{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6153991 -3.206483 -2.3763182 ] [ -17.6282657 3.2124275 -3.3911497 ] [ 1.5540084 -1.1860038 -0.4549264 ] [ 8.991517 7.576584 -6.8887511 ] [ 6.4673412 -6.3965246 13.1111454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.859780504813614e-10 -5.137352097592646e-09 -3.807281463621539e-09 ] [ -2.824359516979055e-08 5.146876236514992e-09 -5.433220766972935e-09 ] [ 2.489795927006815e-09 -1.900187560539959e-09 -7.288724422647092e-10 ] [ 1.440599832292575e-08 1.213902575032735e-08 -1.103699595893028e-08 ] [ 1.036182286937662e-08 -1.024836216849207e-08 2.100637063178946e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9808595 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.118456988398958e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0928969 1.9103405 1.4299429 ] [ 2.4180147 3.6593886 3.0244539 ] [ 5.3174769 1.7876584 2.475543 ] [ 5.42898 5.1850916 2.6025758 ] [ 4.5817615 3.4206159 4.1445194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0928969e-10 1.9103405e-10 1.4299429e-10 ] [ 2.4180147e-10 3.6593886e-10 3.0244539e-10 ] [ 5.3174769e-10 1.7876584e-10 2.475543e-10 ] [ 5.42898e-10 5.1850916e-10 2.6025758e-10 ] [ 4.5817615e-10 3.4206159e-10 4.1445194e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 1.54e-05 8.6e-06 ] [ 2.89e-05 8.3e-06 -7.6e-06 ] [ 1.35e-05 -2.56e-05 -3e-06 ] [ -2.66e-05 5.3e-06 -3.7e-06 ] [ -1.13e-05 -3.4e-06 5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.04957713152e-15 2.467351996032e-14 1.377871893888e-14 ] [ 4.630290434112001e-14 1.329806595264e-14 -1.217654231808e-14 ] [ 2.16293843808e-14 -4.101572149248001e-14 -4.8065298624e-15 ] [ -4.261789811328e-14 8.491536090240001e-15 -5.928053496960001e-15 ] [ -1.810459581504e-14 -5.44740051072e-15 9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927010881090069e-18 } }