{ "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" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0838426 0.4510784 1.8900824 ] [ 0.2349396 0.1919332 -1.8609108 ] [ -10.0599695 3.9262295 -0.0854938 ] [ 0.8006744 0.3568752 -3.2544186 ] [ 8.9405129 -4.9261164 3.3107408 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.343306535470861e-10 7.227072666278708e-10 3.028245832665554e-09 ] [ 3.764147344201037e-10 3.075108857953306e-10 -2.981507777154225e-09 ] [ -1.611784793886107e-08 6.290513112795273e-09 -1.369761675833511e-10 ] [ 1.282821804553067e-09 5.717771019833242e-10 -5.214153395216667e-09 ] [ 1.432428074634081e-08 -7.892508527419461e-09 5.304391507288689e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.2180642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.758083846273455e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.228045 0.6100403 0.3265912 ] [ 0.8680019 0.7037215 2.6496558 ] [ 0.4156311 2.9491287 2.112493 ] [ 2.2764553 2.6832414 0.6976872 ] [ 3.0730089 1.5212741 2.5819307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.228045e-10 6.100403e-11 3.265912e-11 ] [ 8.680019e-11 7.037215e-11 2.6496558e-10 ] [ 4.156311e-11 2.9491287e-10 2.112493e-10 ] [ 2.2764553e-10 2.6832414e-10 6.976871999999999e-11 ] [ 3.0730089e-10 1.5212741e-10 2.5819307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -3.8e-06 -7.6e-06 ] [ -3.2e-06 -1.7e-06 1.7e-06 ] [ -4.6e-06 6.1e-06 1.4e-06 ] [ -5e-07 -2.3e-06 2e-06 ] [ 9.3e-06 1.7e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 -6.08827115904e-15 -1.217654231808e-14 ] [ -5.126965186560001e-15 -2.72370025536e-15 2.72370025536e-15 ] [ -7.370012455680001e-15 9.77327738688e-15 2.24304726912e-15 ] [ -8.010883104e-16 -3.68500622784e-15 3.2043532416e-15 ] [ 1.490024257344e-14 2.72370025536e-15 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }