{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.6126077 -61.6931173 7.627643 ] [ -58.2343274 75.6662397 11.9566358 ] [ -65.0050754 45.6632033 -41.3073715 ] [ 32.9685057 -68.5484419 6.8185802 ] [ -15.6531859 12.5511723 -26.0376306 ] [ 100.2874464 13.4273254 -22.4174679 ] [ -0.975971 -17.0663815 63.359611 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.059456545946206e-08 -9.884327020233201e-08 1.222083128640878e-08 ] [ -9.330167788829285e-08 1.212306802311888e-07 1.915664234218031e-08 ] [ -1.041496120392212e-07 7.316051675809742e-08 -6.618170488400023e-08 ] [ 5.282136905525154e-08 -1.098267110044471e-07 1.092456978348979e-08 ] [ -2.507916849001621e-08 2.010919482269256e-08 -4.171688300834668e-08 ] [ 1.606782019818131e-07 2.151294683575401e-08 -3.591674296691447e-08 ] [ -1.563677918778797e-09 -2.734335744095363e-08 1.015132874471825e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 34.411529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.513334724978121e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0277807 1.5419959 3.1011189 ] [ 2.6967794 4.3487179 0.4694442 ] [ 1.8156003 4.3911653 3.1515337 ] [ 3.7867569 1.7737578 0.8611203 ] [ 5.1257879 1.3983968 3.4033614 ] [ 4.9330727 4.2766894 2.4763387 ] [ 3.6975091 3.2949298 5.062966 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0277807e-10 1.5419959e-10 3.1011189e-10 ] [ 2.6967794e-10 4.3487179e-10 4.694442e-11 ] [ 1.8156003e-10 4.3911653e-10 3.1515337e-10 ] [ 3.7867569e-10 1.7737578e-10 8.611203e-11 ] [ 5.1257879e-10 1.3983968e-10 3.4033614e-10 ] [ 4.933072700000001e-10 4.276689400000001e-10 2.4763387e-10 ] [ 3.6975091e-10 3.2949298e-10 5.062966000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.09e-05 -1.37e-05 2.45e-05 ] [ -1.16e-05 1e-05 -2.22e-05 ] [ 1.2e-06 -1.13e-05 6.8e-06 ] [ 1.35e-05 1.34e-05 9.5e-06 ] [ -9.1e-06 -2.2e-05 -1.8e-06 ] [ 3.43e-05 2.79e-05 -1.99e-05 ] [ -1.74e-05 -4.3e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.746372516672e-14 -2.194981970496e-14 3.92533272096e-14 ] [ -1.858524880128e-14 1.6021766208e-14 -3.556832098176e-14 ] [ 1.92261194496e-15 -1.810459581504e-14 1.089480102144e-14 ] [ 2.16293843808e-14 2.146916671872e-14 1.52206778976e-14 ] [ -1.457980724928e-14 -3.52478856576e-14 -2.88391791744e-15 ] [ 5.495465809344e-14 4.470072772032e-14 -3.188331475392e-14 ] [ -2.787787320192e-14 -6.889359469440001e-15 4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.780386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.008949537879963e-18 } }