{ "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" [ [ -5.9866725 -17.577896 -1.1793593 ] [ -8.943212 12.9520073 -4.6764382 ] [ -14.3555137 15.9803538 3.1950604 ] [ 8.6464461 -13.9248585 -0.1004605 ] [ -0.335081 -0.1663937 -0.8972122 ] [ 18.2264898 6.8044432 -6.3411909 ] [ 2.7475433 -4.0676561 9.9996007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.591706794910364e-09 -2.816289424608206e-08 -1.889541913550596e-09 ] [ -1.432860529930841e-08 2.075140345945743e-08 -7.492480014385018e-09 ] [ -2.300006861920689e-08 2.56033494614131e-08 5.119051117098693e-09 ] [ 1.385313390856043e-08 -2.231008292045628e-08 -1.60955465739957e-10 ] [ -5.368589486973539e-10 -2.665920981848058e-10 -1.437492422579735e-09 ] [ 2.920205607739933e-08 1.090191990242019e-08 -1.015970789171343e-08 ] [ 4.402049676163251e-09 -6.517103558567566e-09 1.602112659087004e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.36924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.661335404033816e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0842461 1.7987098 2.8454576 ] [ 2.508258 3.7760091 0.969054 ] [ 2.1791127 4.5245037 3.2593832 ] [ 4.1256879 1.9601572 0.996975 ] [ 4.7961677 1.5863904 3.3045533 ] [ 4.796686 4.2086286 2.44766 ] [ 3.5931284 3.1712542 4.7028002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0842461e-10 1.7987098e-10 2.8454576e-10 ] [ 2.508258e-10 3.7760091e-10 9.69054e-11 ] [ 2.1791127e-10 4.524503700000001e-10 3.2593832e-10 ] [ 4.1256879e-10 1.9601572e-10 9.96975e-11 ] [ 4.7961677e-10 1.5863904e-10 3.3045533e-10 ] [ 4.796686e-10 4.2086286e-10 2.44766e-10 ] [ 3.5931284e-10 3.1712542e-10 4.7028002e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.08e-05 -4.4e-05 -6.63e-05 ] [ -1.89e-05 -1e-06 3.6e-05 ] [ -1.24e-05 4.45e-05 -2.66e-05 ] [ -4.46e-05 -2.3e-06 -2.51e-05 ] [ -1.73e-05 3.83e-05 6.7e-05 ] [ 1.9e-05 -1.56e-05 1.01e-05 ] [ 4.35e-05 -1.98e-05 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.93470403272e-14 -7.049577189599999e-14 -1.062243108342e-13 ] [ -3.02811383826e-14 -1.602176634e-15 5.7678358824e-14 ] [ -1.98669902616e-14 7.129686021299999e-14 -4.26178984644e-14 ] [ -7.145707787639999e-14 -3.685006258199999e-15 -4.02146335134e-14 ] [ -2.77176557682e-14 6.13633650822e-14 1.07345834478e-13 ] [ 3.0441356046e-14 -2.49939554904e-14 1.61819840034e-14 ] [ 6.969468357899999e-14 -3.17230973532e-14 7.850665506599998e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.270251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.407869915151513e-18 } }