{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 61.5297183 115.6894404 42.0202981 ] [ 79.9382605 -45.8093654 101.1521091 ] [ 103.4674571 12.2859454 -83.8121974 ] [ -83.3927779 32.4345195 33.3150817 ] [ -38.082104 26.2112696 -45.4944633 ] [ -18.1141631 -3.6457025 20.1711003 ] [ -105.3463909 -137.166107 -67.3519284 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.858147695686218e-08 1.853549182094156e-07 6.732393976953459e-08 ] [ 1.280752131357052e-07 -7.339469486224805e-08 1.620635456798388e-07 ] [ 1.657731421450174e-07 1.968425464647978e-08 -1.342819443184755e-07 ] [ -1.336099601957316e-07 5.196582927791736e-08 5.337664545954099e-08 ] [ -6.101425720235793e-08 4.199508370059453e-08 -7.289016607563052e-08 ] [ -2.9022088863285e-08 -5.841059360015385e-09 3.231766558273039e-08 ] [ -1.687835259762102e-07 -2.197643316121438e-07 -1.07909685937321e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 4.798839723632835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.688588875515545e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 61.5297183 115.6894404 42.0202981 ] [ 79.9382605 -45.8093654 101.1521091 ] [ 103.4674571 12.2859454 -83.8121974 ] [ -83.3927779 32.4345195 33.3150817 ] [ -38.082104 26.2112696 -45.4944633 ] [ -18.1141631 -3.6457025 20.1711003 ] [ -105.3463909 -137.166107 -67.3519284 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.858147695686218e-08 1.853549182094156e-07 6.732393976953459e-08 ] [ 1.280752131357052e-07 -7.339469486224805e-08 1.620635456798388e-07 ] [ 1.657731421450174e-07 1.968425464647978e-08 -1.342819443184755e-07 ] [ -1.336099601957316e-07 5.196582927791736e-08 5.337664545954099e-08 ] [ -6.101425720235793e-08 4.199508370059453e-08 -7.289016607563052e-08 ] [ -2.9022088863285e-08 -5.841059360015385e-09 3.231766558273039e-08 ] [ -1.687835259762102e-07 -2.197643316121438e-07 -1.07909685937321e-07 ] ] } "relaxed-potential-energy" { "source-value" 4.798839723632835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.688588875515545e-19 } }