{ "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" [ [ -4.8904699 -6.3070972 -0.4128028 ] [ 0.7066147 -15.3979655 14.9583114 ] [ -26.4663906 10.599547 15.7651402 ] [ -1.3814184 18.7381622 -14.4471055 ] [ 3.9120399 -10.3224694 -32.9854706 ] [ 33.5570712 -33.9608216 21.8386351 ] [ -5.4374469 36.6506444 -4.7167079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.835396538506114e-09 -1.010508367895314e-08 -6.613829951607783e-10 ] [ 1.132121552253606e-09 -2.467026033198498e-08 2.396585681172612e-08 ] [ -4.240383225628088e-08 1.698234639447078e-08 2.525853905207424e-08 ] [ -2.213276264022943e-09 3.002184539359829e-08 -2.314681467033109e-08 ] [ 6.26777886741677e-09 -1.65384191416034e-08 -5.284854982140574e-08 ] [ 5.376435493916101e-08 -5.441123439067966e-08 3.498935058740228e-08 ] [ -8.711750300021438e-09 5.872080559493444e-08 -7.556999124522665e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0314212 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.126557865763748e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9863018 1.4195887 2.2578244 ] [ 1.140007 1.422328 4.724558 ] [ 2.4361714 3.5445056 5.4953362 ] [ 0.9636684 3.6717426 3.1731278 ] [ 4.3212432 2.4338557 2.2685792 ] [ 4.8777671 3.0460247 4.741742 ] [ 3.366074 4.7153317 3.1841535 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9863018e-10 1.4195887e-10 2.2578244e-10 ] [ 1.140007e-10 1.422328e-10 4.724558e-10 ] [ 2.4361714e-10 3.5445056e-10 5.4953362e-10 ] [ 9.636684e-11 3.6717426e-10 3.1731278e-10 ] [ 4.3212432e-10 2.4338557e-10 2.2685792e-10 ] [ 4.8777671e-10 3.0460247e-10 4.741742e-10 ] [ 3.366074e-10 4.7153317e-10 3.1841535e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 -4e-07 1.07e-05 ] [ -1.57e-05 5.3e-06 1.3e-06 ] [ -2.3e-06 -1.1e-05 -2.3e-06 ] [ 2.7e-06 -3.8e-06 1e-06 ] [ 3.1e-06 1.2e-06 -6.9e-06 ] [ 7.1e-06 -2e-07 -2.3e-06 ] [ -2.1e-06 9e-06 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 -6.408706483200001e-16 1.714328984256e-14 ] [ -2.515417294656e-14 8.491536090240001e-15 2.08282960704e-15 ] [ -3.68500622784e-15 -1.76239428288e-14 -3.68500622784e-15 ] [ 4.32587687616e-15 -6.08827115904e-15 1.6021766208e-15 ] [ 4.96674752448e-15 1.92261194496e-15 -1.105501868352e-14 ] [ 1.137545400768e-14 -3.2043532416e-16 -3.68500622784e-15 ] [ -3.36457090368e-15 1.44195895872e-14 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.606916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942462552518945e-18 } }