{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3218182 -2.5129486 2.9695332 ] [ 5.8661658 0.0964872 0.1401819 ] [ -5.0780517 -0.7204723 -7.0650304 ] [ 6.0218695 1.7276408 5.1855811 ] [ 4.4637916 -2.5306531 3.9640225 ] [ -5.9381842 2.2766548 -0.4688742 ] [ -4.0137729 1.6632912 -4.7254141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.117786216987939e-09 -4.026187496192091e-09 4.75771666772941e-09 ] [ 9.398633698496529e-09 1.545895360464538e-10 2.245961628393235e-10 ] [ -8.135935712953695e-09 -1.154323874994004e-09 -1.131942653212127e-08 ] [ 9.648098526408586e-09 2.767985698900209e-09 8.308216803682347e-09 ] [ 7.151782541643426e-09 -4.054553232175044e-09 6.351064173825168e-09 ] [ -9.514019895243951e-09 3.6476030941921e-09 -7.512192813363035e-10 ] [ -6.430773101580618e-09 2.664886274222377e-09 -7.570947994618674e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7661207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.564705026145093e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3837162 3.2684581 4.0050489 ] [ 5.1099926 7.1666971 -0.1320167 ] [ 0.612367 1.9235208 2.2658941 ] [ 2.278514 4.4036774 4.0888876 ] [ 2.6283041 2.3812368 1.4836651 ] [ 4.9527021 5.5809712 1.375143 ] [ 3.6688029 4.1059715 2.395931 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.837162e-11 3.2684581e-10 4.0050489e-10 ] [ 5.1099926e-10 7.1666971e-10 -1.320167e-11 ] [ 6.123670000000001e-11 1.9235208e-10 2.2658941e-10 ] [ 2.278514e-10 4.403677400000001e-10 4.0888876e-10 ] [ 2.6283041e-10 2.3812368e-10 1.4836651e-10 ] [ 4.9527021e-10 5.5809712e-10 1.375143e-10 ] [ 3.6688029e-10 4.1059715e-10 2.395931e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1833232 0.0944459 0.0788699 ] [ 0.1020154 0.143069 -0.1065565 ] [ 0.1925468 -0.0309504 -0.0623366 ] [ -0.4716519 -0.0446325 0.3165877 ] [ -0.3970362 -0.3619546 -0.1014814 ] [ -0.1574246 -0.294837 0.2283404 ] [ 0.5482273 0.4948596 -0.3534234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.937161450902426e-10 1.513190129104147e-10 1.263635098648339e-10 ] [ 1.634466888415603e-10 2.292218069612352e-10 -1.707223330942752e-10 ] [ 3.084939813698534e-10 -4.958800728440832e-11 -9.987424314016127e-11 ] [ -7.556696473358995e-10 -7.1509148027856e-11 5.072294113728442e-10 ] [ -6.361221172512729e-10 -5.799151979110158e-10 -1.625911265260531e-10 ] [ -2.522220136587917e-10 -4.723809483468096e-10 3.658416504641203e-10 ] [ 8.783569629443079e-10 7.928524816984397e-10 -5.662467087236468e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.402722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.628005770588182e-18 } }