{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6707628 1.339581 -0.5845942 ] [ -5.1124242 -1.7659236 0.0367136 ] [ -13.5920061 48.3829669 -17.9907661 ] [ 21.4738061 -49.8849239 -10.7832301 ] [ -3.4401386 1.9282995 29.321877 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.074680476262346e-09 2.146245359867885e-09 -9.366231598952794e-10 ] [ -8.191006528852145e-09 -2.829321506038971e-09 5.882167158540288e-11 ] [ -2.177679440319099e-08 7.751805841212026e-08 -2.88243848357012e-08 ] [ 3.440483009301243e-08 -7.992445880296716e-08 -1.727663916292685e-08 ] [ -5.511709637231643e-09 3.08947637680033e-09 4.697882580737324e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.4966092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.204362133114191e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4695926 0.7899752 2.7951093 ] [ -0.0470848 1.8396305 0.850739 ] [ 1.8844025 2.5842018 -0.0789265 ] [ 3.5947999 1.9947168 1.2908766 ] [ 2.7203989 0.8858225 3.0671316 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.695926e-11 7.899752e-11 2.7951093e-10 ] [ -4.708480000000001e-12 1.8396305e-10 8.50739e-11 ] [ 1.8844025e-10 2.584201800000001e-10 -7.89265e-12 ] [ 3.5947999e-10 1.9947168e-10 1.2908766e-10 ] [ 2.720398900000001e-10 8.858225e-11 3.0671316e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.46e-05 -1.68e-05 2.67e-05 ] [ 1.33e-05 -6e-07 3.9e-06 ] [ 1.02e-05 1.16e-05 -1.87e-05 ] [ 4.4e-06 7.1e-06 -1.14e-05 ] [ -1.33e-05 -1.3e-06 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.339177866368e-14 -2.691656722944e-14 4.277811577536e-14 ] [ 2.130894905664e-14 -9.6130597248e-16 6.24848882112e-15 ] [ 1.634220153216e-14 1.858524880128e-14 -2.996070280896e-14 ] [ 7.04957713152e-15 1.137545400768e-14 -1.826481347712e-14 ] [ -2.130894905664e-14 -2.08282960704e-15 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -15.066442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41391011310392e-18 } }