{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.4260359 4.2505046 -2.0049411 ] [ -1.7590266 2.6340847 3.5107032 ] [ -5.7992413 -3.8942726 0.6598675 ] [ -1.5629355 -3.5126278 2.5750794 ] [ -0.6151547 -0.5221807 0.4488721 ] [ 5.4063306 1.8439889 1.1607935 ] [ -1.0960084 -0.7994971 -6.3503747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.693467862601486e-09 6.810059096722857e-09 -3.212269756501035e-09 ] [ -2.818271293885313e-09 4.220268923546982e-09 5.624766589607747e-09 ] [ -9.2914088292378e-09 -6.23931251474203e-09 1.057224281325744e-09 ] [ -2.504098717918358e-09 -5.627850138732139e-09 4.125732011383692e-09 ] [ -9.855864785152378e-10 -8.366257093729786e-10 7.191723843493997e-10 ] [ 8.661896491635637e-09 2.954395904594709e-09 1.859796207276605e-09 ] [ -1.755999034680415e-09 -1.2809355620174e-09 -1.017442187765981e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.112872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.222437329554294e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8897277 1.7760395 3.4369353 ] [ 2.9228336 6.0425729 2.3508395 ] [ 2.5991799 3.5784049 1.7073994 ] [ 4.5845038 2.040931 1.5700178 ] [ 5.2165465 2.6420282 3.9505721 ] [ 4.9285883 4.4453501 2.2216045 ] [ 3.2319232 4.1801645 4.0906044 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8897277e-10 1.7760395e-10 3.4369353e-10 ] [ 2.9228336e-10 6.0425729e-10 2.3508395e-10 ] [ 2.5991799e-10 3.5784049e-10 1.7073994e-10 ] [ 4.5845038e-10 2.040931e-10 1.5700178e-10 ] [ 5.2165465e-10 2.6420282e-10 3.9505721e-10 ] [ 4.928588300000001e-10 4.4453501e-10 2.2216045e-10 ] [ 3.2319232e-10 4.1801645e-10 4.0906044e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.83e-05 5.37e-05 -3.57e-05 ] [ -1.47e-05 2.6e-06 -4.7e-06 ] [ 3.1e-06 -4.96e-05 3.15e-05 ] [ -1.07e-05 -7.5e-06 2.41e-05 ] [ -5.76e-05 2.2e-06 -5.86e-05 ] [ 3.34e-05 -4.4e-06 3.28e-05 ] [ 8.2e-06 3.1e-06 1.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.136336457664001e-14 8.603688453696e-14 -5.719770536256001e-14 ] [ -2.355199632576e-14 4.16565921408e-15 -7.53023011776e-15 ] [ 4.96674752448e-15 -7.946796039168e-14 5.04685635552e-14 ] [ -1.714328984256e-14 -1.2016324656e-14 3.861245656128e-14 ] [ -9.228537335808e-14 3.52478856576e-15 -9.388754997888e-14 ] [ 5.351269913472e-14 -7.04957713152e-15 5.255139316223999e-14 ] [ 1.313784829056e-14 4.96674752448e-15 1.714328984256e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682643873984e-18 } }