{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.701503 -0.6944073 -0.4850433 ] [ 0.5087589 -1.1691549 0.4386014 ] [ -0.5759487 0.3730671 -0.0318788 ] [ -2.4763713 1.3585187 -0.1788727 ] [ 1.8420581 0.1319764 0.2571935 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.123931706021063e-09 -1.112563141372852e-09 -7.771250353356806e-10 ] [ 8.151216152039252e-10 -1.873192646873762e-09 7.027169089301491e-10 ] [ -9.227715419201529e-10 5.977193856096557e-10 -5.107546805915904e-11 ] [ -3.967584201280103e-09 2.176586900059609e-09 -2.865856580393721e-10 ] [ 2.951302421975268e-09 2.114495025773491e-10 4.120694127217249e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.710094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.036381545497036e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1914527 2.0819641 1.6137781 ] [ 1.9184089 1.9588476 4.0420594 ] [ 1.6130105 5.085941 2.9336532 ] [ 0.3168873 3.1431618 2.6894121 ] [ 3.4068882 3.5758685 3.0588023 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1914527e-10 2.0819641e-10 1.6137781e-10 ] [ 1.9184089e-10 1.9588476e-10 4.042059400000001e-10 ] [ 1.6130105e-10 5.085941000000001e-10 2.9336532e-10 ] [ 3.168873e-11 3.1431618e-10 2.6894121e-10 ] [ 3.4068882e-10 3.5758685e-10 3.0588023e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.1e-06 5.1e-06 6.6e-06 ] [ -4.8e-06 9e-07 -2.5e-06 ] [ -2e-06 -8.9e-06 0.0 ] [ -4.4e-06 2.1e-06 1e-06 ] [ 8e-06 8e-07 -5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.96674752448e-15 8.17110076608e-15 1.057436569728e-14 ] [ -7.69044777984e-15 1.44195895872e-15 -4.005441552e-15 ] [ -3.2043532416e-15 -1.425937192512e-14 0.0 ] [ -7.04957713152e-15 3.36457090368e-15 1.6021766208e-15 ] [ 1.28174129664e-14 1.28174129664e-15 -8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.214602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.277430299837692e-18 } }