{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4603932 -5.8444306 -0.7961722 ] [ -1.0224485 4.5944658 -1.5603745 ] [ -2.3718959 -0.1098502 2.4409577 ] [ -0.5285548 -1.7653833 -3.2089669 ] [ 1.4048969 -1.9375211 4.7065152 ] [ 1.0576091 5.0627194 -1.5819593 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.339807842215298e-09 -9.363810069208117e-09 -1.275608484970902e-09 ] [ -1.638143082672029e-09 7.361145689825169e-09 -2.49999554359249e-09 ] [ -3.800196157951375e-09 -1.759994222302042e-10 3.91084535930174e-09 ] [ -8.468381433716198e-10 -2.828455850010753e-09 -5.141331744101052e-09 ] [ 2.250892967814396e-09 -3.104251008726699e-09 7.540668618879836e-09 ] [ 1.694476573965329e-09 8.111370660350604e-09 -2.534578205517134e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4493078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.353728341910308e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4508138 0.2774246 0.1585163 ] [ 0.3394507 2.7040068 0.4266749 ] [ 0.0597828 1.245982 2.3679505 ] [ 2.7020568 0.3397242 0.529616 ] [ 2.3110255 1.3082759 2.7390534 ] [ 2.5906931 2.7663041 0.7977776 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.508138e-11 2.774246e-11 1.585163e-11 ] [ 3.394507e-11 2.7040068e-10 4.266749e-11 ] [ 5.97828e-12 1.245982e-10 2.3679505e-10 ] [ 2.7020568e-10 3.397242e-11 5.29616e-11 ] [ 2.3110255e-10 1.3082759e-10 2.7390534e-10 ] [ 2.5906931e-10 2.7663041e-10 7.977776e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.7e-06 1e-07 -3e-06 ] [ -2e-07 1.1e-06 -2.8e-06 ] [ 3.9e-06 -3.3e-06 1.5e-06 ] [ -3.5e-06 3e-07 4.3e-06 ] [ 9e-07 2e-06 -2.1e-06 ] [ 5e-07 0.0 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.72370025536e-15 1.6021766208e-16 -4.8065298624e-15 ] [ -3.2043532416e-16 1.76239428288e-15 -4.48609453824e-15 ] [ 6.24848882112e-15 -5.28718284864e-15 2.4032649312e-15 ] [ -5.6076181728e-15 4.8065298624e-16 6.889359469440001e-15 ] [ 1.44195895872e-15 3.2043532416e-15 -3.36457090368e-15 ] [ 8.010883104e-16 0.0 3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }