{ "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" [ [ -9.2026837 -15.0281018 -6.6114687 ] [ -9.4935497 5.0789492 -12.8313378 ] [ -10.5700765 -1.3310115 11.6315215 ] [ 7.2975716 -1.4921823 -2.1551502 ] [ 5.9473649 -3.548841 6.9173277 ] [ 5.4178086 1.8128695 -4.2125107 ] [ 10.6035648 14.5083179 7.2616181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.474432467275724e-08 -2.40776733589624e-08 -1.059274058029097e-08 ] [ -1.521034337774285e-08 8.137373666470865e-09 -2.055806943674731e-08 ] [ -1.693512944836749e-08 -2.132515507315939e-09 1.863575181163255e-08 ] [ 1.169199860613405e-08 -2.390739595031572e-09 -3.452931264752444e-09 ] [ 9.528728998146532e-09 -5.685870081136493e-09 1.108278071935224e-08 ] [ 8.68028627488918e-09 2.904537129461385e-09 -6.749186158409843e-09 ] [ 1.698878361969783e-08 2.324488774651415e-08 1.163439474899812e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6789194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.070080851488756e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9473959 1.3009153 2.4986763 ] [ 1.6083747 3.8721047 2.2340968 ] [ 1.4586897 2.7946769 4.5785696 ] [ 4.2487381 1.8631026 2.9040158 ] [ 3.7910595 2.7692069 5.129578 ] [ 3.9842264 4.1595719 2.104087 ] [ 4.4972887 4.9116079 4.3208265 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9473959e-10 1.3009153e-10 2.4986763e-10 ] [ 1.6083747e-10 3.8721047e-10 2.2340968e-10 ] [ 1.4586897e-10 2.7946769e-10 4.5785696e-10 ] [ 4.2487381e-10 1.8631026e-10 2.9040158e-10 ] [ 3.7910595e-10 2.7692069e-10 5.129578000000001e-10 ] [ 3.9842264e-10 4.159571900000001e-10 2.104087e-10 ] [ 4.4972887e-10 4.9116079e-10 4.3208265e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.58e-05 6e-07 4.49e-05 ] [ -6.4e-06 -3e-07 5.4e-06 ] [ -7.3e-06 1.68e-05 -3.9e-05 ] [ 3.8e-06 -9e-07 -2.38e-05 ] [ -1.73e-05 -2.88e-05 -4.2e-06 ] [ -2.04e-05 -1.9e-06 1.38e-05 ] [ 2.19e-05 1.46e-05 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.133615681664e-14 9.6130597248e-16 7.193773027392e-14 ] [ -1.025393037312e-14 -4.8065298624e-16 8.65175375232e-15 ] [ -1.169588933184e-14 2.691656722944e-14 -6.248488821120001e-14 ] [ 6.08827115904e-15 -1.44195895872e-15 -3.813180357504e-14 ] [ -2.771765553984e-14 -4.614268667904e-14 -6.72914180736e-15 ] [ -3.268440306432e-14 -3.04413557952e-15 2.211003736704e-14 ] [ 3.508766799552e-14 2.339177866368e-14 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }