{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8400046 1.532021 0.3826554 ] [ 0.7979575 -0.3087476 -0.4140581 ] [ -2.254233 -2.7618033 -0.106891 ] [ -0.4732094 0.3796772 -0.2602285 ] [ 1.1221396 0.0140534 -1.1094999 ] [ 2.9595047 2.3138078 0.4809197 ] [ -0.3121548 -1.1690085 1.0271024 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.948012376572516e-09 2.454568248997314e-09 6.130815407539235e-10 ] [ 1.278468861425055e-09 -4.946681905235784e-10 -6.633942129384353e-10 ] [ -3.611679440191722e-09 -4.424896714964092e-09 -1.71258262584894e-10 ] [ -7.581650436691595e-10 6.083099383025448e-10 -4.169320222008689e-10 ] [ 1.797865847206106e-09 2.25160291082556e-11 -1.777614815205336e-09 ] [ 4.741649278553179e-09 3.707128792726945e-09 7.705183061702897e-10 ] [ -5.001271267509432e-10 -1.872958103647389e-09 1.645599466005321e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.309287005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.933471182583738e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7558048 5.3049997 2.9580021 ] [ 5.8705955 2.9790431 1.2382538 ] [ 3.0920785 2.896257 2.4649293 ] [ 5.2977213 2.6948571 3.4527031 ] [ 4.2219323 4.5870525 1.1436933 ] [ 5.2066831 5.1132055 3.2964805 ] [ 3.5637246 3.8838951 4.6920929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7558048e-10 5.304999699999999e-10 2.9580021e-10 ] [ 5.870595500000001e-10 2.9790431e-10 1.2382538e-10 ] [ 3.0920785e-10 2.896257e-10 2.4649293e-10 ] [ 5.2977213e-10 2.6948571e-10 3.4527031e-10 ] [ 4.2219323e-10 4.5870525e-10 1.1436933e-10 ] [ 5.2066831e-10 5.1132055e-10 3.2964805e-10 ] [ 3.5637246e-10 3.8838951e-10 4.6920929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 -1.08e-05 -1.02e-05 ] [ 5.96e-05 -4.34e-05 -6.1e-05 ] [ 7.4e-06 -3.84e-05 1.88e-05 ] [ -2.93e-05 1.06e-05 2.6e-05 ] [ -3.48e-05 7.73e-05 -4.91e-05 ] [ 8e-06 -2.73e-05 3.92e-05 ] [ -5.3e-06 3.2e-05 3.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.811971486999999e-15 -1.73035076472e-14 -1.63422016668e-14 ] [ 9.54897273864e-14 -6.953446591559999e-14 -9.773277467399998e-14 ] [ 1.18561070916e-14 -6.152358274559999e-14 3.012092071919999e-14 ] [ -4.69437753762e-14 1.69830723204e-14 4.165659248399999e-14 ] [ -5.575574686319999e-14 1.238482538082e-13 -7.866687272939998e-14 ] [ 1.2817413072e-14 -4.37394221082e-14 6.280532405279998e-14 ] [ -8.4915361602e-15 5.126965228799999e-14 5.81590118142e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.479501005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.120960135341706e-18 } }