{ "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" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2039637 1.2315835 13.8522729 ] [ -14.0347128 -2.0179529 -7.65977 ] [ -1.6175008 5.7642762 -1.7068259 ] [ 4.8844103 -11.8984546 -1.3772048 ] [ 0.6968232 0.7056252 -5.1629508 ] [ 6.8670164 6.2149227 2.0544786 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.133315734031865e-09 1.973214290263037e-09 2.219378778532142e-08 ] [ -2.248608872780251e-08 -3.233116958255561e-09 -1.227230441470521e-08 ] [ -2.591521965885297e-09 9.235388563473866e-09 -2.734636552755919e-09 ] [ 7.825687989054715e-09 -1.906342578377022e-08 -2.20652533261354e-09 ] [ 1.116433839871043e-09 1.130536198487324e-09 -8.271959066100658e-09 ] [ 1.100217313073018e-08 9.95740385001921e-09 3.291637580853915e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2637175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.003558173779583e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7855538 2.9944314 5.4115335 ] [ 1.1247177 2.8523304 3.5137978 ] [ 2.186815 4.9062235 2.6264895 ] [ 3.3737787 1.7122186 3.1901242 ] [ 3.693471 3.3730094 1.3001346 ] [ 4.3303488 4.1171766 3.7425405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7855538e-10 2.9944314e-10 5.4115335e-10 ] [ 1.1247177e-10 2.8523304e-10 3.5137978e-10 ] [ 2.186815e-10 4.9062235e-10 2.6264895e-10 ] [ 3.3737787e-10 1.7122186e-10 3.1901242e-10 ] [ 3.693471e-10 3.3730094e-10 1.3001346e-10 ] [ 4.3303488e-10 4.1171766e-10 3.7425405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 5.4e-06 -5.3e-06 ] [ -9e-07 2.65e-05 -9e-06 ] [ -5.5e-06 -2.67e-05 8.3e-06 ] [ 2.28e-05 1.19e-05 -6.6e-06 ] [ -9.6e-06 5e-07 1.99e-05 ] [ -4.2e-06 -1.77e-05 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-15 8.65175375232e-15 -8.491536090240001e-15 ] [ -1.44195895872e-15 4.24576804512e-14 -1.44195895872e-14 ] [ -8.8119714144e-15 -4.277811577536e-14 1.329806595264e-14 ] [ 3.652962695424e-14 1.906590178752e-14 -1.057436569728e-14 ] [ -1.538089555968e-14 8.010883104e-16 3.188331475392e-14 ] [ -6.72914180736e-15 -2.835852618816e-14 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.891841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.225718287007089e-18 } }