{ "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" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5967915 -7.7480212 4.0204384 ] [ -12.8031492 10.7482074 -4.7146557 ] [ 6.5461701 -9.9807802 -13.0084224 ] [ 8.0461849 7.6307054 -0.2524987 ] [ 4.8075857 -0.6501113 13.9551384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.056922511359216e-08 -1.241369842410276e-08 6.441452409846559e-09 ] [ -2.051290632085422e-08 1.722052661178955e-08 -7.553711137661459e-09 ] [ 1.048812069e-08 -1.599097269378355e-08 -2.084179024277103e-08 ] [ 1.289140933341399e-08 1.222573779209231e-08 -4.04547513922393e-10 ] [ 7.702601411032402e-09 -1.041593125777895e-09 2.235859648450832e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.4027014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.053905251443429e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1154536 0.4535967 1.6418689 ] [ -0.1752293 2.822319 0.868586 ] [ 1.9908603 0.5145717 -0.0231949 ] [ 2.3300946 2.7835358 0.9917074 ] [ 1.8526868 1.5188149 3.104961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.154536e-11 4.535967e-11 1.6418689e-10 ] [ -1.752293e-11 2.822319e-10 8.68586e-11 ] [ 1.9908603e-10 5.145717e-11 -2.31949e-12 ] [ 2.3300946e-10 2.7835358e-10 9.917074e-11 ] [ 1.8526868e-10 1.5188149e-10 3.104961e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 2e-07 1e-06 ] [ 7e-07 2.2e-06 3.7e-06 ] [ 3.3e-06 -1.5e-06 6.9e-06 ] [ 1.4e-06 9.2e-06 -1.34e-05 ] [ -5.4e-06 -1.02e-05 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 3.2043532416e-16 1.6021766208e-15 ] [ 1.12152363456e-15 3.52478856576e-15 5.928053496960001e-15 ] [ 5.28718284864e-15 -2.4032649312e-15 1.105501868352e-14 ] [ 2.24304726912e-15 1.474002491136e-14 -2.146916671872e-14 ] [ -8.65175375232e-15 -1.634220153216e-14 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }