{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.1568298 -9.8544165 -2.3661423 ] [ -6.8672251 7.6877862 -6.1153659 ] [ 0.7213848 -1.0546134 7.4399406 ] [ -1.8684249 5.3563369 2.0433819 ] [ 2.7278321 -1.7317488 -1.3228316 ] [ 0.3438831 -0.2462936 1.3026957 ] [ -1.2142797 -0.1570508 -0.9816783 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.864328845074892e-09 -1.578851585800406e-08 -3.790977905779018e-09 ] [ -1.100250759563831e-08 1.231719141682765e-08 -9.797896353340377e-09 ] [ 1.155785870682763e-09 -1.689676947383295e-09 1.192009898766794e-08 ] [ -2.993546717163786e-09 8.581797825011993e-09 3.273858734518524e-09 ] [ 4.370468852095152e-09 -2.774567463317539e-09 -2.119409880236834e-09 ] [ 5.509614676474854e-10 -3.946058510237424e-10 2.087148611752273e-09 ] [ -1.94549056248053e-09 -2.516231221110072e-10 -1.572822034364842e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.728981 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.680278246882995e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1357144 1.3885824 2.0138365 ] [ 1.2780806 3.1370858 1.8908662 ] [ 1.9172037 2.3696783 4.1124878 ] [ 2.8787376 4.7378039 3.0837952 ] [ 5.0227349 3.1257575 2.5982264 ] [ 3.4144972 3.6290135 0.8372665 ] [ 4.0087546 3.4063736 4.7953581 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1357144e-10 1.3885824e-10 2.0138365e-10 ] [ 1.2780806e-10 3.1370858e-10 1.8908662e-10 ] [ 1.9172037e-10 2.3696783e-10 4.1124878e-10 ] [ 2.8787376e-10 4.737803900000001e-10 3.0837952e-10 ] [ 5.0227349e-10 3.1257575e-10 2.5982264e-10 ] [ 3.4144972e-10 3.6290135e-10 8.372665000000001e-11 ] [ 4.0087546e-10 3.4063736e-10 4.7953581e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0213505 -0.0390134 -0.070582 ] [ 0.0103898 -0.0105866 0.009075 ] [ 0.1062589 0.0349522 -0.0473709 ] [ -0.0284669 0.0019186 0.0092129 ] [ -0.0976586 -0.0571697 0.0451305 ] [ 0.0152464 0.0112837 0.0196471 ] [ 0.015581 0.0586153 0.0348875 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.4207272224217e-11 -6.250635789289559e-11 -1.13084831180988e-10 ] [ 1.66462947919332e-11 -1.69616031535044e-11 1.453975295355e-11 ] [ 1.702455267345426e-10 5.599959814689479e-11 -7.58965491115506e-11 ] [ -4.560900202241459e-11 3.0739360899924e-12 1.47606931113786e-11 ] [ -1.564663270291524e-10 -9.159595751278978e-11 7.230703258073699e-11 ] [ 2.44274258326176e-11 1.80784804850658e-11 3.14781245458614e-11 ] [ 2.4963514134354e-11 9.391206405490019e-11 5.589593731867499e-11 ] ] } "relaxed-potential-energy" { "source-value" -22.094279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.539893755887688e-18 } }