{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.1810009e-10 1.0714545e-10 9.66503e-11 ] [ 2.2553026e-10 2.7481873e-10 -2.84421e-11 ] [ 1.651271e-10 1.3747048e-10 3.2506338e-10 ] ] "source-value" [ [ 1.1810009 1.0714545 0.966503 ] [ 2.2553026 2.7481873 -0.284421 ] [ 1.651271 1.3747048 3.2506338 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.229746278912e-14 -5.415356978304e-14 -2.899939683648e-14 ] [ 6.568924145279999e-15 -5.928053496960001e-15 9.901451516544e-14 ] [ 3.572853864384e-14 6.008162327999999e-14 -7.001511832895999e-14 ] ] "source-value" [ [ -2.64e-05 -3.38e-05 -1.81e-05 ] [ 4.1e-06 -3.7e-06 6.18e-05 ] [ 2.23e-05 3.75e-05 -4.37e-05 ] ] } "species" { "source-value" [ "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.94767869843712e-19 "source-value" -4.3364 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -5.733111540542078e-09 -7.259709965350376e-09 -4.423777077485674e-09 ] [ 4.129388018214695e-09 6.753461887157772e-09 -6.836141090150522e-09 ] [ 1.60372336210972e-09 5.062480781926042e-10 1.125991832785386e-08 ] ] "source-value" [ [ -3.5783268 -4.5311546 -2.7611045 ] [ 2.5773613 4.2151794 -4.2667837 ] [ 1.0009654 0.3159752 7.0278883 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.709266406400875e-19 "source-value" -1.6909911 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 9.494976000000001e-11 7.633406e-11 8.86263e-11 ] [ 2.303045e-10 2.715974e-10 3.616398e-11 ] [ 1.835032e-10 1.715032e-10 2.684813e-10 ] ] "source-value" [ [ 0.9494976 0.7633406 0.886263 ] [ 2.303045 2.715974 0.3616398 ] [ 1.835032 1.715032 2.684813 ] ] } "instance-id" 1 }