{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2276259 -1.0255422 -0.0884983 ] [ -1.9683578 -3.0542598 3.0437385 ] [ 0.6431732 3.9270414 -1.7783517 ] [ 1.2882094 -0.7936142 0.3808494 ] [ 0.209158 0.6830345 -0.3791252 ] [ -1.9147114 -0.2254327 1.8591927 ] [ 1.5149026 0.488773 -3.0378053 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.646968952685587e-10 -1.643099736483798e-09 -1.417899072405446e-10 ] [ -3.153656848529322e-09 -4.893463645409283e-09 4.876606664528861e-09 ] [ 1.030477064165122e-09 6.291813919993701e-09 -2.849233517299935e-09 ] [ 2.063938983374795e-09 -1.271510117174895e-09 6.101880047257075e-10 ] [ 3.351080576532865e-10 1.094341907099818e-09 -6.074255317961241e-10 ] [ -3.067705840659237e-09 -3.611830015038202e-10 2.978755077502028e-09 ] [ 2.427141528509134e-09 7.831006734782785e-10 -4.86710063020233e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.426125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.59306131701384e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9802915 1.306273 1.5009215 ] [ 1.7233247 1.5690851 3.5249458 ] [ 2.8825524 3.4819586 2.6630726 ] [ 5.0669498 2.4442023 2.167824 ] [ 4.4770105 3.0708189 4.4050156 ] [ 3.5675703 0.9434315 4.8513789 ] [ 4.6059848 0.1995952 2.8713516 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9802915e-10 1.306273e-10 1.5009215e-10 ] [ 1.7233247e-10 1.5690851e-10 3.5249458e-10 ] [ 2.8825524e-10 3.4819586e-10 2.6630726e-10 ] [ 5.0669498e-10 2.4442023e-10 2.167824e-10 ] [ 4.4770105e-10 3.0708189e-10 4.4050156e-10 ] [ 3.5675703e-10 9.434315e-11 4.851378900000001e-10 ] [ 4.6059848e-10 1.995952e-11 2.8713516e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.9e-06 -2.7e-06 4.5e-06 ] [ 9.8e-06 1.33e-05 -5.3e-06 ] [ 1.4e-06 -1.3e-05 1.06e-05 ] [ -9e-06 8.6e-06 2.5e-06 ] [ 3.5e-06 -9e-06 -1.06e-05 ] [ -8.9e-06 -0.0 -1.65e-05 ] [ 1.02e-05 2.8e-06 1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.105501868352e-14 -4.32587687616e-15 7.2097947936e-15 ] [ 1.570133088384e-14 2.130894905664e-14 -8.491536090240001e-15 ] [ 2.24304726912e-15 -2.08282960704e-14 1.698307218048e-14 ] [ -1.44195895872e-14 1.377871893888e-14 4.005441552e-15 ] [ 5.6076181728e-15 -1.44195895872e-14 -1.698307218048e-14 ] [ -1.425937192512e-14 0.0 -2.64359142432e-14 ] [ 1.634220153216e-14 4.48609453824e-15 2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }