{ "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" [ [ 1.691051 2.220945 1.919277 ] [ 2.666072 2.808957 4.219459 ] [ 1.090931 4.286689 3.184511 ] [ 3.947256 1.730986 2.765408 ] [ 5.245402 2.932614 3.956238 ] [ 3.932067 4.011287 2.276365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.691051e-10 2.220945e-10 1.919277e-10 ] [ 2.666072e-10 2.808957e-10 4.219459e-10 ] [ 1.090931e-10 4.286689e-10 3.184511e-10 ] [ 3.947256e-10 1.730986e-10 2.765408e-10 ] [ 5.245402000000001e-10 2.932614e-10 3.956238e-10 ] [ 3.932067e-10 4.011287e-10 2.276365e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.193884 -3.1828968 -7.0945104 ] [ -2.5614781 2.7970075 15.5260502 ] [ -2.7002578 3.617886 -0.6972888 ] [ -6.1126013 -20.9196882 -15.0494459 ] [ 17.2711814 6.5308792 16.2811007 ] [ -3.7029603 11.1568123 -8.9659058 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.514989653547187e-09 -5.099562839379133e-09 -1.136665869890246e-08 ] [ -4.103940326511205e-09 4.481300024702256e-09 2.487547464380716e-08 ] [ -4.326289917292843e-09 5.796492365919629e-09 -1.117179813305687e-09 ] [ -9.793466895131687e-09 -3.351703534846564e-08 -2.411187037697442e-08 ] [ 2.767148305267582e-08 1.046362196750901e-08 2.608519890243052e-08 ] [ -5.932796420410555e-09 1.787518382971388e-08 -1.436496465705512e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.244875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.64140992080184e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6604853 2.2214414 1.9156225 ] [ 2.5283805 2.456557 4.5541419 ] [ 1.5718002 4.5466741 3.2842361 ] [ 4.093002 1.3607613 2.524009 ] [ 4.9626465 3.3469073 4.1322773 ] [ 3.7564645 4.059137 1.9109711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6604853e-10 2.2214414e-10 1.9156225e-10 ] [ 2.5283805e-10 2.456557e-10 4.5541419e-10 ] [ 1.5718002e-10 4.5466741e-10 3.2842361e-10 ] [ 4.093002e-10 1.3607613e-10 2.524009e-10 ] [ 4.9626465e-10 3.3469073e-10 4.132277300000001e-10 ] [ 3.7564645e-10 4.059137e-10 1.9109711e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 5.7e-06 8.4e-06 ] [ -2.51e-05 -4.62e-05 7.58e-05 ] [ -1.48e-05 1.94e-05 -1.6e-06 ] [ -7e-06 -5.33e-05 -5.73e-05 ] [ -1.9e-06 5.72e-05 2.59e-05 ] [ 4.9e-05 1.73e-05 -5.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 9.13240673856e-15 1.345828361472e-14 ] [ -4.021463318208e-14 -7.402055988096e-14 1.2144498785664e-13 ] [ -2.371221398784e-14 3.108222644352e-14 -2.56348259328e-15 ] [ -1.12152363456e-14 -8.539601388864e-14 -9.180472037184001e-14 ] [ -3.04413557952e-15 9.164450270976e-14 4.149637447872e-14 ] [ 7.85066544192e-14 2.771765553984e-14 -8.17110076608e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.864633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182665057337217e-18 } }