{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4830775 -2.6618078 -3.6116726 ] [ 1.6487921 0.453945 -0.1521216 ] [ -1.1681198 -1.6237454 2.5411871 ] [ -2.3880037 -0.7033486 -1.2724496 ] [ 0.8470584 1.4579252 1.6497751 ] [ 0.1152347 0.145207 -0.4231986 ] [ 3.4281158 2.9318247 1.2684802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.978328718134512e-09 -4.264686226223083e-09 -5.78653740170395e-09 ] [ 2.641656155179736e-09 7.27300066129056e-10 -2.437256710386893e-10 ] [ -1.871534233853572e-09 -2.601526918011544e-09 4.071430560698552e-09 ] [ -3.826003698523897e-09 -1.126888683192411e-09 -2.038689000266312e-09 ] [ 1.357137164932255e-09 2.335853670315164e-09 2.643231094797982e-09 ] [ 1.846263422449018e-10 2.326472605765056e-10 -6.780389028752908e-10 ] [ 5.492446988155089e-09 4.697300990623974e-09 2.032329320387708e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.060588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.772101550590103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6320473 2.7042606 1.1122682 ] [ 2.8741266 0.8973327 3.9429426 ] [ 2.0838494 2.9589785 3.3430199 ] [ 3.9145824 0.9244051 1.7252888 ] [ 5.0761238 1.9194088 3.6145402 ] [ 4.0817044 4.4400197 1.3347435 ] [ 4.1383601 3.9946064 3.5623556 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6320473e-10 2.7042606e-10 1.1122682e-10 ] [ 2.8741266e-10 8.973327e-11 3.9429426e-10 ] [ 2.0838494e-10 2.9589785e-10 3.3430199e-10 ] [ 3.9145824e-10 9.244051e-11 1.7252888e-10 ] [ 5.0761238e-10 1.9194088e-10 3.6145402e-10 ] [ 4.0817044e-10 4.4400197e-10 1.3347435e-10 ] [ 4.1383601e-10 3.9946064e-10 3.5623556e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.5e-06 -8.7e-06 1.91e-05 ] [ -1.72e-05 1.9e-06 3e-07 ] [ 5.2e-06 -4.4e-06 8e-07 ] [ 8e-06 2.68e-05 1.3e-06 ] [ 2.8e-06 -1.35e-05 1.05e-05 ] [ -1.09e-05 1.18e-05 -2.3e-06 ] [ 2.6e-06 -1.39e-05 -2.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.52206778976e-14 -1.393893660096e-14 3.060157345728e-14 ] [ -2.755743787776e-14 3.04413557952e-15 4.8065298624e-16 ] [ 8.33131842816e-15 -7.04957713152e-15 1.28174129664e-15 ] [ 1.28174129664e-14 4.293833343744e-14 2.08282960704e-15 ] [ 4.48609453824e-15 -2.16293843808e-14 1.68228545184e-14 ] [ -1.746372516672e-14 1.890568412544e-14 -3.68500622784e-15 ] [ 4.16565921408e-15 -2.227025502912e-14 -4.758464563776e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.4213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.310546970154304e-18 } }