{ "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" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 321.0452991 -1570.0820839 237.4458726 ] [ -676.1448116 667.9871832 398.5669297 ] [ 1730.0016116 2010.5401533 -270.4276383 ] [ -1364.1736103 -1106.8179769 -363.61827 ] [ -10.7284888 -1.6272756 -1.966894 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.143712724357634e-07 -2.515548807561524e-06 3.804302257851753e-07 ] [ -1.083303409420741e-06 1.070233447917087e-06 6.385746165893772e-07 ] [ 2.771768136051842e-06 3.221240428796908e-06 -4.332728397024187e-07 ] [ -2.18564706513499e-06 -1.773317886070335e-06 -5.82580691089742e-07 ] [ -1.718893393187465e-08 -2.607182921918293e-09 -3.151311582391795e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 981.31465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.572239389878535e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.9747879 -0.6667316 1.072697 ] [ 0.0853191 1.5959447 2.0108923 ] [ 2.9711176 3.0688331 0.3865553 ] [ 1.1604049 1.473535 -0.4023943 ] [ 1.9430033 3.1857346 2.6947507 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.747879000000001e-11 -6.667316e-11 1.072697e-10 ] [ 8.53191e-12 1.5959447e-10 2.0108923e-10 ] [ 2.9711176e-10 3.0688331e-10 3.865553e-11 ] [ 1.1604049e-10 1.473535e-10 -4.023943e-11 ] [ 1.9430033e-10 3.1857346e-10 2.6947507e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.28e-05 -1.27e-05 -1.33e-05 ] [ -2.14e-05 -3.83e-05 1.82e-05 ] [ 1.89e-05 -6.4e-06 -1.21e-05 ] [ 1.04e-05 1.71e-05 8.6e-06 ] [ 5e-06 4.04e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.050786074624e-14 -2.034764308416e-14 -2.130894905664e-14 ] [ -3.428657968511999e-14 -6.136336457664001e-14 2.915961449856e-14 ] [ 3.028113813312e-14 -1.025393037312e-14 -1.938633711168e-14 ] [ 1.666263685632e-14 2.739722021568e-14 1.377871893888e-14 ] [ 8.010883104e-15 6.472793548032e-14 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }