{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9914019 -3.0226137 1.3092141 ] [ -0.1016095 0.3248896 -1.5471179 ] [ 3.4054955 -2.3018613 2.2814239 ] [ -0.8362057 0.7957985 -4.606605 ] [ 2.5237215 4.2037869 2.563085 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.997107495083204e-09 -4.842761043748285e-09 2.097592239923339e-09 ] [ -1.62796366692423e-10 5.205305257496064e-10 -2.478756149423148e-09 ] [ 5.456205317292146e-09 -3.687988389568864e-09 3.655244064829153e-09 ] [ -1.339749233757614e-09 1.275009762072249e-09 -7.38059489306757e-09 ] [ 4.043447618023431e-09 6.735209145495294e-09 4.106514897955889e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.184531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.952177086444865e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.427231 0.3007207 2.3778652 ] [ 0.0269315 1.7354344 0.5562506 ] [ 2.7337558 0.6792624 2.3751218 ] [ 2.2792055 2.3084428 0.3066448 ] [ 3.5852787 2.9235989 2.229926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.27231e-11 3.007207e-11 2.3778652e-10 ] [ 2.69315e-12 1.7354344e-10 5.562506e-11 ] [ 2.7337558e-10 6.792624e-11 2.3751218e-10 ] [ 2.2792055e-10 2.3084428e-10 3.066448e-11 ] [ 3.5852787e-10 2.9235989e-10 2.229926e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.75e-05 5.9e-06 6.9e-06 ] [ 3.71e-05 1.16e-05 1.1e-05 ] [ 1.7e-05 -6.04e-05 1.98e-05 ] [ -6.4e-06 1.82e-05 -2.11e-05 ] [ -3.02e-05 2.46e-05 -1.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8038091095e-14 9.452842140600001e-15 1.10550187746e-14 ] [ 5.94407531214e-14 1.85852489544e-14 1.7623942974e-14 ] [ 2.723700277799999e-14 -9.677146869359998e-14 3.17230973532e-14 ] [ -1.02539304576e-14 2.915961473879999e-14 -3.38059269774e-14 ] [ -4.838573434679999e-14 3.94135451964e-14 -2.62756967976e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.844323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.378322745814878e-18 } }