{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5868136 -1.1083669 -0.9471275 ] [ 5.0123759 1.2178915 -0.0076137 ] [ -1.8914679 2.6498895 -3.2548894 ] [ -1.5271157 -2.4471094 1.1874464 ] [ 2.8230673 -6.5776551 -1.9432955 ] [ -1.341471 1.737432 6.8627287 ] [ 3.5114248 4.5279183 -1.897249 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.055323884243342e-08 -1.775799549079014e-09 -1.517465549918835e-09 ] [ 8.03071154780472e-09 1.951277304047211e-09 -1.21984922382858e-11 ] [ -3.030465673341048e-09 4.245591039581943e-09 -5.21490774293428e-09 ] [ -2.446709091954554e-09 -3.920701501521759e-09 1.902498876207417e-09 ] [ 4.523052464269468e-09 -1.053856530773093e-08 -3.113502643057347e-09 ] [ -2.149273491388614e-09 2.783672953563888e-09 1.099530356862119e-08 ] [ 5.625922766608122e-09 7.254524900921e-09 -3.039728016679866e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.417207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.309891218294124e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4022278 0.1008439 1.09717 ] [ 1.913047 1.0667942 2.7044901 ] [ 2.375995 3.5082642 2.514057 ] [ 1.4232234 0.7490836 5.0950095 ] [ 4.3245796 0.4686327 2.5093408 ] [ 3.4786013 2.0654878 5.8966872 ] [ 4.4763299 2.7084596 3.7024753 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.022278000000001e-11 1.008439e-11 1.09717e-10 ] [ 1.913047e-10 1.0667942e-10 2.7044901e-10 ] [ 2.375995e-10 3.5082642e-10 2.514057e-10 ] [ 1.4232234e-10 7.490836e-11 5.0950095e-10 ] [ 4.3245796e-10 4.686327e-11 2.5093408e-10 ] [ 3.4786013e-10 2.0654878e-10 5.8966872e-10 ] [ 4.4763299e-10 2.7084596e-10 3.7024753e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.16e-05 -4.4e-06 3.88e-05 ] [ -6.34e-05 3.55e-05 -7.02e-05 ] [ 8.1e-06 3.1e-06 -5e-06 ] [ -2.25e-05 -3.4e-06 2.73e-05 ] [ 4.01e-05 -3.84e-05 -3.11e-05 ] [ 1.07e-05 -1.3e-05 6.46e-05 ] [ -1.45e-05 2.07e-05 -2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.665054797439999e-14 -7.0495771896e-15 6.21644533992e-14 ] [ -1.015779985956e-13 5.6877270507e-14 -1.124727997068e-13 ] [ 1.29776307354e-14 4.9667475654e-15 -8.010883169999999e-15 ] [ -3.6048974265e-14 -5.4474005556e-15 4.37394221082e-14 ] [ 6.42472830234e-14 -6.152358274559999e-14 -4.982769331739999e-14 ] [ 1.71432899838e-14 -2.082829624199999e-14 1.035006105564e-13 ] [ -2.3231561193e-14 3.316505632379999e-14 -3.893289220619999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.641215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.30708723703703e-18 } }