{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.2223448 -12.0140542 -4.5302092 ] [ -3.8940165 3.6888898 6.718 ] [ 0.1142734 -0.0367635 -0.3945891 ] [ 4.7727837 -1.9162736 8.4430728 ] [ 10.2293042 10.2782015 -10.2362744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.79801786172514e-08 -1.924863691884956e-08 -7.258195327371832e-09 ] [ -6.238902248710461e-09 5.910253042960933e-09 1.0763422627212e-08 ] [ 1.830861713677356e-10 -5.8901620684059e-11 -6.322014360510893e-10 ] [ 7.646842523276065e-09 -3.070208786271062e-09 1.352729395932095e-08 ] [ 1.638915217131806e-08 1.646749428284375e-08 -1.640031966289237e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.163467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.948802261583008e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3207066 1.6479712 1.957653 ] [ 1.8636409 3.9808936 2.8208586 ] [ 3.5417102 1.8997254 -0.1053735 ] [ 3.8046185 2.5522515 3.7952673 ] [ 3.9994377 3.6258863 1.5136187 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3207066e-10 1.6479712e-10 1.957653e-10 ] [ 1.8636409e-10 3.9808936e-10 2.8208586e-10 ] [ 3.5417102e-10 1.8997254e-10 -1.053735e-11 ] [ 3.8046185e-10 2.5522515e-10 3.7952673e-10 ] [ 3.9994377e-10 3.6258863e-10 1.5136187e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-05 3.7e-06 -6.99e-05 ] [ 1.49e-05 -3.24e-05 6.95e-05 ] [ -2.97e-05 -5e-07 4.77e-05 ] [ -5.65e-05 6.88e-05 -3.4e-05 ] [ 3.73e-05 -3.95e-05 -1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.447400555599999e-14 5.9280535458e-15 -1.119921467166e-13 ] [ 2.38724318466e-14 -5.19105229416e-14 1.11351276063e-13 ] [ -4.75846460298e-14 -8.010883169999999e-16 7.64238254418e-14 ] [ -9.052297982099998e-14 1.102297524192e-13 -5.447400555599999e-14 ] [ 5.97611884482e-14 -6.328597704299999e-14 -2.14691668956e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.808942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.693089411466122e-18 } }