{ "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" [ [ 2.941384 3.398999 4.495714 ] [ 5.079285 2.89491 3.814281 ] [ 5.144035 3.811985 1.647129 ] [ 3.115427 4.213177 2.153983 ] [ 4.243195 5.045313 3.693161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.941384e-10 3.398999e-10 4.495714000000001e-10 ] [ 5.079285e-10 2.89491e-10 3.814281e-10 ] [ 5.144035e-10 3.811985e-10 1.647129e-10 ] [ 3.115427e-10 4.213177e-10 2.153983e-10 ] [ 4.243195e-10 5.045313e-10 3.693161e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1277997 -2.7264008 3.134001 ] [ 9.6556365 -8.305899 6.0966093 ] [ 6.1499314 -0.8053375 -3.8923842 ] [ -16.2321549 2.0202405 -10.5911475 ] [ 5.5543868 9.8173969 5.2529214 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.215640795485253e-09 -4.368175620690416e-09 5.021223131763821e-09 ] [ 1.547003505924314e-08 -1.33075171925261e-08 9.767844886611854e-09 ] [ 9.853276308603813e-09 -1.29029291435352e-09 -6.236286964411311e-09 ] [ -2.600677908598417e-08 3.236782097493302e-09 -1.696888891194437e-08 ] [ 8.899108673840126e-09 1.57292037902944e-08 8.416107857980004e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6582005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.065436556898873e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8494174 3.2753879 4.3618919 ] [ 5.3138462 2.7765937 4.0041532 ] [ 5.1773751 3.7744337 1.6726556 ] [ 2.7129448 4.2732187 2.0303894 ] [ 4.4697424 5.26475 3.735178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8494174e-10 3.2753879e-10 4.3618919e-10 ] [ 5.313846200000001e-10 2.7765937e-10 4.0041532e-10 ] [ 5.1773751e-10 3.7744337e-10 1.6726556e-10 ] [ 2.7129448e-10 4.2732187e-10 2.0303894e-10 ] [ 4.4697424e-10 5.264750000000001e-10 3.735178e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 6.1e-06 -1.48e-05 ] [ 4.6e-06 3.4e-06 -4.7e-06 ] [ 4.6e-06 -5.3e-06 9.6e-06 ] [ -1.08e-05 -1.1e-06 9.3e-06 ] [ 1.1e-06 -3e-06 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 9.77327738688e-15 -2.371221398784e-14 ] [ 7.370012455680001e-15 5.44740051072e-15 -7.53023011776e-15 ] [ 7.370012455680001e-15 -8.491536090240001e-15 1.538089555968e-14 ] [ -1.730350750464e-14 -1.76239428288e-15 1.490024257344e-14 ] [ 1.76239428288e-15 -4.8065298624e-15 9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }