{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.441642 1.737365 1.840337 ] [ 1.815126 3.688812 0.8905128 ] [ 2.603472 3.479991 3.236515 ] [ 3.869651 3.231599 1.101882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.441642e-10 1.737365e-10 1.840337e-10 ] [ 1.815126e-10 3.688812e-10 8.905128000000001e-11 ] [ 2.603472e-10 3.479991e-10 3.236515e-10 ] [ 3.869651e-10 3.231599e-10 1.101882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.750479 -6.2410972 0.5586504 ] [ -5.6948253 3.1154913 -1.4662524 ] [ 0.2004303 1.9348179 1.4814561 ] [ 7.244874 1.190788 -0.5738541 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.804576552107686e-09 -9.999340104362822e-09 8.950566174547535e-10 ] [ -9.124116030372039e-09 4.991567364290283e-09 -2.349195334826421e-09 ] [ 3.211247434056102e-10 3.099920030424948e-09 2.373554347716767e-09 ] [ 1.160756783907412e-08 1.907852709647592e-09 -9.194156303450994e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0017584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.442240697339322e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.383235 1.5602021 1.7971967 ] [ 1.6521759 3.7383883 0.9266176 ] [ 2.6459772 3.5821094 3.1682211 ] [ 4.048503 3.2570673 1.1772115 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.383235e-10 1.5602021e-10 1.7971967e-10 ] [ 1.6521759e-10 3.7383883e-10 9.266176e-11 ] [ 2.6459772e-10 3.5821094e-10 3.1682211e-10 ] [ 4.048503e-10 3.2570673e-10 1.1772115e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1e-07 1e-07 ] [ 0.0 2e-07 -0.0 ] [ -1e-07 -1e-07 0.0 ] [ 1e-07 0.0 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -1.602176634e-16 1.602176634e-16 ] [ 0.0 3.204353268e-16 0.0 ] [ -1.602176634e-16 -1.602176634e-16 0.0 ] [ 1.602176634e-16 0.0 -1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.513855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.684505281426407e-18 } }