{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1910022 -4.853874 -2.3621641 ] [ -5.7790582 2.7426307 -6.8697578 ] [ -5.5492955 -1.1292006 6.3030219 ] [ 3.6333843 -0.5501225 -0.4823016 ] [ 2.624032 -0.8493804 1.9111999 ] [ 2.8349299 0.0609729 -2.1548697 ] [ 5.4270097 4.578974 3.6548715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.112549121761365e-09 -7.776763443108979e-09 -3.784604095513074e-09 ] [ -9.25907193828253e-09 4.394178787028338e-09 -1.100656533771844e-08 ] [ -8.890951512010647e-09 -1.809178801513333e-09 1.00985543285704e-08 ] [ 5.821323379841773e-09 -8.81393408076048e-10 -7.727323476944333e-10 ] [ 4.204162722631066e-09 -1.360857419045752e-09 3.062079797455298e-09 ] [ 4.542058407386882e-09 9.768935488237631e-11 -3.452481854210309e-09 ] [ 8.695028062194824e-09 7.336325090051058e-09 5.855749669328227e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.349104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.260285868302777e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.120004 1.5711338 3.0664874 ] [ 1.8241261 3.9580779 2.3777725 ] [ 1.4647486 3.2963657 4.7830464 ] [ 4.5764889 1.7695461 2.5621227 ] [ 3.7783956 2.3021376 4.8875178 ] [ 4.2894966 4.0848423 1.8940906 ] [ 3.4825131 4.6890826 4.1988126 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.120004e-10 1.5711338e-10 3.0664874e-10 ] [ 1.8241261e-10 3.9580779e-10 2.3777725e-10 ] [ 1.4647486e-10 3.2963657e-10 4.7830464e-10 ] [ 4.5764889e-10 1.7695461e-10 2.5621227e-10 ] [ 3.7783956e-10 2.3021376e-10 4.887517800000001e-10 ] [ 4.2894966e-10 4.0848423e-10 1.8940906e-10 ] [ 3.4825131e-10 4.6890826e-10 4.1988126e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.26e-05 6.5e-06 -1.51e-05 ] [ 5.1e-06 2.85e-05 7.4e-06 ] [ 2.5e-06 -7e-07 1.34e-05 ] [ -2.4e-06 -2.93e-05 1.54e-05 ] [ 5.4e-06 -4.7e-06 -2.63e-05 ] [ -2.19e-05 -1.68e-05 2.84e-05 ] [ -2.14e-05 1.65e-05 -2.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.223095783807999e-14 1.04141480352e-14 -2.419286697408e-14 ] [ 8.17110076608e-15 4.56620336928e-14 1.185610699392e-14 ] [ 4.005441552e-15 -1.12152363456e-15 2.146916671872e-14 ] [ -3.84522388992e-15 -4.694377498944e-14 2.467351996032e-14 ] [ 8.65175375232e-15 -7.53023011776e-15 -4.213724512704e-14 ] [ -3.508766799552e-14 -2.691656722944e-14 4.550181603071999e-14 ] [ -3.428657968511999e-14 2.64359142432e-14 -3.717049760256e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.011241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.007242558739441e-18 } }