{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0825193 -0.9952962 -20.2176405 ] [ -15.452932 10.1084844 9.9354236 ] [ 3.4214901 -10.051273 -8.7023562 ] [ 7.2110259 -8.4976947 8.7660614 ] [ 8.9029354 9.4357796 10.2185116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.540916976424782e-09 -1.594640302411081e-09 -3.239223093683923e-08 ] [ -2.475832637321219e-08 1.619557737740152e-08 1.591830340966457e-08 ] [ 5.481831446518654e-09 -1.610391460987828e-08 -1.394271164951393e-08 ] [ 1.155333710896328e-08 -1.361480777903607e-08 1.404477863157732e-08 ] [ 1.42640749543727e-08 1.511778547414158e-08 1.63718603848936e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 83.805494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.342712031813947e-17 } "relaxed-configuration-positions" { "source-value" [ [ -1.0190031 4.7033253 -5.0031189 ] [ -4.6061549 3.8072502 4.2882434 ] [ 3.5082742 -3.9971881 -3.0525232 ] [ 3.903027 -2.5562824 6.8352448 ] [ 4.914432 6.8895485 3.7118395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.0190031e-10 4.703325300000001e-10 -5.003118899999999e-10 ] [ -4.6061549e-10 3.8072502e-10 4.2882434e-10 ] [ 3.5082742e-10 -3.9971881e-10 -3.0525232e-10 ] [ 3.903027e-10 -2.5562824e-10 6.8352448e-10 ] [ 4.914432e-10 6.889548500000001e-10 3.7118395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }