{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1233238 -0.3306849 -0.3507328 ] [ 2.1186949 0.3016559 1.8223307 ] [ 0.7465196 -0.1727672 0.5175043 ] [ 1.8387791 0.7186794 -0.3652215 ] [ -1.3902596 -1.0678411 -0.2303805 ] [ -1.5319829 -0.5558601 -1.136823 ] [ 0.3415728 1.1068181 -0.2566772 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.401939750748215e-09 -5.298156156315859e-10 -5.619358923077224e-10 ] [ 3.394523435388194e-09 4.833060305063827e-10 2.919695642906099e-09 ] [ 1.196056250088968e-09 -2.768035686810778e-10 8.291332906234695e-10 ] [ 2.946048884835665e-09 1.151451332530571e-09 -5.851493487135072e-10 ] [ -2.227441427962759e-09 -1.710870045149355e-09 -3.691102509882144e-10 ] [ -2.454507185845384e-09 -8.9058605665555e-10 -1.821391232587718e-09 ] [ 5.472599544611942e-10 1.773318083298276e-09 -4.112422089324057e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.01264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.046160730768692e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1071945 0.5296371 1.5611394 ] [ 2.0513918 1.0236059 2.3162602 ] [ 2.4243339 3.2599497 2.9654909 ] [ 2.374712 0.3133635 4.6117039 ] [ 4.249821 0.3740841 3.1223009 ] [ 2.7725419 2.5437144 5.2337117 ] [ 4.6283979 2.6232114 3.708623 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.071945e-11 5.296371e-11 1.5611394e-10 ] [ 2.0513918e-10 1.0236059e-10 2.3162602e-10 ] [ 2.4243339e-10 3.2599497e-10 2.9654909e-10 ] [ 2.374712e-10 3.133635e-11 4.611703900000001e-10 ] [ 4.249821e-10 3.740841e-11 3.1223009e-10 ] [ 2.7725419e-10 2.5437144e-10 5.2337117e-10 ] [ 4.628397900000001e-10 2.6232114e-10 3.708623e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.93e-05 -2.58e-05 1.4e-05 ] [ -6.62e-05 2.3e-06 -1.87e-05 ] [ 3.35e-05 -1.16e-05 -1.18e-05 ] [ -3.56e-05 -2.7e-05 1.68e-05 ] [ -7e-06 3.43e-05 -3.71e-05 ] [ 1.04e-05 1.42e-05 -4.5e-06 ] [ 3.57e-05 1.36e-05 4.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.694377498944e-14 -4.133615681664e-14 2.24304726912e-14 ] [ -1.0606409229696e-13 3.68500622784e-15 -2.996070280896e-14 ] [ 5.36729167968e-14 -1.858524880128e-14 -1.890568412544e-14 ] [ -5.703748770048e-14 -4.32587687616e-14 2.691656722944e-14 ] [ -1.12152363456e-14 5.495465809344e-14 -5.944075263168e-14 ] [ 1.666263685632e-14 2.275090801536e-14 -7.2097947936e-15 ] [ 5.719770536256001e-14 2.178960204288e-14 6.600967677696001e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.868727 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.343538650525772e-18 } }