{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -212.7182605 -159.4476244 -40.6307149 ] [ -69.5604502 -497.0238822 -87.0532371 ] [ -0.7076896 515.8011648 102.0248646 ] [ 193.8694825 51.8554199 -594.7920037 ] [ 204.8751091 -621.5553593 349.768783 ] [ -115.7581913 710.3702813 270.6823081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.408122237903442e-07 -2.554632560557797e-07 -6.509758149917022e-08 ] [ -1.114481270427627e-07 -7.963200440400933e-07 -1.394746612465792e-07 ] [ -1.133843731903304e-09 8.26404567223968e-07 1.634618528024056e-07 ] [ 3.106131523480948e-07 8.308154142554708e-08 -9.529618425669272e-07 ] [ 3.282461099838693e-07 -9.958414652034038e-07 5.603913668082685e-07 ] [ -1.85465067766954e-07 1.138138656809979e-06 4.336808657020025e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 386.64783 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.194781137090528e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7167789 -0.1018937 -0.0846516 ] [ 0.3606424 -0.2065292 2.4197067 ] [ -0.0621491 2.2256669 2.9811886 ] [ 2.8961171 1.1261927 0.3787388 ] [ 2.8678992 0.1070758 2.8185487 ] [ 2.3779556 2.6745285 2.4182925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.167789e-11 -1.018937e-11 -8.46516e-12 ] [ 3.606424e-11 -2.065292e-11 2.4197067e-10 ] [ -6.21491e-12 2.2256669e-10 2.9811886e-10 ] [ 2.8961171e-10 1.1261927e-10 3.787388e-11 ] [ 2.8678992e-10 1.070758e-11 2.8185487e-10 ] [ 2.3779556e-10 2.6745285e-10 2.418292500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.07e-05 -2.5e-06 -1.85e-05 ] [ 7e-07 1.9e-06 -1.74e-05 ] [ 2.9e-06 -2.5e-06 1.01e-05 ] [ -1.13e-05 -8.2e-06 1.07e-05 ] [ 1.36e-05 1.41e-05 2.07e-05 ] [ 4.8e-06 -2.9e-06 -5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.714328984256e-14 -4.005441552e-15 -2.96402674848e-14 ] [ 1.12152363456e-15 3.04413557952e-15 -2.787787320192e-14 ] [ 4.646312200320001e-15 -4.005441552e-15 1.618198387008e-14 ] [ -1.810459581504e-14 -1.313784829056e-14 1.714328984256e-14 ] [ 2.178960204288e-14 2.259069035328e-14 3.316505605055999e-14 ] [ 7.69044777984e-15 -4.646312200320001e-15 -8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.216936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.239110220340987e-18 } }