{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "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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-0.3851631 ] [ 1.2511538 0.508022 2.0857017 ] [ 0.2584247 -0.0679511 -1.7842743 ] [ 1.5730062 -0.3969557 0.7886123 ] [ -0.3298405 0.0435691 -0.631947 ] [ 0.3885738 -0.5998787 1.6257911 ] [ 1.029843 -0.692581 -1.8009824 ] [ 0.4121321 2.0579197 0.3149131 ] [ 0.2344067 -0.517237 0.1147937 ] [ 0.4910339 -0.2066234 -0.6519704 ] [ 1.0051988 1.375574 -0.4872453 ] [ 0.0876241 0.9317203 -0.4869123 ] [ 2.0224535 0.9567594 -0.1603223 ] [ 2.4754921 0.4113419 1.3407009 ] [ 0.9582191 0.8456636 -0.388937 ] [ 0.7286986 -0.8254134 0.3185567 ] [ 1.6867421 -0.6290321 -1.4248233 ] [ -0.2607002 -0.2352758 2.7741245 ] [ -0.329092 -0.3402766 -1.135261 ] [ -1.8810957 0.0868856 -0.262836 ] [ -0.3703867 1.7779023 -0.5894962 ] [ -1.5274996 0.183569 1.5459234 ] [ -0.5640676 -0.0816145 -0.803338 ] [ 1.1937616 -0.0395374 -1.3191258 ] [ 0.6875372 0.3283769 1.0166471 ] [ 0.7520769 0.3570892 -3.1278649 ] [ 0.5591868 -0.239074 3.3419544 ] [ 1.2372942 0.0585275 -0.7712029 ] [ 0.5520546 0.7718324 0.8635534 ] [ -0.812294 0.9612289 -1.1470664 ] [ 0.0498923 0.8281414 1.4408628 ] [ -0.0381533 -0.0606618 -0.1538036 ] [ 0.8015057 -0.3372141 0.1414609 ] [ 1.6725313 -0.631954 0.0991951 ] [ 1.4317054 -0.8515039 -0.3284559 ] [ 2.1813334 0.0143234 0.5086889 ] [ 1.4063655 0.803985 -1.493681 ] [ 0.9596228 0.2423915 1.3931347 ] [ 0.2694576 0.2741496 -0.2457431 ] [ -0.1781867 1.8955454 0.0364847 ] [ 0.1929679 0.500779 0.0329747 ] [ -0.3090352 -0.0789758 -0.6623215 ] [ -0.2652359 0.5186349 0.0638353 ] [ -1.7878523 -1.2619224 -1.3675565 ] [ -1.4793442 -0.5401216 0.7813497 ] [ -0.4163094 0.8455469 0.6572278 ] [ -0.8477812 0.0304339 0.2605428 ] [ -0.9154375 -0.6023222 -0.1847222 ] [ -1.9762812 -0.2984274 -0.824406 ] [ -2.2085719 0.4387335 2.4627952 ] [ -1.202847 -0.106596 -0.922089 ] [ -2.0848702 -1.8877826 0.3667471 ] [ -1.0240637 -1.2372837 1.0578139 ] [ -0.0397881 -2.4001241 -0.4822718 ] [ -1.7968284 -2.8665532 0.0003956 ] [ -0.9439448 -0.3959075 -0.4868827 ] [ -1.2483659 -1.1868578 -0.7472337 ] [ -0.8450654 -1.1585208 0.892505 ] [ -1.1666852 0.0689807 0.1662428 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 1.00672e-11 8.99987e-12 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0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.593729605051097e-16 "source-value" 1618.8787 } }