{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1546907 -5.0540966 -2.5214492 ] [ -5.2336116 2.0113648 0.3522938 ] [ -5.2340467 -3.6940898 1.1278141 ] [ 3.0090653 -1.9216968 0.123594 ] [ 3.3873507 -2.6893576 1.5038208 ] [ 6.144209 4.5938518 -3.501585 ] [ 2.0817241 6.7540242 2.9155115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.656548306195186e-09 -8.09755541178477e-09 -4.039806958774864e-09 ] [ -8.385170147867681e-09 3.222561658460068e-09 5.644368900127911e-10 ] [ -8.385867254915391e-09 -5.918584312695748e-09 1.806957383628593e-09 ] [ 4.821054074120538e-09 -3.078897685226174e-09 1.980194172711552e-10 ] [ 5.427134097990515e-09 -4.308825871690798e-09 2.409386527632752e-09 ] [ 9.844108013108947e-09 7.360161953379998e-09 -5.610157622743969e-09 ] [ 3.335289683975922e-09 1.082113966955742e-08 4.67116436297354e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.814645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.533785448525162e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3349762 2.3765096 0.620177 ] [ 1.9263891 4.8151317 0.9909063 ] [ 2.0161217 3.0567947 3.0048934 ] [ 4.7430885 2.6696374 0.7688342 ] [ 4.501108 2.8440824 3.1808976 ] [ 4.3875151 5.069993 0.6313917 ] [ 3.6373964 5.1844752 3.0137385 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3349762e-10 2.3765096e-10 6.20177e-11 ] [ 1.9263891e-10 4.815131700000001e-10 9.909063e-11 ] [ 2.0161217e-10 3.0567947e-10 3.0048934e-10 ] [ 4.7430885e-10 2.6696374e-10 7.688342000000001e-11 ] [ 4.501108000000001e-10 2.8440824e-10 3.180897600000001e-10 ] [ 4.3875151e-10 5.069993e-10 6.313917e-11 ] [ 3.6373964e-10 5.1844752e-10 3.0137385e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.6e-06 -5.54e-05 -9.7e-06 ] [ 9.6e-06 3.37e-05 4.08e-05 ] [ -2.43e-05 -2.2e-06 6.7e-06 ] [ 3.06e-05 -1.01e-05 1.17e-05 ] [ -1.34e-05 -2.32e-05 -5.1e-06 ] [ 2e-06 4.19e-05 -2.93e-05 ] [ 1.1e-06 1.52e-05 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.972189076479999e-15 -8.876058479231999e-14 -1.554111322176e-14 ] [ 1.538089555968e-14 5.399335212096e-14 6.536880612864e-14 ] [ -3.893289188544e-14 -3.52478856576e-15 1.073458335936e-14 ] [ 4.902660459647999e-14 -1.618198387008e-14 1.874546646336e-14 ] [ -2.146916671872e-14 -3.717049760256e-14 -8.17110076608e-15 ] [ 3.2043532416e-15 6.713120041152e-14 -4.694377498944e-14 ] [ 1.76239428288e-15 2.435308463616e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }