{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4027357 -1.7229515 -4.1724447 ] [ -1.6059231 -2.117603 4.7976131 ] [ -0.5780581 3.5649334 1.7524024 ] [ 3.7441507 -2.610568 -0.1912914 ] [ -0.0849748 2.5620189 -3.9848436 ] [ -0.072459 0.3241701 1.7985643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.247430343701523e-09 -2.760472612072291e-09 -6.68499334992087e-09 ] [ -2.572972445622661e-09 -3.392774018735942e-09 7.686623544463814e-09 ] [ -9.261511732840685e-10 5.711652948189055e-09 2.80765815551381e-09 ] [ 5.998790716291955e-09 -4.182591016608615e-09 -3.064826088401011e-10 ] [ -1.361446379171558e-10 4.104806783627733e-09 -6.384423253464507e-09 ] [ -1.160921157665472e-10 5.193777553823981e-10 2.881617672465518e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.669057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.350242017458259e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2251491 1.3604977 0.4942197 ] [ 0.8672255 0.1227333 2.423096 ] [ 0.3528346 2.438889 2.6121619 ] [ 3.0906968 0.6493636 2.0208828 ] [ 2.4486182 1.8871519 0.0920182 ] [ 2.5763089 2.9655207 2.2099626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.251491e-11 1.3604977e-10 4.942197e-11 ] [ 8.672255e-11 1.227333e-11 2.423096e-10 ] [ 3.528346e-11 2.438889e-10 2.6121619e-10 ] [ 3.0906968e-10 6.493636e-11 2.0208828e-10 ] [ 2.4486182e-10 1.8871519e-10 9.20182e-12 ] [ 2.5763089e-10 2.9655207e-10 2.2099626e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 2.09e-05 -1.07e-05 ] [ 1.56e-05 2.03e-05 -9.1e-06 ] [ 3.71e-05 -3.26e-05 -1.4e-05 ] [ -1.72e-05 3.03e-05 1.6e-05 ] [ -2.53e-05 -2.95e-05 1.1e-06 ] [ -7.3e-06 -9.4e-06 1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 3.348549137472e-14 -1.714328984256e-14 ] [ 2.499395528448e-14 3.252418540224e-14 -1.457980724928e-14 ] [ 5.944075263168e-14 -5.223095783807999e-14 -2.24304726912e-14 ] [ -2.755743787776e-14 4.854595161024e-14 2.56348259328e-14 ] [ -4.053506850624e-14 -4.72642103136e-14 1.76239428288e-15 ] [ -1.169588933184e-14 -1.506046023552e-14 2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }