{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1249554 12.6495298 6.302162 ] [ 9.0829239 11.4099992 -11.4793982 ] [ 0.3372716 0.1940438 -21.0225368 ] [ -13.0635969 -2.9733955 -17.201852 ] [ -9.9850372 -25.0680117 25.9708367 ] [ 16.4829725 -4.6290276 2.9595298 ] [ -2.7295785 8.416862 14.4712586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.002006221721236e-10 2.026678107664669e-08 1.009717670008271e-08 ] [ 1.455244844098015e-08 1.828083411219869e-08 -1.839202356842166e-08 ] [ 5.403686768317943e-10 3.108924423325692e-10 -3.368181724836513e-08 ] [ -2.093018970917483e-08 -4.763904793740747e-09 -2.756040533592616e-08 ] [ -1.599779329146078e-08 -4.016338260657861e-08 4.160986772616966e-08 ] [ 2.640863339836456e-08 -7.416519858861097e-09 4.741689493186693e-09 ] [ -4.373266893368769e-09 1.348529962800251e-08 2.318551239349155e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.9566482763671686 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.737072783351851e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1249554 12.6495298 6.302162 ] [ 9.0829239 11.4099992 -11.4793982 ] [ 0.3372716 0.1940438 -21.0225368 ] [ -13.0635969 -2.9733955 -17.201852 ] [ -9.9850372 -25.0680117 25.9708367 ] [ 16.4829725 -4.6290276 2.9595298 ] [ -2.7295785 8.416862 14.4712586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.002006221721236e-10 2.026678107664669e-08 1.009717670008271e-08 ] [ 1.455244844098015e-08 1.828083411219869e-08 -1.839202356842166e-08 ] [ 5.403686768317943e-10 3.108924423325692e-10 -3.368181724836513e-08 ] [ -2.093018970917483e-08 -4.763904793740747e-09 -2.756040533592616e-08 ] [ -1.599779329146078e-08 -4.016338260657861e-08 4.160986772616966e-08 ] [ 2.640863339836456e-08 -7.416519858861097e-09 4.741689493186693e-09 ] [ -4.373266893368769e-09 1.348529962800251e-08 2.318551239349155e-08 ] ] } "relaxed-potential-energy" { "source-value" -2.9566482763671686 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.737072783351851e-19 } }