{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0174437 -1.4103324 -1.0294774 ] [ -0.5191342 -1.7462947 1.6570195 ] [ -2.9637013 0.6694845 3.7707227 ] [ -3.6834583 2.3271675 -1.4477234 ] [ 1.6207805 -2.4461654 -5.1193499 ] [ 5.1058001 -4.6723578 4.5285106 ] [ 0.4571569 7.2784982 -2.359702 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.794788832024896e-11 -2.259601598836754e-09 -1.64940462192197e-09 ] [ -8.317446782977113e-10 -2.79787254136695e-09 2.654837903109706e-09 ] [ -4.748372933894567e-09 1.072632413887978e-09 6.041363753459852e-09 ] [ -5.901550771951713e-09 3.728533361185584e-09 -2.319508584865087e-09 ] [ 2.596776624548535e-09 -3.91918901448988e-09 -8.202102723474818e-09 ] [ 8.180393550698303e-09 -7.485942431172523e-09 7.255473810364981e-09 ] [ 7.324460972174035e-10 1.166143965057488e-08 -3.780659376455001e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3331144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.014676782853182e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9316461 1.7616157 2.4927075 ] [ 1.5891134 0.9986145 4.7338511 ] [ 2.1592641 3.1981858 5.4820035 ] [ 1.3673048 4.0725802 3.3569167 ] [ 4.2234736 2.5680386 2.5631362 ] [ 4.4256929 2.8558965 4.9013525 ] [ 3.3947381 4.7984458 2.3153535 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9316461e-10 1.7616157e-10 2.4927075e-10 ] [ 1.5891134e-10 9.986145e-11 4.7338511e-10 ] [ 2.1592641e-10 3.1981858e-10 5.4820035e-10 ] [ 1.3673048e-10 4.0725802e-10 3.356916700000001e-10 ] [ 4.2234736e-10 2.5680386e-10 2.5631362e-10 ] [ 4.4256929e-10 2.8558965e-10 4.9013525e-10 ] [ 3.3947381e-10 4.7984458e-10 2.3153535e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 -2.1e-06 -1.48e-05 ] [ -1.48e-05 -7.9e-06 -1.3e-06 ] [ 1.11e-05 -1.2e-06 3.2e-06 ] [ -6.7e-06 4.9e-06 1.15e-05 ] [ 1.19e-05 -3.8e-06 1.09e-05 ] [ 9e-06 3.3e-06 1.17e-05 ] [ -7.3e-06 6.8e-06 -2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.126965186560001e-15 -3.36457090368e-15 -2.371221398784e-14 ] [ -2.371221398784e-14 -1.265719530432e-14 -2.08282960704e-15 ] [ 1.778416049088e-14 -1.92261194496e-15 5.126965186560001e-15 ] [ -1.073458335936e-14 7.850665441919999e-15 1.84250311392e-14 ] [ 1.906590178752e-14 -6.08827115904e-15 1.746372516672e-14 ] [ 1.44195895872e-14 5.28718284864e-15 1.874546646336e-14 ] [ -1.169588933184e-14 1.089480102144e-14 -3.396614436096001e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }