{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9188505 -1.4685647 -4.0774703 ] [ -2.6138915 1.8629596 0.3977084 ] [ 2.7652765 -0.0046672 -1.5398692 ] [ -1.5105546 -2.275192 1.4183313 ] [ 3.1745935 -3.5283946 0.5475772 ] [ -0.8277938 4.1976143 3.1059203 ] [ 0.9312205 1.2162446 0.1478024 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.074337435239217e-09 -2.35290004785722e-09 -6.532827640488969e-09 ] [ -4.18791588511121e-09 2.984790341205986e-09 6.371991056255255e-10 ] [ 4.430461394849301e-09 -7.4776787862048e-12 -2.467142451656273e-09 ] [ -2.420175284501216e-09 -3.645259460263727e-09 2.272417268130844e-09 ] [ 5.086259528148278e-09 -5.653111383651776e-09 8.773153951511446e-10 ] [ -1.326271884130069e-09 6.725319550004265e-09 4.97623293172627e-09 ] [ 1.491979726201797e-09 1.948638679348676e-09 2.368055517291216e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.522996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.846187494487546e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4745932 2.3995365 0.5254775 ] [ 2.211636 4.642453 1.7373055 ] [ 4.7584714 2.2157122 1.4575869 ] [ 4.3640067 1.0727822 3.5218931 ] [ 6.6125641 0.4245439 4.2203447 ] [ 4.084269 3.2229553 4.7571116 ] [ 4.5250435 4.379921 2.5941733 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4745932e-10 2.3995365e-10 5.254775000000001e-11 ] [ 2.211636e-10 4.642453e-10 1.7373055e-10 ] [ 4.7584714e-10 2.2157122e-10 1.4575869e-10 ] [ 4.3640067e-10 1.0727822e-10 3.5218931e-10 ] [ 6.612564100000001e-10 4.245439e-11 4.2203447e-10 ] [ 4.084269e-10 3.2229553e-10 4.7571116e-10 ] [ 4.5250435e-10 4.379921000000001e-10 2.5941733e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -7.7e-06 3.1e-06 ] [ -1.47e-05 5.5e-06 6.8e-06 ] [ -1.27e-05 3.7e-06 -1.22e-05 ] [ -2.79e-05 5.06e-05 -4.86e-05 ] [ 4.05e-05 -1.72e-05 4.15e-05 ] [ -3.9e-06 -1.09e-05 1.39e-05 ] [ 2.11e-05 -2.39e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.685006258199999e-15 -1.23367600818e-14 4.9667475654e-15 ] [ -2.35519965198e-14 8.811971486999999e-15 1.08948011112e-14 ] [ -2.03476432518e-14 5.9280535458e-15 -1.95465549348e-14 ] [ -4.470072808859999e-14 8.107013768039999e-14 -7.786578441239999e-14 ] [ 6.4888153677e-14 -2.75574381048e-14 6.649033031099999e-14 ] [ -6.248488872599999e-15 -1.74637253106e-14 2.22702552126e-14 ] [ 3.38059269774e-14 -3.82920215526e-14 -7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.011563 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.885770538041894e-18 } }