0.7375435 -0.4280235 -0.3579802 ] [ 0.5532628 2.5911451 2.0641579 ] [ 2.2282492 1.792399 -0.9411522 ] [ -2.2284528 2.1641487 -0.2723469 ] [ 1.4006239 1.7992289 0.8637024 ] [ 2.5062881 -1.3990792 -1.432169 ] [ 2.2252115 -1.8049455 -0.4980111 ] [ 0.5271629 0.8659496 1.0164085 ] [ 0.4487752 -1.3287517 -0.0128311 ] [ 0.3530199 1.276394 0.6432899 ] [ -2.5997243 4.6940714 -24.2110577 ] [ -31.1583697 -3.8323861 23.7639954 ] [ -1.2094295 -2.5938206 0.8519465 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.2644e-12 -3.48865e-11 2.6211699999999998e-11 ] [ 8.95591e-12 9.19407e-12 2.92005e-10 ] [ 1.32511e-11 8.77004e-12 5.197700000000001e-10 ] [ -3.87306e-11 -5.7964700000000005e-11 7.71063e-10 ] [ -1.39484e-10 2.2423000000000004e-10 4.30563e-11 ] [ -1.46759e-10 1.95149e-10 2.3731499999999997e-10 ] [ -1.49513e-10 2.2449900000000002e-10 4.89593e-10 ] [ -1.5148200000000002e-10 2.2679299999999997e-10 7.74871e-10 ] [ -2.60635e-10 4.58616e-10 4.85327e-11 ] [ -2.69256e-10 4.4806900000000003e-10 2.67269e-10 ] [ -2.7292700000000003e-10 4.56722e-10 5.31696e-10 ] [ -2.8942100000000003e-10 4.4410600000000005e-10 7.877640000000001e-10 ] [ -3.9457900000000004e-10 6.84436e-10 6.4104200000000005e-12 ] [ -4.08301e-10 6.85325e-10 2.63122e-10 ] [ -4.5189700000000004e-10 6.91495e-10 5.13935e-10 ] [ 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] [ 7.98813 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" -1.064000639278119e-16 "source-value" -664.09697 } }