{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.966654 1.561504 1.979713 ] [ 1.215751 3.296566 1.975446 ] [ 1.823708 4.192867 4.123573 ] [ 5.205541 2.34853 2.95907 ] [ 3.135824 2.260061 4.318186 ] [ 3.662306 3.63962 2.333021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966654e-10 1.561504e-10 1.979713e-10 ] [ 1.215751e-10 3.296566e-10 1.975446e-10 ] [ 1.823708e-10 4.192867e-10 4.123573e-10 ] [ 5.205541e-10 2.34853e-10 2.95907e-10 ] [ 3.135824e-10 2.260061e-10 4.318186e-10 ] [ 3.662306e-10 3.63962e-10 2.333021e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2119469 -10.6414704 -6.2103724 ] [ -5.1842601 -0.5556379 -1.1255041 ] [ -3.2796666 3.5113353 3.5459731 ] [ 8.4151101 -4.4809243 2.6342528 ] [ -1.4047855 -4.4085611 9.5422499 ] [ 4.6655489 16.5752584 -8.3865993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.146106230431035e-09 -1.704951508581522e-08 -9.950113465741585e-09 ] [ -8.30610032836627e-09 -8.902300530104084e-10 -1.803256355634545e-09 ] [ -5.254605150538625e-09 5.625779325449754e-09 5.681275198805701e-09 ] [ 1.348249266367795e-08 -7.179232153034605e-09 4.220538249436938e-09 ] [ -2.250714485338838e-09 -7.063293525788331e-09 1.528836969961114e-08 ] [ 7.475033370779158e-09 2.655649149219881e-08 -1.343681332647765e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.3637027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.389245825261837e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3111147 1.1475444 1.2193525 ] [ 1.2439137 2.5933488 1.7229592 ] [ 1.8837645 4.3051539 4.7982669 ] [ 5.4758997 2.5823342 2.7419844 ] [ 2.5861815 2.5895573 5.0132714 ] [ 4.50891 4.0812093 2.1931746 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3111147e-10 1.1475444e-10 1.2193525e-10 ] [ 1.2439137e-10 2.5933488e-10 1.7229592e-10 ] [ 1.8837645e-10 4.3051539e-10 4.7982669e-10 ] [ 5.4758997e-10 2.5823342e-10 2.7419844e-10 ] [ 2.5861815e-10 2.5895573e-10 5.0132714e-10 ] [ 4.50891e-10 4.0812093e-10 2.1931746e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -32.352436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431658512826e-18 } }