{ "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" [ [ 0.0409622 2.87289 0.6143003 ] [ 0.4467191 2.12103 2.019138 ] [ 1.9155 0.4332474 1.113336 ] [ 2.832667 2.287938 0.2396185 ] [ 2.613397 2.701371 2.225579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.09622e-12 2.87289e-10 6.143003e-11 ] [ 4.467191e-11 2.12103e-10 2.019138e-10 ] [ 1.9155e-10 4.332474e-11 1.113336e-10 ] [ 2.832667e-10 2.287938e-10 2.396185e-11 ] [ 2.613397e-10 2.701371e-10 2.225579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3230981 1.9844213 -2.8386814 ] [ -1.8781809 -0.9157391 3.2203036 ] [ 0.237888 -3.2755566 -0.2041019 ] [ 2.0184951 0.6938464 -2.7808313 ] [ 1.944896 1.513028 2.6033109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.722013463644901e-09 3.179393412677543e-09 -4.548068972979813e-09 ] [ -3.009177527613103e-09 -1.467175776772433e-09 5.159495139798075e-09 ] [ 3.811385919688704e-10 -5.248020204627137e-09 -3.270072924408595e-10 ] [ 3.233985658419358e-09 1.111664480506245e-09 -4.455382895248871e-09 ] [ 3.116066901087437e-09 2.424138088215782e-09 4.170963860653807e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 10.974559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.758318185339023e-18 } "relaxed-configuration-positions" { "source-value" [ [ -1.1330783 3.9242285 -0.9189593 ] [ -1.1928316 1.6066594 4.0685553 ] [ 2.0766118 -1.5540823 0.9680061 ] [ 4.1959478 2.7858953 -1.664398 ] [ 3.9025955 3.6537756 3.7587678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.1330783e-10 3.9242285e-10 -9.189593e-11 ] [ -1.1928316e-10 1.6066594e-10 4.0685553e-10 ] [ 2.0766118e-10 -1.5540823e-10 9.680061000000001e-11 ] [ 4.1959478e-10 2.7858953e-10 -1.664398e-10 ] [ 3.9025955e-10 3.6537756e-10 3.7587678e-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 ] ] "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 ] ] } "relaxed-potential-energy" { "source-value" 4.4408921e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.115093498115416e-35 } }