{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2695215 -18.3844496 -49.9193196 ] [ -23.0522746 18.4469245 33.8354651 ] [ 0.7608639 -3.4622465 -2.2785865 ] [ 1.3118709 -1.5997453 0.4177103 ] [ 17.7100183 4.999517 17.9447306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.238350908502947e-09 -2.945513533539591e-08 -7.99795667893632e-08 ] [ -3.693381542038168e-08 2.955523115956273e-08 5.421039113711433e-08 ] [ 1.219038352190709e-09 -5.547130397746628e-09 -3.650698018770499e-09 ] [ 2.101848885487855e-09 -2.563074518894682e-09 6.692456769273542e-10 ] [ 2.837457727420016e-08 8.010109252692153e-09 2.875062783387436e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.8084571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.090835078933977e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2093252 1.8394943 -0.2931463 ] [ 0.137692 3.3621444 1.4980914 ] [ 1.843673 0.2198816 0.1945923 ] [ 2.7821208 0.7415551 2.2872698 ] [ 1.7277641 2.6835782 3.0928783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.093252e-11 1.8394943e-10 -2.931463e-11 ] [ 1.37692e-11 3.3621444e-10 1.4980914e-10 ] [ 1.843673e-10 2.198816e-11 1.945923e-11 ] [ 2.7821208e-10 7.415551e-11 2.2872698e-10 ] [ 1.7277641e-10 2.6835782e-10 3.0928783e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 2e-07 -2e-07 ] [ -7e-07 2e-07 -1e-07 ] [ -3e-07 3e-07 -1e-07 ] [ 5e-07 -2e-07 1e-06 ] [ 5e-07 -5e-07 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 3.2043532416e-16 -3.2043532416e-16 ] [ -1.12152363456e-15 3.2043532416e-16 -1.6021766208e-16 ] [ -4.8065298624e-16 4.8065298624e-16 -1.6021766208e-16 ] [ 8.010883104e-16 -3.2043532416e-16 1.6021766208e-15 ] [ 8.010883104e-16 -8.010883104e-16 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.566682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853186748062819e-18 } }