{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.08883e-09 0.0 0.0 ] "source-value" [ 10.8883 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] "source-value" [ -5.08893 9.25118 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] "source-value" [ 0.000292429 -0.0106915 10.0599 ] } "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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2.3878878 -1.4992678 3.9672628 ] [ -0.6634052 1.2394763 -1.5642135 ] [ -2.3052223 1.5392724 0.4936495 ] [ -0.9429057 1.0023194 3.7817639 ] [ -5.6157645 5.0388809 -3.3023304 ] [ 0.2544746 -3.0277681 4.7805168 ] [ 1.5588092 1.4612773 -4.4764401 ] [ 2.7929432 -1.1062487 10.1398336 ] [ -0.9437332 -3.5313412 0.0513961 ] [ -0.723545 1.9264792 0.7773374 ] [ 7.7894389 -0.0921088 -13.1263763 ] [ 0.7848196 0.132937 1.1349726 ] [ -2.9764475 -3.3773414 5.5185003 ] [ 4.8880988 -3.1644175 1.9341071 ] [ 0.0497742 -2.4732734 -9.6407862 ] [ 1.8442767 -0.072611 19.8160608 ] [ -2.1192283 7.0188084 -2.6441743 ] [ 1.078236 -1.0714926 -5.0023495 ] [ 7.6837814 -3.0447803 -4.2251735 ] [ 0.750423 2.1012413 8.8534282 ] [ 7.1760966 -1.8072641 -3.9197109 ] [ -2.3898106 2.4164099 3.7437127 ] [ -3.8271437 12.3711119 -11.6643116 ] [ 2.5811288 1.9699657 22.1070921 ] [ 6.000275 -3.0776916 -2.0634691 ] [ 2.7745082 -2.2703609 -1.5229966 ] [ 0.0327536 -1.1505077 -20.1619385 ] [ 6.2673559 -8.2514167 41.7028931 ] [ -0.3005704 2.6842246 2.3818712 ] [ -1.6548758 4.6302599 0.5339629 ] [ -0.5341686 4.9676164 -48.6457307 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ 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8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.916329950478784e-17 "source-value" -182.023 } }