{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.9675233 -18.4616494 -4.5270921 ] [ 14.7287831 -10.3127311 -5.9803448 ] [ 12.4063988 -45.5015791 16.2725662 ] [ 23.1781642 24.3475787 -13.9686288 ] [ -19.3510021 11.4963669 -37.0489678 ] [ 13.9462734 4.5434822 31.4124787 ] [ -16.9410941 33.8885318 13.8399886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.480891197293927e-08 -2.957882305008635e-08 -7.253201122828375e-09 ] [ 2.359811193565415e-08 -1.652281666501707e-08 -9.581568622882852e-09 ] [ 1.987724210568118e-08 -7.290156624350191e-08 2.60715251260603e-08 ] [ 3.713551279430354e-08 3.900912136622805e-08 -2.238021048799356e-08 ] [ -3.10037231536717e-08 1.841921027131897e-08 -5.935899003393201e-08 ] [ 2.234439318876493e-08 7.27946095786095e-09 5.032833897451798e-08 ] [ -2.714262489779282e-08 5.429541336319735e-08 2.217410616705852e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.698754 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.636741298009049e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5378631 1.7764282 2.1928758 ] [ 6.1792465 2.1093924 2.0985844 ] [ 4.4420505 1.420025 3.5479098 ] [ 5.2156685 3.8741972 0.8482484 ] [ 3.012797 4.0378415 1.6933477 ] [ 4.2363963 3.1828507 5.1111611 ] [ 3.2728871 4.9477199 3.8608558 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5378631e-10 1.7764282e-10 2.1928758e-10 ] [ 6.1792465e-10 2.1093924e-10 2.0985844e-10 ] [ 4.4420505e-10 1.420025e-10 3.5479098e-10 ] [ 5.2156685e-10 3.8741972e-10 8.482484e-11 ] [ 3.012797e-10 4.0378415e-10 1.6933477e-10 ] [ 4.2363963e-10 3.1828507e-10 5.1111611e-10 ] [ 3.2728871e-10 4.9477199e-10 3.8608558e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.18e-05 3.94e-05 3.1e-05 ] [ 9e-06 -5.17e-05 -1.71e-05 ] [ 4.29e-05 -3.13e-05 8.1e-06 ] [ -2e-07 3.83e-05 -3.5e-06 ] [ 1.52e-05 -1.2e-05 -3.77e-05 ] [ -2.51e-05 3.08e-05 -1.39e-05 ] [ -3e-05 -1.35e-05 3.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.890568412544e-14 6.312575885952001e-14 4.96674752448e-14 ] [ 1.44195895872e-14 -8.283253129536002e-14 -2.739722021568e-14 ] [ 6.873337703232e-14 -5.014812823104e-14 1.297763062848e-14 ] [ -3.2043532416e-16 6.136336457664001e-14 -5.6076181728e-15 ] [ 2.435308463616e-14 -1.92261194496e-14 -6.040205860416e-14 ] [ -4.021463318208e-14 4.934703992064001e-14 -2.227025502912e-14 ] [ -4.8065298624e-14 -2.16293843808e-14 5.319226381056e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }