{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6639263 -0.1278932 -1.9751499 ] [ -0.8996236 -3.5780686 -1.376326 ] [ -7.0492308 0.0918336 4.1587352 ] [ -10.6287186 7.6096153 -3.3219274 ] [ 4.4024924 -6.2510089 6.8534724 ] [ 7.6746568 -6.6267916 -11.5706587 ] [ 7.1643501 8.8823134 7.2318545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.063727195794247e-09 -2.049074949992986e-10 -3.164538992355458e-09 ] [ -1.441355899439931e-09 -5.732697858538587e-09 -2.205117339799181e-09 ] [ -1.129411278238328e-08 1.471336469238989e-10 6.663028309538012e-09 ] [ -1.70290844499821e-08 1.219194772694198e-08 -5.32231441627493e-09 ] [ 7.053570396529681e-09 -1.001522031599273e-08 1.098047325057807e-08 ] [ 1.229615569762374e-08 -1.061729057243382e-08 -1.853823885639612e-08 ] [ 1.147855423344614e-08 1.423103486809856e-08 1.158670820492727e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.702188 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.035114864660631e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8582153 3.2882779 1.0849527 ] [ 1.9506118 1.3784118 2.6959025 ] [ 1.0492052 3.0106489 4.3616231 ] [ 1.4537647 4.8867985 2.870506 ] [ 3.4939491 2.5241149 4.5563247 ] [ 4.1329943 2.7435044 1.9680666 ] [ 3.8118475 4.7387566 3.4402177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8582153e-10 3.2882779e-10 1.0849527e-10 ] [ 1.9506118e-10 1.3784118e-10 2.6959025e-10 ] [ 1.0492052e-10 3.0106489e-10 4.3616231e-10 ] [ 1.4537647e-10 4.886798500000001e-10 2.870506e-10 ] [ 3.4939491e-10 2.5241149e-10 4.556324700000001e-10 ] [ 4.1329943e-10 2.7435044e-10 1.9680666e-10 ] [ 3.8118475e-10 4.7387566e-10 3.4402177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.29e-05 2.3e-05 -6.4e-06 ] [ 1.23e-05 -1.56e-05 -7e-07 ] [ 4.4e-06 -8.7e-06 -3.15e-05 ] [ 2.76e-05 -1.38e-05 1.39e-05 ] [ -1.12e-05 3.2e-06 4.78e-05 ] [ -5.6e-06 -2.5e-06 -1.1e-06 ] [ 5.4e-06 1.44e-05 -2.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.271161082432e-14 3.68500622784e-14 -1.025393037312e-14 ] [ 1.970677243584e-14 -2.499395528448e-14 -1.12152363456e-15 ] [ 7.04957713152e-15 -1.393893660096e-14 -5.04685635552e-14 ] [ 4.422007473408001e-14 -2.211003736704e-14 2.227025502912e-14 ] [ -1.794437815296e-14 5.126965186560001e-15 7.658404247424001e-14 ] [ -8.972189076479999e-15 -4.005441552e-15 -1.76239428288e-15 ] [ 8.65175375232e-15 2.307134333952e-14 -3.52478856576e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }