{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5484967 1.2018259 -0.5946128 ] [ -3.9735069 2.7878405 3.4864277 ] [ 1.3386773 1.5335263 -3.5408581 ] [ 0.5159295 -4.6975077 0.6194987 ] [ 1.5704035 -0.825685 0.0295445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.787885893259514e-10 1.925537359251919e-09 -9.526747265884263e-10 ] [ -6.366259857767484e-09 4.466612871619382e-09 5.585872951049516e-09 ] [ 2.144797472855668e-09 2.456979985241927e-09 -5.673080065390309e-09 ] [ 8.266101828810337e-10 -7.52623701296798e-09 9.92546333755993e-10 ] [ 2.516063772922493e-09 -1.322893203145248e-09 4.73355071732256e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -18.679662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.992811774084617e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8881699 2.2970034 2.85054 ] [ 2.7074571 3.2397219 2.008345 ] [ 2.2815082 3.3852177 4.1855356 ] [ 1.0277607 4.5046891 2.7303163 ] [ 3.1229806 5.1227489 3.0989231 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.881699e-11 2.2970034e-10 2.85054e-10 ] [ 2.7074571e-10 3.2397219e-10 2.008345e-10 ] [ 2.2815082e-10 3.3852177e-10 4.1855356e-10 ] [ 1.0277607e-10 4.504689100000001e-10 2.7303163e-10 ] [ 3.1229806e-10 5.122748900000001e-10 3.0989231e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.57e-05 2.81e-05 -4e-06 ] [ -4.37e-05 -2.36e-05 -1.49e-05 ] [ 1.1e-06 2.23e-05 -6.4e-06 ] [ 3.38e-05 -2.8e-05 -4.5e-06 ] [ -1.7e-05 1.1e-06 2.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.117593915456e-14 4.502116304448e-14 -6.4087064832e-15 ] [ -7.001511832895999e-14 -3.781136825088e-14 -2.387243164992e-14 ] [ 1.76239428288e-15 3.572853864384e-14 -1.025393037312e-14 ] [ 5.415356978304e-14 -4.48609453824e-14 -7.2097947936e-15 ] [ -2.72370025536e-14 1.76239428288e-15 4.790508096192e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }