{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8489622 -2.5080991 3.3501702 ] [ -1.100957 2.3144543 -0.5702517 ] [ -4.5910424 1.5991457 -3.2491246 ] [ 0.039505 3.4517817 1.5003726 ] [ 4.3856504 -3.1856408 -1.9266329 ] [ 0.9401139 -0.6887976 0.4081121 ] [ 1.1756923 -0.982844 0.4873543 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.360187388782934e-09 -4.018417740669521e-09 5.36756437014086e-09 ] [ -1.763927565906106e-09 3.70816456937003e-09 -9.136439417114554e-10 ] [ -7.355660798381522e-09 2.562113853792851e-09 -5.205671472186152e-09 ] [ 6.3293987404704e-11 5.53036393984528e-09 2.40386190220891e-09 ] [ 7.026586537882169e-09 -5.103959212026609e-09 -3.086806189244105e-09 ] [ 1.506228511469109e-09 -1.10357541118315e-09 6.538676652855917e-10 ] [ 1.88366671631458e-09 -1.574689678693555e-09 7.808276655063495e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.880305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864740664377335e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3189014 3.067269 3.6886215 ] [ 2.8289799 5.7486304 1.1434479 ] [ 1.269601 3.8435839 1.3634575 ] [ 2.2153176 5.3253366 3.4115252 ] [ 3.372191 2.788953 1.1149311 ] [ 4.8762897 4.6349846 1.3860978 ] [ 3.7531185 3.4217755 3.374472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3189014e-10 3.067269e-10 3.6886215e-10 ] [ 2.8289799e-10 5.7486304e-10 1.1434479e-10 ] [ 1.269601e-10 3.8435839e-10 1.3634575e-10 ] [ 2.2153176e-10 5.3253366e-10 3.4115252e-10 ] [ 3.372191e-10 2.788953e-10 1.1149311e-10 ] [ 4.876289700000001e-10 4.6349846e-10 1.3860978e-10 ] [ 3.7531185e-10 3.4217755e-10 3.374472e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3971747 0.544899 -0.6444352 ] [ -0.6270299 0.2077779 0.2530933 ] [ 0.4297568 0.0948116 0.3231178 ] [ 0.1693468 -0.1711522 -0.0783164 ] [ 0.3680545 -0.2390478 -0.0253035 ] [ -0.396122 -0.3650709 -0.0362222 ] [ -0.3411809 -0.0722175 0.2080662 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.363440187132537e-10 8.730244384972992e-10 -1.032499011060572e-09 ] [ -1.004612646322562e-09 3.328968936989204e-10 4.055001681411207e-10 ] [ 6.885462975898215e-10 1.519049289006413e-10 5.176917849243302e-10 ] [ 2.713234837672934e-10 -2.742160534384858e-10 -1.254767051052211e-10 ] [ 5.896883150802335e-10 -3.829967964136742e-10 -4.05406761244128e-11 ] [ -6.346574073845376e-10 -5.849080609144147e-10 -5.803436199394176e-11 ] [ -5.466320614435027e-10 -1.15705190112624e-10 3.33358801218697e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.385571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.426346187865848e-18 } }