{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.0934188 1.6222407 2.3788882 ] [ 8.95109 3.2699037 -1.7098525 ] [ 0.8417153 -8.5327033 -1.8882406 ] [ -2.1432953 7.5111186 2.6801517 ] [ -8.2351585 -3.0988881 6.7529317 ] [ -6.0836798 6.3870554 -3.9276398 ] [ 0.5759096 -7.158727 -4.2862386 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.762733142103191e-09 2.599116122850227e-09 3.811399057536994e-09 ] [ 1.434122712867667e-08 5.238963260407417e-09 -2.739485700516432e-09 ] [ 1.348576575029658e-09 -1.367089773948301e-08 -3.025294943765365e-09 ] [ -3.433937621130523e-09 1.203413861697603e-08 4.294076393937376e-09 ] [ -1.31941784172824e-08 -4.964966064295333e-09 1.08193892915992e-08 ] [ -9.74712954399322e-09 1.023319083763439e-08 -6.292772662483588e-09 ] [ 9.227088968142797e-10 -1.146954503408972e-08 -6.867311276090523e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -38.052473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.096678260422324e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0751085 2.0627929 1.3602996 ] [ 2.3475787 1.8375207 3.5374124 ] [ 2.3234591 3.8566021 2.6499827 ] [ 3.3785697 0.451848 2.1656356 ] [ 4.0484458 2.5527123 2.2151222 ] [ 4.4325098 1.2500442 3.9530389 ] [ 3.7804134 3.3542961 4.2523807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0751085e-10 2.0627929e-10 1.3602996e-10 ] [ 2.3475787e-10 1.8375207e-10 3.5374124e-10 ] [ 2.3234591e-10 3.8566021e-10 2.6499827e-10 ] [ 3.3785697e-10 4.51848e-11 2.1656356e-10 ] [ 4.0484458e-10 2.5527123e-10 2.2151222e-10 ] [ 4.4325098e-10 1.2500442e-10 3.9530389e-10 ] [ 3.7804134e-10 3.3542961e-10 4.2523807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.37e-05 -7.56e-05 3.04e-05 ] [ -7.6e-06 -5.8e-05 3.57e-05 ] [ 8.6e-06 1.63e-05 -6.33e-05 ] [ 2.17e-05 0.0001398 -1.36e-05 ] [ -1.17e-05 -4.6e-05 -7.67e-05 ] [ -7.54e-05 -2.51e-05 -3.22e-05 ] [ 5.08e-05 4.86e-05 0.0001197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.194981970496e-14 -1.2112455253248e-13 4.870616927232e-14 ] [ -1.217654231808e-14 -9.29262440064e-14 5.719770536256001e-14 ] [ 1.377871893888e-14 2.611547891904e-14 -1.0141778009664e-13 ] [ 3.476723267136e-14 2.2398429158784e-13 -2.178960204288e-14 ] [ -1.874546646336e-14 -7.37001245568e-14 -1.2288694681536e-13 ] [ -1.2080411720832e-13 -4.021463318208e-14 -5.159008718975999e-14 ] [ 8.139057233664001e-14 7.786578377088e-14 1.9178054150976e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }