{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7483578 -1.2643212 -4.9313478 ] [ -2.8931855 -3.0300851 5.0225048 ] [ 0.8791504 2.5904917 -0.7681129 ] [ -0.2240928 3.9323199 3.0673142 ] [ 3.6212092 -5.2232656 -5.7866737 ] [ 4.1720514 2.352203 3.7357036 ] [ -0.8067749 0.6426572 -0.3393883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.607707917031644e-09 -2.02566588451084e-09 -7.900890219287305e-09 ] [ -4.635394205927607e-09 -4.854731546251553e-09 8.046939834712843e-09 ] [ 1.408554228651754e-09 4.150425272310937e-09 -1.230652540653978e-09 ] [ -3.590362480076351e-10 6.300271061193216e-09 4.914379140376403e-09 ] [ 5.801816767065832e-09 -8.36859409749599e-09 -9.271273390722326e-09 ] [ 6.684363268926986e-09 3.768644685024701e-09 5.985257019469681e-09 ] [ -1.292595893677687e-09 1.029650349511865e-09 -5.437600041129821e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.537698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.008760677974853e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6659572 1.8921186 2.3200405 ] [ 1.9594786 1.8878458 4.7244398 ] [ 2.341011 4.2897747 2.3246418 ] [ 2.0600279 4.4533657 4.8153596 ] [ 4.0244507 1.139689 1.8949702 ] [ 4.3407519 2.4284122 4.6463045 ] [ 4.6433907 3.55823 2.5013647 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6659572e-10 1.8921186e-10 2.3200405e-10 ] [ 1.9594786e-10 1.8878458e-10 4.7244398e-10 ] [ 2.341011e-10 4.2897747e-10 2.3246418e-10 ] [ 2.0600279e-10 4.4533657e-10 4.8153596e-10 ] [ 4.0244507e-10 1.139689e-10 1.8949702e-10 ] [ 4.3407519e-10 2.4284122e-10 4.646304500000001e-10 ] [ 4.643390700000001e-10 3.55823e-10 2.5013647e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 5.28e-05 4.5e-06 ] [ 1e-07 -1.16e-05 -2.6e-05 ] [ 1.4e-05 2.2e-06 3.27e-05 ] [ -1.61e-05 -3.48e-05 -2.58e-05 ] [ -2.12e-05 -8.98e-05 0.0001136 ] [ 1.15e-05 -4.75e-05 -6.57e-05 ] [ 8.9e-06 0.0001288 -3.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-15 8.45949262752e-14 7.209794853e-15 ] [ 1.602176634e-16 -1.85852489544e-14 -4.165659248399999e-14 ] [ 2.243047287599999e-14 3.5247885948e-15 5.23911759318e-14 ] [ -2.579504380739999e-14 -5.575574686319999e-14 -4.133615715719999e-14 ] [ -3.39661446408e-14 -1.438754617332e-13 1.820072656224e-13 ] [ 1.8425031291e-14 -7.6103390115e-14 -1.052630048538e-13 ] [ 1.42593720426e-14 2.063603504591999e-13 -5.33524819122e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }